# Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2003 data_global _journal_name_full Chem.Commun. _journal_coden_Cambridge 0182 loop_ _publ_author_name 'Zhong-Ning Chen' 'Zen Ma' 'Lin-Xi Shi' 'Qiao-Hua Wei' 'Gang-Qiang Yin' _publ_contact_author_name 'Prof Zhong-Ning Chen' _publ_contact_author_address ; Chinese Academy of Science Fujian Institute of Research on the Structure of Matter No.155, Yangqiao Xilu Fuzhou 350002 CHINA ; _publ_contact_author_email CZN@MS.FJIRSM.AC.CN _publ_section_title ; Luminescent heterohexanuclear complexes with platinum alkynyl and silver diphosphine as components ; _publ_section_references ; Sheldrick G.M.(1996), SADABS, Absorption Correction Program, University of Goeltingen, German Siemens(1994), SAINT Software Reference Manual, Siemens Energy & Automation Inc., Madison, Wisconsin, USA Siemens(1996), SMART Software Reference Manual, Siemens Energy & Automation Inc., Madison, Wisconsin, USA Siemens(1994), SHELXTL^TM^ Version 5 Reference Manual, Siemens Energy & Automation Inc., Madison, Wisconsin, USA Sheldrick G.M.(1997), The SHELX-97 Manual ; data_1 #(complex 1) _database_code_CSD 210710 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C129 H114 Ag4 N4 O6 P8 Pt2' _chemical_formula_weight 2885.66 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1)/n loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 18.5759(3) _cell_length_b 22.4019(3) _cell_length_c 29.97010(10) _cell_angle_alpha 90.00 _cell_angle_beta 103.8360(10) _cell_angle_gamma 90.00 _cell_volume 12109.7(3) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 7654 _cell_measurement_theta_min 1.15 _cell_measurement_theta_max 22.50 _exptl_crystal_description prism _exptl_crystal_colour red _exptl_crystal_size_max .68 _exptl_crystal_size_mid .60 _exptl_crystal_size_min .36 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.583 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 5712 _exptl_absorpt_coefficient_mu 3.097 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min .6084 _exptl_absorpt_correction_T_max 1.0000 _exptl_absorpt_process_details 'SADABS (Sheldrick, 1996)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Siemens SMART CCD' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number none _diffrn_standards_interval_count none _diffrn_standards_interval_time none _diffrn_standards_decay_% none _diffrn_reflns_number 30665 _diffrn_reflns_av_R_equivalents 0.0546 _diffrn_reflns_av_sigmaI/netI 0.0600 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 20 _diffrn_reflns_limit_k_min -24 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min -31 _diffrn_reflns_limit_l_max 32 _diffrn_reflns_theta_min 1.15 _diffrn_reflns_theta_max 22.50 _reflns_number_total 15810 _reflns_number_gt 11380 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Siemens SMART' _computing_cell_refinement 'Siemens SMART & SAINT' _computing_data_reduction 'Siemens XPREP' _computing_structure_solution 'Siemens SHELXTL' _computing_structure_refinement 'Siemens SHELXTL' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w==1/[\s^2^(Fo^2^)+(0.0514P)^2^+224.1118P] where P==(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 15810 _refine_ls_number_parameters 1373 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.1116 _refine_ls_R_factor_gt 0.0681 _refine_ls_wR_factor_ref 0.2030 _refine_ls_wR_factor_gt 0.1596 _refine_ls_goodness_of_fit_ref 1.276 _refine_ls_restrained_S_all 1.276 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Pt1 Pt 1.01129(3) 0.24901(3) 0.33646(2) 0.03706(19) Uani 1 1 d . . . Pt2 Pt 1.08333(3) 0.27294(3) 0.25295(2) 0.03663(19) Uani 1 1 d . . . Ag1 Ag 0.89981(8) 0.19345(7) 0.37591(5) 0.0586(4) Uani 1 1 d . . . Ag2 Ag 1.03346(8) 0.26889(6) 0.43573(5) 0.0542(4) Uani 1 1 d . . . Ag3 Ag 1.06796(8) 0.25121(7) 0.15456(5) 0.0596(4) Uani 1 1 d . . . Ag4 Ag 1.20713(8) 0.33072(7) 0.22542(5) 0.0570(4) Uani 1 1 d . . . P2 P 1.1478(2) 0.18309(19) 0.27264(15) 0.0402(10) Uani 1 1 d . . . P1 P 1.1067(2) 0.17806(19) 0.36127(15) 0.0410(10) Uani 1 1 d . . . P4 P 1.0140(2) 0.36124(19) 0.24108(15) 0.0410(10) Uani 1 1 d . . . P3 P 0.9237(2) 0.32217(19) 0.30344(14) 0.0385(10) Uani 1 1 d . . . P5 P 0.8557(3) 0.1940(2) 0.44423(17) 0.0547(13) Uani 1 1 d . . . P6 P 0.9912(3) 0.2404(2) 0.50048(16) 0.0521(12) Uani 1 1 d . . . P7 P 1.2432(3) 0.3488(2) 0.15631(18) 0.0565(13) Uani 1 1 d . . . P8 P 1.1475(3) 0.2599(2) 0.10358(18) 0.0608(14) Uani 1 1 d . . . O1 O 0.9412(13) 0.0841(19) 0.0537(15) 0.32(3) Uani 1 1 d D . . O2 O 1.633(2) 0.4785(12) 0.3978(16) 0.44(4) Uani 1 1 d . . . O3 O 1.6124(15) 0.3952(14) 0.3111(10) 0.204(13) Uani 1 1 d . . . O4 O 0.5836(13) 0.1214(16) 0.3223(11) 0.209(14) Uani 1 1 d . . . O5 O 0.5547(15) 0.1015(18) 0.250(2) 0.39(4) Uani 1 1 d . . . O6 O 0.526(3) 0.063(2) 0.3647(17) 0.34(2) Uiso 1 1 d . . . N1 N 1.1544(7) 0.1648(6) 0.3246(4) 0.040(3) Uani 1 1 d . . . N2 N 0.9436(7) 0.3612(6) 0.2631(5) 0.045(3) Uani 1 1 d . . . N3 N 0.9102(8) 0.2084(7) 0.4924(5) 0.060(4) Uani 1 1 d . . . N4 N 1.2160(9) 0.3062(7) 0.1133(5) 0.064(5) Uani 1 1 d . . . C01 C 0.9441(19) 0.0250(17) 0.0370(11) 0.30(4) Uani 1 1 d D . . C11 C 0.9443(9) 0.1814(9) 0.3107(5) 0.049(5) Uani 1 1 d . . . C12 C 0.8983(10) 0.1412(9) 0.3010(6) 0.051(5) Uani 1 1 d . . . C13 C 0.8552(11) 0.0873(9) 0.2905(6) 0.056(5) Uani 1 1 d . . . C14 C 0.7823(12) 0.0899(11) 0.2733(9) 0.090(8) Uani 1 1 d . . . H14F H 0.7584 0.1265 0.2669 0.109 Uiso 1 1 calc R . . C15 C 0.7417(15) 0.0359(15) 0.2648(11) 0.124(11) Uani 1 1 d . . . H15F H 0.6906 0.0378 0.2533 0.149 Uiso 1 1 calc R . . C16 C 0.7731(19) -0.0165(12) 0.2724(12) 0.125(12) Uani 1 1 d . . . H16F H 0.7458 -0.0514 0.2649 0.150 Uiso 1 1 calc R . . C17 C 0.845(2) -0.0180(14) 0.2913(11) 0.128(11) Uani 1 1 d . . . H17F H 0.8683 -0.0548 0.2984 0.153 Uiso 1 1 calc R . . C18 C 0.8869(14) 0.0336(11) 0.3006(10) 0.104(9) Uani 1 1 d . . . H18F H 0.9374 0.0311 0.3139 0.124 Uiso 1 1 calc R . . C21 C 1.0691(9) 0.3126(7) 0.3749(6) 0.043(4) Uani 1 1 d . . . C22 C 1.0959(9) 0.3506(8) 0.4039(6) 0.047(4) Uani 1 1 d . . . C23 C 1.1282(10) 0.3977(8) 0.4362(5) 0.048(4) Uani 1 1 d . . . C24 C 1.1985(11) 0.3918(10) 0.4630(7) 0.074(6) Uani 1 1 d . . . H23F H 1.2263 0.3578 0.4611 0.088 Uiso 1 1 calc R . . C25 C 1.2271(14) 0.4373(12) 0.4927(7) 0.082(7) Uani 1 1 d . . . H24F H 1.2737 0.4326 0.5123 0.099 Uiso 1 1 calc R . . C26 C 1.1892(17) 0.4893(11) 0.4944(8) 0.087(8) Uani 1 1 d . . . H25F H 1.2105 0.5208 0.5132 0.104 Uiso 1 1 calc R . . C27 C 1.1200(15) 0.4929(9) 0.4678(8) 0.076(6) Uani 1 1 d . . . H26F H 1.0921 0.5266 0.4702 0.091 Uiso 1 1 calc R . . C28 C 1.0891(11) 0.4497(9) 0.4377(7) 0.062(5) Uani 1 1 d . . . H27A H 1.0423 0.4550 0.4184 0.074 Uiso 1 1 calc R . . C31 C 0.9970(11) 0.2353(7) 0.2055(6) 0.049(5) Uani 1 1 d . . . C32 C 0.9505(9) 0.2130(8) 0.1778(6) 0.049(5) Uani 1 1 d . . . C33 C 0.8839(10) 0.1869(9) 0.1511(6) 0.056(5) Uani 1 1 d . . . C34 C 0.8523(12) 0.1375(10) 0.1686(7) 0.075(6) Uani 1 1 d . . . H33A H 0.8748 0.1202 0.1966 0.089 Uiso 1 1 calc R . . C35 C 0.7863(13) 0.1160(12) 0.1420(10) 0.095(8) Uani 1 1 d . . . H34A H 0.7642 0.0838 0.1531 0.114 Uiso 1 1 calc R . . C36 C 0.7524(15) 0.1386(15) 0.1015(10) 0.106(9) Uani 1 1 d . . . H35A H 0.7083 0.1219 0.0849 0.127 Uiso 1 1 calc R . . C37 C 0.7813(18) 0.1850(15) 0.0849(10) 0.118(10) Uani 1 1 d . . . H36A H 0.7575 0.2003 0.0563 0.142 Uiso 1 1 calc R . . C38 C 0.8465(14) 0.2114(12) 0.1091(8) 0.090(7) Uani 1 1 d . . . H37A H 0.8651 0.2450 0.0975 0.108 Uiso 1 1 calc R . . C41 C 1.1704(9) 0.3128(8) 0.2911(5) 0.042(4) Uani 1 1 d . . . C42 C 1.2293(10) 0.3359(7) 0.3110(6) 0.042(4) Uani 1 1 d . . . C43 C 1.2967(10) 0.3578(7) 0.3417(6) 0.046(4) Uani 1 1 d . . . C44 C 1.3658(13) 0.3397(10) 0.3373(9) 0.084(7) Uani 1 1 d . . . H43A H 1.3698 0.3160 0.3125 0.100 Uiso 1 1 calc R . . C45 C 1.4305(13) 0.3570(14) 0.3704(11) 0.109(10) Uani 1 1 d . . . H44A H 1.4771 0.3429 0.3691 0.131 Uiso 1 1 calc R . . C46 C 1.4219(18) 0.3948(13) 0.4039(10) 0.107(10) Uani 1 1 d . . . H45A H 1.4638 0.4079 0.4253 0.128 Uiso 1 1 calc R . . C47 C 1.3553(17) 0.4142(11) 0.4073(9) 0.093(8) Uani 1 1 d . . . H46A H 1.3511 0.4390 0.4314 0.111 Uiso 1 1 calc R . . C48 C 1.2948(11) 0.3976(9) 0.3758(7) 0.063(5) Uani 1 1 d . . . H47A H 1.2494 0.4140 0.3771 0.075 Uiso 1 1 calc R . . C111 C 1.1142(11) 0.1158(8) 0.2384(7) 0.054(5) Uani 1 1 d . . . C112 C 1.0451(12) 0.0966(9) 0.2384(6) 0.063(5) Uani 1 1 d . . . H11A H 1.0148 0.1202 0.2518 0.075 Uiso 1 1 calc R . . C113 C 1.0188(15) 0.0430(11) 0.2192(8) 0.091(8) Uani 1 1 d . . . H11B H 0.9708 0.0314 0.2193 0.110 Uiso 1 1 calc R . . C114 C 1.0604(19) 0.0073(12) 0.2003(10) 0.113(10) Uani 1 1 d . . . H11C H 1.0417 -0.0285 0.1866 0.136 Uiso 1 1 calc R . . C115 C 1.1305(18) 0.0242(11) 0.2016(10) 0.113(10) Uani 1 1 d . . . H11D H 1.1615 -0.0012 0.1902 0.136 Uiso 1 1 calc R . . C116 C 1.1568(16) 0.0789(11) 0.2196(10) 0.106(9) Uani 1 1 d . . . H11E H 1.2044 0.0907 0.2187 0.128 Uiso 1 1 calc R . . C121 C 1.2432(9) 0.1889(7) 0.2681(6) 0.043(4) Uani 1 1 d . . . C122 C 1.3017(10) 0.1818(8) 0.3049(7) 0.057(5) Uani 1 1 d . . . H12A H 1.2929 0.1739 0.3336 0.068 Uiso 1 1 calc R . . C123 C 1.3724(12) 0.1860(10) 0.3007(9) 0.081(7) Uani 1 1 d . . . H12B H 1.4116 0.1811 0.3263 0.097 Uiso 1 1 calc R . . C124 C 1.3863(14) 0.1977(10) 0.2581(11) 0.093(9) Uani 1 1 d . . . H12C H 1.4350 0.1996 0.2552 0.111 Uiso 1 1 calc R . . C125 C 1.3315(13) 0.2061(9) 0.2218(9) 0.075(7) Uani 1 1 d . . . H12D H 1.3418 0.2164 0.1939 0.090 Uiso 1 1 calc R . . C126 C 1.2602(10) 0.1998(8) 0.2247(7) 0.058(5) Uani 1 1 d . . . H12E H 1.2221 0.2025 0.1982 0.070 Uiso 1 1 calc R . . C131 C 1.0756(10) 0.1054(8) 0.3770(7) 0.054(5) Uani 1 1 d . . . C132 C 1.0329(10) 0.0988(8) 0.4085(6) 0.057(5) Uani 1 1 d . . . H13A H 1.0173 0.1326 0.4217 0.068 Uiso 1 1 calc R . . C133 C 1.0128(12) 0.0433(9) 0.4209(8) 0.075(7) Uani 1 1 d . . . H13B H 0.9829 0.0398 0.4416 0.090 Uiso 1 1 calc R . . C134 C 1.0366(13) -0.0065(10) 0.4029(8) 0.082(7) Uani 1 1 d . . . H13C H 1.0237 -0.0440 0.4118 0.099 Uiso 1 1 calc R . . C135 C 1.0801(13) -0.0015(9) 0.3712(8) 0.078(7) Uani 1 1 d . . . H13D H 1.0969 -0.0354 0.3590 0.093 Uiso 1 1 calc R . . C136 C 1.0980(11) 0.0541(8) 0.3583(7) 0.063(5) Uani 1 1 d . . . H13E H 1.1258 0.0576 0.3364 0.075 Uiso 1 1 calc R . . C141 C 1.1759(8) 0.1973(8) 0.4118(5) 0.042(4) Uani 1 1 d . . . C142 C 1.2316(9) 0.2374(9) 0.4072(6) 0.058(5) Uani 1 1 d . . . H14A H 1.2288 0.2556 0.3789 0.069 Uiso 1 1 calc R . . C143 C 1.2901(11) 0.2504(10) 0.4434(7) 0.070(6) Uani 1 1 d . . . H14B H 1.3263 0.2770 0.4389 0.083 Uiso 1 1 calc R . . C144 C 1.2969(13) 0.2260(12) 0.4854(9) 0.086(7) Uani 1 1 d . . . H14C H 1.3364 0.2357 0.5098 0.103 Uiso 1 1 calc R . . C145 C 1.2424(16) 0.1853(13) 0.4909(7) 0.101(9) Uani 1 1 d . . . H14D H 1.2464 0.1671 0.5192 0.122 Uiso 1 1 calc R . . C146 C 1.1833(11) 0.1719(10) 0.4553(6) 0.067(6) Uani 1 1 d . . . H14E H 1.1474 0.1453 0.4601 0.080 Uiso 1 1 calc R . . C151 C 0.9750(10) 0.3746(8) 0.1797(6) 0.051(5) Uani 1 1 d . . . C152 C 1.0197(11) 0.3793(8) 0.1486(6) 0.056(5) Uani 1 1 d . . . H15A H 1.0710 0.3782 0.1592 0.067 Uiso 1 1 calc R . . C153 C 0.9879(12) 0.3856(10) 0.1014(6) 0.070(6) Uani 1 1 d . . . H15B H 1.0181 0.3869 0.0808 0.084 Uiso 1 1 calc R . . C154 C 0.9145(13) 0.3897(12) 0.0861(8) 0.087(7) Uani 1 1 d . . . H15C H 0.8937 0.3941 0.0548 0.105 Uiso 1 1 calc R . . C155 C 0.8700(13) 0.3874(11) 0.1163(7) 0.080(7) Uani 1 1 d . . . H15D H 0.8189 0.3899 0.1054 0.096 Uiso 1 1 calc R . . C156 C 0.9006(11) 0.3812(9) 0.1640(7) 0.065(6) Uani 1 1 d . . . H15E H 0.8700 0.3817 0.1844 0.078 Uiso 1 1 calc R . . C161 C 1.0659(9) 0.4291(7) 0.2614(6) 0.047(4) Uani 1 1 d . . . C162 C 1.0755(12) 0.4459(9) 0.3068(6) 0.067(6) Uani 1 1 d . . . H16A H 1.0555 0.4219 0.3260 0.080 Uiso 1 1 calc R . . C163 C 1.1125(12) 0.4954(9) 0.3243(7) 0.076(7) Uani 1 1 d . . . H16B H 1.1164 0.5051 0.3550 0.091 Uiso 1 1 calc R . . C164 C 1.1438(13) 0.5309(10) 0.2984(8) 0.080(7) Uani 1 1 d . . . H16C H 1.1682 0.5657 0.3105 0.096 Uiso 1 1 calc R . . C165 C 1.1391(15) 0.5151(11) 0.2534(9) 0.101(9) Uani 1 1 d . . . H16D H 1.1616 0.5387 0.2351 0.121 Uiso 1 1 calc R . . C166 C 1.1011(15) 0.4639(10) 0.2352(8) 0.095(8) Uani 1 1 d . . . H16E H 1.0993 0.4530 0.2050 0.114 Uiso 1 1 calc R . . C171 C 0.8307(9) 0.2930(7) 0.2770(6) 0.044(4) Uani 1 1 d . . . C172 C 0.8156(10) 0.2699(9) 0.2328(7) 0.062(5) Uani 1 1 d . . . H17A H 0.8533 0.2695 0.2172 0.074 Uiso 1 1 calc R . . C173 C 0.7474(12) 0.2478(9) 0.2112(7) 0.070(6) Uani 1 1 d . . . H17B H 0.7393 0.2324 0.1816 0.084 Uiso 1 1 calc R . . C174 C 0.6927(13) 0.2484(11) 0.2330(9) 0.086(7) Uani 1 1 d . . . H17C H 0.6457 0.2352 0.2180 0.103 Uiso 1 1 calc R . . C175 C 0.7054(14) 0.2685(15) 0.2776(11) 0.127(12) Uani 1 1 d . . . H17D H 0.6673 0.2684 0.2929 0.152 Uiso 1 1 calc R . . C176 C 0.7756(13) 0.2890(14) 0.2997(9) 0.114(11) Uani 1 1 d . . . H17E H 0.7850 0.3002 0.3305 0.137 Uiso 1 1 calc R . . C181 C 0.9030(9) 0.3773(7) 0.3433(6) 0.047(4) Uani 1 1 d . . . C182 C 0.8906(10) 0.4340(8) 0.3295(6) 0.054(5) Uani 1 1 d . . . H18A H 0.8960 0.4456 0.3007 0.064 Uiso 1 1 calc R . . C183 C 0.8696(13) 0.4756(9) 0.3586(8) 0.078(7) Uani 1 1 d . . . H18B H 0.8634 0.5154 0.3495 0.094 Uiso 1 1 calc R . . C184 C 0.8580(13) 0.4595(11) 0.3995(9) 0.089(8) Uani 1 1 d . . . H18C H 0.8420 0.4876 0.4178 0.107 Uiso 1 1 calc R . . C185 C 0.8700(13) 0.4008(10) 0.4146(7) 0.079(7) Uani 1 1 d . . . H18D H 0.8640 0.3891 0.4433 0.095 Uiso 1 1 calc R . . C186 C 0.8916(10) 0.3598(8) 0.3847(7) 0.060(5) Uani 1 1 d . . . H18E H 0.8982 0.3199 0.3933 0.072 Uiso 1 1 calc R . . C191 C 0.7732(12) 0.2423(9) 0.4366(7) 0.066(6) Uani 1 1 d . . . C192 C 0.7699(13) 0.2839(12) 0.4703(8) 0.086(7) Uani 1 1 d . . . H19A H 0.8086 0.2873 0.4964 0.104 Uiso 1 1 calc R . . C193 C 0.7062(18) 0.3214(13) 0.4643(12) 0.113(10) Uani 1 1 d . . . H19B H 0.7028 0.3497 0.4863 0.136 Uiso 1 1 calc R . . C194 C 0.652(2) 0.3153(18) 0.4269(13) 0.132(13) Uani 1 1 d . . . H19C H 0.6109 0.3402 0.4226 0.159 Uiso 1 1 calc R . . C195 C 0.6554(16) 0.2734(19) 0.3948(12) 0.142(14) Uani 1 1 d . . . H19D H 0.6157 0.2688 0.3694 0.170 Uiso 1 1 calc R . . C196 C 0.7173(14) 0.2378(14) 0.3996(9) 0.105(9) Uani 1 1 d . . . H19E H 0.7200 0.2104 0.3767 0.126 Uiso 1 1 calc R . . C201 C 0.8179(10) 0.1195(8) 0.4518(7) 0.055(5) Uani 1 1 d . . . C202 C 0.8232(13) 0.0971(10) 0.4942(8) 0.081(7) Uani 1 1 d . . . H20A H 0.8457 0.1193 0.5200 0.097 Uiso 1 1 calc R . . C203 C 0.7952(16) 0.0410(13) 0.4992(11) 0.114(10) Uani 1 1 d . . . H20B H 0.8022 0.0240 0.5282 0.137 Uiso 1 1 calc R . . C204 C 0.7566(18) 0.0104(12) 0.4607(14) 0.120(11) Uani 1 1 d . . . H20C H 0.7339 -0.0259 0.4637 0.144 Uiso 1 1 calc R . . C205 C 0.753(2) 0.0337(12) 0.4199(13) 0.134(12) Uani 1 1 d . . . H20D H 0.7276 0.0128 0.3940 0.161 Uiso 1 1 calc R . . C206 C 0.7845(14) 0.0882(10) 0.4142(8) 0.088(7) Uani 1 1 d . . . H20E H 0.7829 0.1028 0.3849 0.105 Uiso 1 1 calc R . . C211 C 0.9924(10) 0.3041(8) 0.5383(6) 0.055(5) Uani 1 1 d . . . C212 C 1.0301(12) 0.3552(8) 0.5333(7) 0.067(6) Uani 1 1 d . . . H21A H 1.0525 0.3590 0.5088 0.081 Uiso 1 1 calc R . . C213 C 1.0348(14) 0.4004(12) 0.5644(10) 0.097(8) Uani 1 1 d . . . H21B H 1.0592 0.4354 0.5601 0.117 Uiso 1 1 calc R . . C215 C 0.9692(16) 0.3448(13) 0.6070(8) 0.098(8) Uani 1 1 d . . . H21C H 0.9499 0.3405 0.6327 0.118 Uiso 1 1 calc R . . C216 C 1.0051(16) 0.3961(12) 0.6011(10) 0.101(9) Uani 1 1 d . . . H21D H 1.0092 0.4274 0.6220 0.122 Uiso 1 1 calc R . . C217 C 0.9608(12) 0.2991(10) 0.5755(7) 0.072(6) Uani 1 1 d . . . H21E H 0.9341 0.2651 0.5791 0.086 Uiso 1 1 calc R . . C221 C 1.0569(11) 0.1905(8) 0.5396(6) 0.056(5) Uani 1 1 d . . . C222 C 1.0471(13) 0.1304(10) 0.5325(9) 0.087(7) Uani 1 1 d . . . H22A H 1.0068 0.1163 0.5103 0.104 Uiso 1 1 calc R . . C223 C 1.0957(16) 0.0917(12) 0.5577(14) 0.116(11) Uani 1 1 d . . . H22B H 1.0907 0.0511 0.5513 0.139 Uiso 1 1 calc R . . C224 C 1.1521(19) 0.1113(14) 0.5925(11) 0.106(9) Uani 1 1 d . . . H22C H 1.1829 0.0840 0.6113 0.127 Uiso 1 1 calc R . . C225 C 1.1633(16) 0.1707(18) 0.5996(10) 0.123(11) Uani 1 1 d . . . H22D H 1.2032 0.1844 0.6223 0.148 Uiso 1 1 calc R . . C226 C 1.1145(14) 0.2110(13) 0.5727(9) 0.103(9) Uani 1 1 d . . . H22E H 1.1215 0.2518 0.5774 0.124 Uiso 1 1 calc R . . C231 C 1.3429(12) 0.3489(9) 0.1675(7) 0.064(5) Uani 1 1 d . . . C232 C 1.3852(15) 0.3638(13) 0.2094(10) 0.105(9) Uani 1 1 d . . . H23A H 1.3611 0.3746 0.2320 0.126 Uiso 1 1 calc R . . C233 C 1.4647(18) 0.3639(15) 0.2213(13) 0.130(11) Uani 1 1 d . . . H23B H 1.4917 0.3742 0.2505 0.156 Uiso 1 1 calc R . . C234 C 1.4984(18) 0.3479(14) 0.1872(16) 0.126(12) Uani 1 1 d . . . H23C H 1.5498 0.3452 0.1935 0.152 Uiso 1 1 calc R . . C235 C 1.4570(16) 0.3358(12) 0.1440(13) 0.105(10) Uani 1 1 d . . . H23D H 1.4808 0.3278 0.1207 0.126 Uiso 1 1 calc R . . C236 C 1.3799(13) 0.3352(9) 0.1342(9) 0.084(7) Uani 1 1 d . . . H23E H 1.3531 0.3254 0.1048 0.101 Uiso 1 1 calc R . . C241 C 1.2209(11) 0.4248(8) 0.1353(7) 0.059(6) Uani 1 1 d . . . C242 C 1.2380(14) 0.4720(10) 0.1668(9) 0.090(7) Uani 1 1 d . . . H24A H 1.2595 0.4634 0.1974 0.108 Uiso 1 1 calc R . . C243 C 1.2243(17) 0.5301(11) 0.1540(13) 0.106(10) Uani 1 1 d . . . H24B H 1.2361 0.5608 0.1754 0.128 Uiso 1 1 calc R . . C244 C 1.194(2) 0.5417(13) 0.1100(13) 0.117(11) Uani 1 1 d . . . H24C H 1.1836 0.5811 0.1006 0.141 Uiso 1 1 calc R . . C245 C 1.177(2) 0.4972(16) 0.0787(13) 0.156(15) Uani 1 1 d . . . H24D H 1.1550 0.5055 0.0480 0.187 Uiso 1 1 calc R . . C246 C 1.1916(19) 0.4402(12) 0.0931(10) 0.119(11) Uani 1 1 d . . . H24E H 1.1802 0.4100 0.0712 0.143 Uiso 1 1 calc R . . C251 C 1.1864(10) 0.1846(8) 0.0969(6) 0.053(5) Uani 1 1 d . . . C252 C 1.2512(13) 0.1780(11) 0.0885(9) 0.090(8) Uani 1 1 d . . . H25A H 1.2806 0.2110 0.0865 0.107 Uiso 1 1 calc R . . C253 C 1.2753(15) 0.1218(13) 0.0826(10) 0.101(9) Uani 1 1 d . . . H25B H 1.3218 0.1179 0.0764 0.122 Uiso 1 1 calc R . . C254 C 1.2376(17) 0.0728(14) 0.0850(10) 0.104(9) Uani 1 1 d . . . H25C H 1.2566 0.0351 0.0815 0.125 Uiso 1 1 calc R . . C255 C 1.171(2) 0.0804(10) 0.0928(14) 0.151(15) Uani 1 1 d . . . H25D H 1.1419 0.0472 0.0947 0.181 Uiso 1 1 calc R . . C256 C 1.1440(17) 0.1369(12) 0.0981(14) 0.156(17) Uani 1 1 d . . . H25E H 1.0964 0.1415 0.1025 0.187 Uiso 1 1 calc R . . C261 C 1.0947(15) 0.2745(14) 0.0445(8) 0.098(9) Uani 1 1 d . . . C262 C 1.0247(17) 0.257(3) 0.0277(12) 0.25(3) Uani 1 1 d . . . H26A H 1.0001 0.2356 0.0463 0.297 Uiso 1 1 calc R . . C263 C 0.990(3) 0.269(5) -0.0161(15) 0.42(8) Uani 1 1 d . . . H26B H 0.9397 0.2601 -0.0260 0.500 Uiso 1 1 calc R . . C264 C 1.018(3) 0.290(4) -0.0409(16) 0.32(6) Uani 1 1 d . . . H26C H 0.9931 0.2902 -0.0717 0.381 Uiso 1 1 calc R . . C265 C 1.088(3) 0.315(2) -0.0292(11) 0.20(3) Uani 1 1 d . . . H26D H 1.1074 0.3377 -0.0496 0.239 Uiso 1 1 calc R . . C266 C 1.126(2) 0.3045(13) 0.0157(10) 0.126(11) Uani 1 1 d . . . H26E H 1.1745 0.3183 0.0259 0.152 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Pt1 0.0403(4) 0.0354(4) 0.0384(4) -0.0012(3) 0.0152(3) -0.0001(3) Pt2 0.0375(4) 0.0366(4) 0.0382(4) -0.0024(3) 0.0137(3) -0.0009(3) Ag1 0.0581(9) 0.0705(10) 0.0550(9) -0.0076(7) 0.0287(7) -0.0083(7) Ag2 0.0653(9) 0.0585(9) 0.0443(8) 0.0034(7) 0.0237(7) -0.0133(7) Ag3 0.0629(9) 0.0690(10) 0.0563(9) -0.0116(8) 0.0327(7) -0.0041(7) Ag4 0.0635(9) 0.0663(10) 0.0493(9) -0.0028(7) 0.0293(7) -0.0111(7) P2 0.041(3) 0.041(3) 0.040(3) -0.004(2) 0.014(2) -0.0004(19) P1 0.044(3) 0.036(2) 0.046(3) 0.005(2) 0.017(2) 0.0062(19) P4 0.040(2) 0.043(3) 0.043(3) 0.003(2) 0.016(2) -0.0011(19) P3 0.042(2) 0.039(2) 0.036(2) 0.0004(19) 0.0129(19) 0.0043(19) P5 0.052(3) 0.067(3) 0.051(3) -0.001(2) 0.025(2) -0.008(2) P6 0.064(3) 0.054(3) 0.042(3) -0.001(2) 0.020(2) -0.013(2) P7 0.068(3) 0.055(3) 0.057(3) -0.005(2) 0.035(3) -0.009(2) P8 0.063(3) 0.070(4) 0.056(3) -0.016(3) 0.028(3) -0.010(3) O1 0.070(17) 0.43(6) 0.44(6) -0.25(5) 0.03(2) -0.11(3) O2 0.38(5) 0.13(2) 0.56(7) 0.17(3) -0.38(5) -0.17(3) O3 0.18(3) 0.23(3) 0.19(3) 0.05(2) 0.03(2) 0.08(2) O4 0.096(17) 0.28(4) 0.21(3) -0.08(3) -0.034(18) 0.02(2) O5 0.081(19) 0.28(4) 0.77(10) -0.16(5) 0.05(4) 0.08(2) N1 0.045(8) 0.042(8) 0.035(8) -0.003(6) 0.012(6) 0.001(6) N2 0.057(9) 0.035(8) 0.053(9) -0.003(6) 0.032(7) 0.006(6) N3 0.044(9) 0.088(12) 0.049(9) -0.001(8) 0.015(7) -0.023(8) N4 0.088(12) 0.062(10) 0.052(10) -0.016(8) 0.038(9) -0.028(9) C01 0.23(5) 0.61(10) 0.11(3) 0.16(5) 0.10(3) 0.34(6) C11 0.044(10) 0.078(14) 0.030(9) -0.003(9) 0.020(8) -0.002(10) C12 0.042(11) 0.065(13) 0.046(11) -0.005(9) 0.010(8) -0.001(10) C13 0.060(13) 0.054(13) 0.052(12) 0.015(10) 0.008(10) -0.008(10) C14 0.060(15) 0.083(17) 0.12(2) 0.014(15) 0.001(14) -0.005(12) C15 0.069(18) 0.12(3) 0.17(3) -0.04(2) -0.002(18) -0.053(18) C16 0.12(3) 0.047(16) 0.19(3) -0.029(19) 0.00(2) -0.037(16) C17 0.14(3) 0.09(2) 0.13(3) -0.001(19) -0.02(2) -0.01(2) C18 0.082(17) 0.074(18) 0.13(2) 0.018(16) -0.024(16) -0.022(14) C21 0.040(10) 0.036(10) 0.055(11) -0.002(9) 0.014(8) -0.008(8) C22 0.039(10) 0.051(11) 0.054(11) 0.008(10) 0.017(9) 0.002(8) C23 0.055(12) 0.062(12) 0.029(9) -0.007(8) 0.018(9) -0.016(9) C24 0.062(14) 0.078(16) 0.079(16) -0.019(12) 0.012(12) -0.013(11) C25 0.087(17) 0.10(2) 0.054(14) -0.015(13) 0.003(12) -0.020(15) C26 0.14(2) 0.069(17) 0.060(15) -0.019(13) 0.038(16) -0.042(17) C27 0.11(2) 0.053(14) 0.066(15) -0.023(12) 0.032(15) -0.011(13) C28 0.066(13) 0.060(13) 0.060(13) -0.005(11) 0.017(10) 0.006(10) C31 0.072(13) 0.027(10) 0.056(12) -0.001(8) 0.032(11) 0.012(9) C32 0.040(10) 0.065(13) 0.040(10) -0.028(9) 0.005(8) -0.020(9) C33 0.048(11) 0.071(14) 0.047(12) -0.025(10) 0.007(9) 0.005(10) C34 0.076(15) 0.084(16) 0.062(14) 0.010(12) 0.012(11) -0.031(12) C35 0.074(17) 0.12(2) 0.10(2) -0.021(17) 0.039(16) -0.051(16) C36 0.09(2) 0.14(3) 0.073(19) -0.043(19) -0.007(16) -0.027(19) C37 0.13(3) 0.13(3) 0.08(2) 0.005(19) -0.004(19) -0.02(2) C38 0.090(18) 0.097(19) 0.077(17) 0.001(14) 0.008(14) -0.026(15) C41 0.044(11) 0.058(11) 0.029(9) -0.003(8) 0.015(8) 0.004(9) C42 0.053(11) 0.033(9) 0.041(10) 0.005(8) 0.010(9) 0.002(8) C43 0.054(11) 0.036(10) 0.047(11) -0.004(8) 0.007(9) -0.014(8) C44 0.077(17) 0.081(16) 0.098(18) -0.007(14) 0.030(14) 0.011(13) C45 0.049(15) 0.13(3) 0.13(3) 0.03(2) -0.012(16) -0.007(15) C46 0.11(2) 0.09(2) 0.09(2) -0.001(16) -0.037(18) -0.048(18) C47 0.11(2) 0.076(17) 0.082(18) -0.003(13) -0.007(17) 0.012(16) C48 0.054(12) 0.067(14) 0.059(13) -0.007(11) -0.001(10) -0.010(10) C111 0.066(13) 0.038(10) 0.066(13) -0.013(9) 0.034(10) -0.001(9) C112 0.087(16) 0.054(13) 0.051(12) -0.011(10) 0.025(11) 0.009(11) C113 0.12(2) 0.071(17) 0.095(19) -0.039(14) 0.050(16) -0.024(15) C114 0.14(3) 0.072(19) 0.12(2) -0.032(17) 0.03(2) -0.042(19) C115 0.14(3) 0.059(17) 0.14(3) -0.057(17) 0.03(2) 0.002(16) C116 0.11(2) 0.070(17) 0.15(3) -0.020(17) 0.047(19) -0.013(15) C121 0.031(9) 0.037(10) 0.065(12) 0.006(8) 0.017(9) 0.000(7) C122 0.043(11) 0.065(13) 0.073(14) 0.002(10) 0.034(11) 0.004(9) C123 0.061(15) 0.080(16) 0.11(2) 0.011(14) 0.032(14) 0.010(11) C124 0.070(17) 0.069(16) 0.16(3) 0.032(17) 0.064(19) 0.030(13) C125 0.077(16) 0.061(14) 0.108(19) 0.034(13) 0.065(15) 0.030(12) C126 0.054(12) 0.052(12) 0.070(14) -0.017(10) 0.018(10) -0.015(9) C131 0.048(11) 0.046(11) 0.076(14) 0.007(10) 0.029(10) 0.005(8) C132 0.063(12) 0.053(12) 0.064(13) -0.008(10) 0.036(10) 0.014(9) C133 0.100(17) 0.042(12) 0.099(18) 0.025(12) 0.055(14) 0.006(11) C134 0.101(18) 0.050(14) 0.108(19) 0.020(13) 0.049(15) -0.003(12) C135 0.105(18) 0.042(12) 0.100(18) 0.005(11) 0.050(15) 0.012(11) C136 0.074(14) 0.044(12) 0.079(15) 0.006(10) 0.035(11) 0.010(10) C141 0.029(9) 0.057(11) 0.043(10) -0.005(8) 0.017(8) 0.019(8) C142 0.046(11) 0.077(14) 0.049(11) 0.006(10) 0.010(9) 0.002(10) C143 0.047(12) 0.086(15) 0.063(14) 0.004(12) -0.012(10) -0.003(10) C144 0.065(15) 0.102(19) 0.078(18) -0.001(15) -0.011(12) 0.004(13) C145 0.13(2) 0.15(3) 0.031(12) 0.022(14) 0.017(14) 0.00(2) C146 0.053(12) 0.103(17) 0.044(12) 0.011(11) 0.012(10) 0.001(11) C151 0.058(12) 0.052(11) 0.051(11) 0.004(9) 0.027(10) -0.001(9) C152 0.056(12) 0.056(12) 0.060(13) -0.008(10) 0.020(10) -0.003(9) C153 0.075(15) 0.102(17) 0.035(11) 0.005(11) 0.018(11) 0.007(12) C154 0.078(17) 0.13(2) 0.049(14) 0.025(13) 0.006(13) 0.004(15) C155 0.082(16) 0.101(18) 0.045(13) 0.019(12) -0.009(12) 0.001(13) C156 0.057(13) 0.086(16) 0.060(14) 0.013(11) 0.027(11) 0.003(11) C161 0.054(11) 0.035(10) 0.055(12) 0.004(8) 0.020(9) -0.007(8) C162 0.086(15) 0.071(14) 0.043(12) 0.003(10) 0.017(10) -0.002(12) C163 0.104(17) 0.055(13) 0.064(14) -0.033(11) 0.012(12) -0.044(12) C164 0.102(18) 0.060(14) 0.072(16) -0.005(12) 0.011(13) -0.048(13) C165 0.14(2) 0.085(19) 0.09(2) 0.015(15) 0.038(17) -0.039(17) C166 0.16(2) 0.076(17) 0.055(14) -0.011(12) 0.031(15) -0.052(16) C171 0.040(10) 0.035(9) 0.061(12) -0.002(8) 0.021(9) 0.003(7) C172 0.039(11) 0.080(14) 0.068(13) -0.027(11) 0.017(9) -0.007(9) C173 0.069(14) 0.067(14) 0.063(13) -0.008(11) -0.005(12) -0.005(11) C174 0.063(15) 0.105(19) 0.088(18) -0.021(15) 0.012(13) -0.027(13) C175 0.074(18) 0.20(3) 0.13(3) -0.05(2) 0.059(18) -0.05(2) C176 0.067(16) 0.20(3) 0.085(18) -0.061(19) 0.037(14) -0.037(18) C181 0.056(11) 0.030(10) 0.059(12) 0.002(8) 0.024(9) 0.002(8) C182 0.076(13) 0.053(12) 0.034(10) 0.011(9) 0.018(9) 0.017(9) C183 0.12(2) 0.047(12) 0.088(17) 0.000(11) 0.064(15) 0.001(12) C184 0.097(18) 0.083(19) 0.10(2) -0.034(15) 0.045(15) -0.012(14) C185 0.12(2) 0.077(17) 0.055(13) -0.012(12) 0.050(13) 0.001(14) C186 0.058(12) 0.047(11) 0.088(15) 0.009(10) 0.042(11) 0.006(9) C191 0.070(14) 0.066(14) 0.070(14) 0.006(11) 0.036(12) 0.014(11) C192 0.079(16) 0.11(2) 0.067(15) -0.019(14) 0.013(12) -0.018(15) C193 0.13(3) 0.10(2) 0.13(3) 0.007(19) 0.07(2) 0.05(2) C194 0.13(3) 0.17(4) 0.10(3) 0.03(3) 0.04(2) 0.05(3) C195 0.07(2) 0.23(4) 0.12(3) -0.02(3) 0.009(18) 0.02(2) C196 0.062(16) 0.16(3) 0.087(19) -0.038(18) 0.000(14) -0.002(16) C201 0.052(11) 0.045(11) 0.073(14) -0.004(10) 0.026(10) -0.011(8) C202 0.113(19) 0.075(16) 0.064(15) 0.002(12) 0.041(13) -0.023(13) C203 0.12(2) 0.10(2) 0.12(3) 0.053(19) 0.03(2) -0.027(18) C204 0.13(3) 0.053(17) 0.17(3) 0.03(2) 0.02(2) -0.024(16) C205 0.20(4) 0.050(17) 0.14(3) -0.011(18) 0.02(3) -0.040(19) C206 0.13(2) 0.060(15) 0.076(16) -0.019(13) 0.026(15) -0.013(14) C211 0.060(12) 0.040(11) 0.062(13) -0.021(9) 0.009(10) -0.013(9) C212 0.083(15) 0.046(12) 0.070(14) -0.009(10) 0.013(11) -0.016(10) C213 0.10(2) 0.080(18) 0.12(2) -0.018(17) 0.047(18) 0.002(14) C215 0.13(2) 0.11(2) 0.062(15) -0.033(15) 0.039(15) 0.018(18) C216 0.12(2) 0.072(19) 0.11(2) -0.037(16) 0.028(18) 0.014(16) C217 0.096(17) 0.067(14) 0.068(14) -0.002(11) 0.050(13) -0.009(12) C221 0.077(14) 0.053(13) 0.046(11) 0.011(9) 0.027(10) 0.011(10) C222 0.083(17) 0.056(15) 0.13(2) 0.027(14) 0.037(15) 0.002(12) C223 0.09(2) 0.062(17) 0.21(4) 0.03(2) 0.05(2) -0.002(16) C224 0.12(3) 0.09(2) 0.12(3) 0.027(19) 0.05(2) 0.018(19) C225 0.09(2) 0.16(3) 0.10(2) -0.03(2) -0.017(17) 0.02(2) C226 0.079(17) 0.11(2) 0.10(2) -0.022(17) -0.026(15) 0.003(15) C231 0.082(15) 0.061(13) 0.060(14) -0.009(10) 0.037(12) 0.000(11) C232 0.08(2) 0.13(3) 0.11(2) 0.006(19) 0.040(17) 0.001(17) C233 0.10(3) 0.13(3) 0.16(3) 0.01(2) 0.02(2) 0.00(2) C234 0.09(2) 0.09(2) 0.20(4) -0.01(2) 0.04(3) 0.013(17) C235 0.09(2) 0.087(19) 0.17(3) -0.02(2) 0.08(2) -0.003(15) C236 0.091(18) 0.058(14) 0.12(2) -0.019(13) 0.062(16) -0.026(12) C241 0.085(14) 0.038(11) 0.075(15) -0.005(10) 0.064(12) -0.011(9) C242 0.103(19) 0.065(17) 0.11(2) -0.010(14) 0.032(15) -0.023(13) C243 0.14(3) 0.042(16) 0.16(3) -0.024(17) 0.07(2) -0.030(15) C244 0.18(3) 0.054(18) 0.14(3) 0.02(2) 0.09(3) 0.014(18) C245 0.25(5) 0.09(3) 0.14(3) 0.03(2) 0.05(3) 0.03(3) C246 0.21(3) 0.069(19) 0.09(2) 0.012(16) 0.06(2) -0.010(19) C251 0.055(12) 0.041(11) 0.062(12) -0.020(9) 0.009(9) -0.003(9) C252 0.081(17) 0.061(15) 0.14(2) -0.001(15) 0.061(16) -0.008(12) C253 0.082(18) 0.10(2) 0.13(2) 0.017(18) 0.041(17) 0.010(16) C254 0.11(2) 0.10(2) 0.12(2) -0.001(18) 0.074(19) 0.023(18) C255 0.18(3) 0.028(14) 0.28(5) -0.04(2) 0.11(3) -0.029(16) C256 0.12(2) 0.08(2) 0.31(5) -0.06(3) 0.14(3) -0.035(18) C261 0.093(19) 0.16(3) 0.046(14) -0.031(16) 0.030(13) 0.033(17) C262 0.06(2) 0.58(10) 0.10(3) -0.11(4) 0.021(18) -0.08(4) C263 0.12(4) 1.1(2) 0.07(3) -0.14(7) 0.01(3) 0.02(7) C264 0.15(5) 0.71(16) 0.07(3) -0.08(6) -0.04(3) 0.18(7) C265 0.26(6) 0.29(6) 0.06(2) 0.04(3) 0.07(3) 0.16(5) C266 0.20(4) 0.10(2) 0.07(2) -0.025(17) 0.02(2) 0.03(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Pt1 C21 1.979(17) . ? Pt1 C11 1.995(19) . ? Pt1 P3 2.355(4) . ? Pt1 P1 2.365(4) . ? Pt1 Ag1 2.8994(15) . ? Pt1 Ag2 2.9381(15) . ? Pt1 Pt2 3.1534(8) . ? Pt2 C41 1.960(18) . ? Pt2 C31 2.05(2) . ? Pt2 P4 2.341(4) . ? Pt2 P2 2.344(4) . ? Pt2 Ag4 2.9245(14) . ? Pt2 Ag3 2.9347(15) . ? Ag1 C11 2.313(15) . ? Ag1 P5 2.380(5) . ? Ag1 C12 2.527(18) . ? Ag1 Ag2 3.179(2) . ? Ag2 C21 2.302(16) . ? Ag2 P6 2.349(5) . ? Ag2 C22 2.478(17) . ? Ag3 C31 2.273(16) . ? Ag3 P8 2.373(5) . ? Ag3 C32 2.590(17) . ? Ag4 C41 2.269(15) . ? Ag4 P7 2.359(5) . ? Ag4 C42 2.502(16) . ? P2 N1 1.586(13) . ? P2 C121 1.813(15) . ? P2 C111 1.846(18) . ? P1 N1 1.596(13) . ? P1 C141 1.790(17) . ? P1 C131 1.827(18) . ? P4 N2 1.598(13) . ? P4 C161 1.826(17) . ? P4 C151 1.834(19) . ? P3 N2 1.607(14) . ? P3 C181 1.822(17) . ? P3 C171 1.839(17) . ? P5 N3 1.586(15) . ? P5 C201 1.844(18) . ? P5 C191 1.85(2) . ? P6 N3 1.631(14) . ? P6 C211 1.819(17) . ? P6 C221 1.854(19) . ? P7 N4 1.586(15) . ? P7 C231 1.80(2) . ? P7 C241 1.83(2) . ? P8 N4 1.615(15) . ? P8 C261 1.84(3) . ? P8 C251 1.865(18) . ? O1 C01 1.422(5) . ? C11 C12 1.23(2) . ? C12 C13 1.44(3) . ? C13 C14 1.33(3) . ? C13 C18 1.34(3) . ? C14 C15 1.42(3) . ? C15 C16 1.31(4) . ? C16 C17 1.32(4) . ? C17 C18 1.38(4) . ? C21 C22 1.23(2) . ? C22 C23 1.46(2) . ? C23 C24 1.37(3) . ? C23 C28 1.38(3) . ? C24 C25 1.37(3) . ? C25 C26 1.37(3) . ? C26 C27 1.34(3) . ? C27 C28 1.35(3) . ? C31 C32 1.16(2) . ? C32 C33 1.43(2) . ? C33 C38 1.40(3) . ? C33 C34 1.41(3) . ? C34 C35 1.38(3) . ? C35 C36 1.33(4) . ? C36 C37 1.32(4) . ? C37 C38 1.39(4) . ? C41 C42 1.23(2) . ? C42 C43 1.45(2) . ? C43 C48 1.36(2) . ? C43 C44 1.38(3) . ? C44 C45 1.42(3) . ? C45 C46 1.35(4) . ? C46 C47 1.34(4) . ? C47 C48 1.34(3) . ? C111 C112 1.35(3) . ? C111 C116 1.36(3) . ? C112 C113 1.37(3) . ? C113 C114 1.33(3) . ? C114 C115 1.35(4) . ? C115 C116 1.38(3) . ? C121 C122 1.36(2) . ? C121 C126 1.43(2) . ? C122 C123 1.35(3) . ? C123 C124 1.39(3) . ? C124 C125 1.31(3) . ? C125 C126 1.35(3) . ? C131 C132 1.38(2) . ? C131 C136 1.39(2) . ? C132 C133 1.37(3) . ? C133 C134 1.36(3) . ? C134 C135 1.39(3) . ? C135 C136 1.37(3) . ? C141 C146 1.40(2) . ? C141 C142 1.40(2) . ? C142 C143 1.37(3) . ? C143 C144 1.35(3) . ? C144 C145 1.40(3) . ? C145 C146 1.37(3) . ? C151 C156 1.36(2) . ? C151 C152 1.39(2) . ? C152 C153 1.40(3) . ? C153 C154 1.33(3) . ? C154 C155 1.37(3) . ? C155 C156 1.41(3) . ? C161 C166 1.38(3) . ? C161 C162 1.38(2) . ? C162 C163 1.34(3) . ? C163 C164 1.34(3) . ? C164 C165 1.38(3) . ? C165 C166 1.39(3) . ? C171 C176 1.36(3) . ? C171 C172 1.39(2) . ? C172 C173 1.37(3) . ? C173 C174 1.33(3) . ? C174 C175 1.38(3) . ? C175 C176 1.39(3) . ? C181 C182 1.34(2) . ? C181 C186 1.36(2) . ? C182 C183 1.39(3) . ? C183 C184 1.35(3) . ? C184 C185 1.39(3) . ? C185 C186 1.41(3) . ? C191 C196 1.33(3) . ? C191 C192 1.38(3) . ? C192 C193 1.43(3) . ? C193 C194 1.32(4) . ? C194 C195 1.36(4) . ? C195 C196 1.38(4) . ? C201 C202 1.35(3) . ? C201 C206 1.35(3) . ? C202 C203 1.38(3) . ? C203 C204 1.38(4) . ? C204 C205 1.32(4) . ? C205 C206 1.39(3) . ? C211 C212 1.37(2) . ? C211 C217 1.38(3) . ? C212 C213 1.37(3) . ? C213 C216 1.35(3) . ? C215 C216 1.36(4) . ? C215 C217 1.38(3) . ? C221 C226 1.35(3) . ? C221 C222 1.37(3) . ? C222 C223 1.35(3) . ? C223 C224 1.36(4) . ? C224 C225 1.35(4) . ? C225 C226 1.39(4) . ? C231 C232 1.35(3) . ? C231 C236 1.37(3) . ? C232 C233 1.43(4) . ? C233 C234 1.37(4) . ? C234 C235 1.37(4) . ? C235 C236 1.39(3) . ? C241 C246 1.30(3) . ? C241 C242 1.40(3) . ? C242 C243 1.36(3) . ? C243 C244 1.33(4) . ? C244 C245 1.35(4) . ? C245 C246 1.36(4) . ? C251 C252 1.30(3) . ? C251 C256 1.33(3) . ? C252 C253 1.36(3) . ? C253 C254 1.31(3) . ? C254 C255 1.32(4) . ? C255 C256 1.38(4) . ? C261 C266 1.33(4) . ? C261 C262 1.34(4) . ? C262 C263 1.35(6) . ? C263 C264 1.11(11) . ? C264 C265 1.38(8) . ? C265 C266 1.38(4) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C21 Pt1 C11 166.7(6) . . ? C21 Pt1 P3 88.2(5) . . ? C11 Pt1 P3 93.5(5) . . ? C21 Pt1 P1 92.3(5) . . ? C11 Pt1 P1 87.9(5) . . ? P3 Pt1 P1 172.28(14) . . ? C21 Pt1 Ag1 114.4(5) . . ? C11 Pt1 Ag1 52.5(4) . . ? P3 Pt1 Ag1 88.90(11) . . ? P1 Pt1 Ag1 97.94(11) . . ? C21 Pt1 Ag2 51.4(5) . . ? C11 Pt1 Ag2 115.5(4) . . ? P3 Pt1 Ag2 103.62(11) . . ? P1 Pt1 Ag2 82.56(11) . . ? Ag1 Pt1 Ag2 65.98(4) . . ? C21 Pt1 Pt2 93.8(5) . . ? C11 Pt1 Pt2 99.5(4) . . ? P3 Pt1 Pt2 85.99(10) . . ? P1 Pt1 Pt2 86.29(10) . . ? Ag1 Pt1 Pt2 151.24(4) . . ? Ag2 Pt1 Pt2 142.61(4) . . ? C41 Pt2 C31 172.3(6) . . ? C41 Pt2 P4 92.9(5) . . ? C31 Pt2 P4 86.1(4) . . ? C41 Pt2 P2 86.8(5) . . ? C31 Pt2 P2 95.1(4) . . ? P4 Pt2 P2 173.32(15) . . ? C41 Pt2 Ag4 50.8(4) . . ? C31 Pt2 Ag4 121.6(5) . . ? P4 Pt2 Ag4 91.39(11) . . ? P2 Pt2 Ag4 93.57(11) . . ? C41 Pt2 Ag3 122.1(4) . . ? C31 Pt2 Ag3 50.5(5) . . ? P4 Pt2 Ag3 94.00(11) . . ? P2 Pt2 Ag3 91.81(11) . . ? Ag4 Pt2 Ag3 71.58(4) . . ? C41 Pt2 Pt1 93.5(4) . . ? C31 Pt2 Pt1 94.0(5) . . ? P4 Pt2 Pt1 86.66(10) . . ? P2 Pt2 Pt1 86.70(10) . . ? Ag4 Pt2 Pt1 144.17(4) . . ? Ag3 Pt2 Pt1 144.25(4) . . ? C11 Ag1 P5 173.5(5) . . ? C11 Ag1 C12 28.9(6) . . ? P5 Ag1 C12 146.5(5) . . ? C11 Ag1 Pt1 43.2(5) . . ? P5 Ag1 Pt1 140.81(14) . . ? C12 Ag1 Pt1 72.1(4) . . ? C11 Ag1 Ag2 98.6(5) . . ? P5 Ag1 Ag2 84.00(13) . . ? C12 Ag1 Ag2 126.0(4) . . ? Pt1 Ag1 Ag2 57.59(4) . . ? C21 Ag2 P6 170.4(4) . . ? C21 Ag2 C22 29.7(5) . . ? P6 Ag2 C22 143.0(5) . . ? C21 Ag2 Pt1 42.2(4) . . ? P6 Ag2 Pt1 143.30(13) . . ? C22 Ag2 Pt1 71.8(4) . . ? C21 Ag2 Ag1 96.5(4) . . ? P6 Ag2 Ag1 87.20(13) . . ? C22 Ag2 Ag1 123.4(4) . . ? Pt1 Ag2 Ag1 56.42(4) . . ? C31 Ag3 P8 175.0(4) . . ? C31 Ag3 C32 26.6(6) . . ? P8 Ag3 C32 153.4(4) . . ? C31 Ag3 Pt2 44.2(5) . . ? P8 Ag3 Pt2 135.02(14) . . ? C32 Ag3 Pt2 70.8(4) . . ? C41 Ag4 P7 179.0(5) . . ? C41 Ag4 C42 29.3(5) . . ? P7 Ag4 C42 151.7(4) . . ? C41 Ag4 Pt2 42.0(4) . . ? P7 Ag4 Pt2 136.97(14) . . ? C42 Ag4 Pt2 71.3(4) . . ? N1 P2 C121 104.1(8) . . ? N1 P2 C111 105.7(8) . . ? C121 P2 C111 103.0(8) . . ? N1 P2 Pt2 112.6(5) . . ? C121 P2 Pt2 111.6(5) . . ? C111 P2 Pt2 118.5(7) . . ? N1 P1 C141 102.9(7) . . ? N1 P1 C131 105.9(7) . . ? C141 P1 C131 101.7(9) . . ? N1 P1 Pt1 114.0(5) . . ? C141 P1 Pt1 115.9(5) . . ? C131 P1 Pt1 114.9(6) . . ? N2 P4 C161 106.4(7) . . ? N2 P4 C151 104.4(8) . . ? C161 P4 C151 104.4(8) . . ? N2 P4 Pt2 114.3(5) . . ? C161 P4 Pt2 115.2(6) . . ? C151 P4 Pt2 111.2(6) . . ? N2 P3 C181 104.3(7) . . ? N2 P3 C171 103.3(8) . . ? C181 P3 C171 101.6(8) . . ? N2 P3 Pt1 115.8(5) . . ? C181 P3 Pt1 115.4(6) . . ? C171 P3 Pt1 114.7(5) . . ? N3 P5 C201 104.5(9) . . ? N3 P5 C191 108.9(10) . . ? C201 P5 C191 102.5(9) . . ? N3 P5 Ag1 120.5(5) . . ? C201 P5 Ag1 108.7(6) . . ? C191 P5 Ag1 110.1(7) . . ? N3 P6 C211 108.1(8) . . ? N3 P6 C221 105.8(9) . . ? C211 P6 C221 99.8(9) . . ? N3 P6 Ag2 118.4(6) . . ? C211 P6 Ag2 110.2(6) . . ? C221 P6 Ag2 112.7(6) . . ? N4 P7 C231 105.4(9) . . ? N4 P7 C241 106.2(10) . . ? C231 P7 C241 101.5(9) . . ? N4 P7 Ag4 120.6(6) . . ? C231 P7 Ag4 109.4(7) . . ? C241 P7 Ag4 111.9(6) . . ? N4 P8 C261 106.0(12) . . ? N4 P8 C251 106.9(9) . . ? C261 P8 C251 100.9(10) . . ? N4 P8 Ag3 121.5(6) . . ? C261 P8 Ag3 111.4(8) . . ? C251 P8 Ag3 108.2(7) . . ? P2 N1 P1 134.6(9) . . ? P4 N2 P3 132.0(9) . . ? P5 N3 P6 126.2(9) . . ? P7 N4 P8 128.0(9) . . ? C12 C11 Pt1 169.5(14) . . ? C12 C11 Ag1 85.3(11) . . ? Pt1 C11 Ag1 84.3(6) . . ? C11 C12 C13 170.2(19) . . ? C11 C12 Ag1 65.8(11) . . ? C13 C12 Ag1 118.0(12) . . ? C14 C13 C18 119(2) . . ? C14 C13 C12 120.6(19) . . ? C18 C13 C12 120.7(19) . . ? C13 C14 C15 119(2) . . ? C16 C15 C14 123(3) . . ? C15 C16 C17 117(3) . . ? C16 C17 C18 122(3) . . ? C13 C18 C17 121(2) . . ? C22 C21 Pt1 168.1(14) . . ? C22 C21 Ag2 83.1(12) . . ? Pt1 C21 Ag2 86.3(6) . . ? C21 C22 C23 176.9(18) . . ? C21 C22 Ag2 67.2(11) . . ? C23 C22 Ag2 115.8(11) . . ? C24 C23 C28 120.0(18) . . ? C24 C23 C22 120.2(18) . . ? C28 C23 C22 119.7(17) . . ? C23 C24 C25 118(2) . . ? C26 C25 C24 122(2) . . ? C27 C26 C25 117(2) . . ? C26 C27 C28 123(2) . . ? C27 C28 C23 119(2) . . ? C32 C31 Pt2 177.0(15) . . ? C32 C31 Ag3 92.1(13) . . ? Pt2 C31 Ag3 85.3(7) . . ? C31 C32 C33 167.3(19) . . ? C31 C32 Ag3 61.3(11) . . ? C33 C32 Ag3 131.2(12) . . ? C38 C33 C34 118.8(19) . . ? C38 C33 C32 121(2) . . ? C34 C33 C32 119.7(19) . . ? C35 C34 C33 117(2) . . ? C36 C35 C34 124(2) . . ? C37 C36 C35 120(3) . . ? C36 C37 C38 122(3) . . ? C37 C38 C33 119(2) . . ? C42 C41 Pt2 172.3(14) . . ? C42 C41 Ag4 86.0(11) . . ? Pt2 C41 Ag4 87.2(6) . . ? C41 C42 C43 169.8(17) . . ? C41 C42 Ag4 64.7(10) . . ? C43 C42 Ag4 124.8(11) . . ? C48 C43 C44 117.0(18) . . ? C48 C43 C42 121.6(17) . . ? C44 C43 C42 121.4(18) . . ? C43 C44 C45 120(2) . . ? C46 C45 C44 117(3) . . ? C47 C46 C45 122(2) . . ? C48 C47 C46 120(3) . . ? C47 C48 C43 123(2) . . ? C112 C111 C116 117.0(19) . . ? C112 C111 P2 117.0(13) . . ? C116 C111 P2 125.1(17) . . ? C111 C112 C113 121.4(19) . . ? C114 C113 C112 121(2) . . ? C113 C114 C115 118(2) . . ? C114 C115 C116 121(3) . . ? C111 C116 C115 121(3) . . ? C122 C121 C126 116.7(15) . . ? C122 C121 P2 122.5(13) . . ? C126 C121 P2 120.8(13) . . ? C123 C122 C121 121(2) . . ? C122 C123 C124 120(2) . . ? C125 C124 C123 121(2) . . ? C124 C125 C126 121(2) . . ? C125 C126 C121 120.4(19) . . ? C132 C131 C136 117.8(17) . . ? C132 C131 P1 122.8(14) . . ? C136 C131 P1 119.3(13) . . ? C133 C132 C131 121.3(17) . . ? C134 C133 C132 120.1(19) . . ? C133 C134 C135 120.2(19) . . ? C136 C135 C134 119.1(19) . . ? C135 C136 C131 121.5(18) . . ? C146 C141 C142 116.3(17) . . ? C146 C141 P1 125.5(15) . . ? C142 C141 P1 117.9(13) . . ? C143 C142 C141 121.4(18) . . ? C144 C143 C142 122(2) . . ? C143 C144 C145 118(2) . . ? C146 C145 C144 121(2) . . ? C145 C146 C141 121(2) . . ? C156 C151 C152 118.7(18) . . ? C156 C151 P4 119.4(13) . . ? C152 C151 P4 121.8(15) . . ? C151 C152 C153 120.4(18) . . ? C154 C153 C152 120.3(19) . . ? C153 C154 C155 120(2) . . ? C154 C155 C156 121(2) . . ? C151 C156 C155 119.4(18) . . ? C166 C161 C162 116.1(18) . . ? C166 C161 P4 124.5(15) . . ? C162 C161 P4 119.2(13) . . ? C163 C162 C161 122.9(19) . . ? C164 C163 C162 121(2) . . ? C163 C164 C165 118.7(19) . . ? C164 C165 C166 120(2) . . ? C161 C166 C165 121(2) . . ? C176 C171 C172 116.7(17) . . ? C176 C171 P3 123.2(16) . . ? C172 C171 P3 119.9(12) . . ? C173 C172 C171 122.5(18) . . ? C174 C173 C172 119(2) . . ? C173 C174 C175 120(2) . . ? C174 C175 C176 120(2) . . ? C171 C176 C175 121(2) . . ? C182 C181 C186 120.1(16) . . ? C182 C181 P3 119.2(13) . . ? C186 C181 P3 120.3(13) . . ? C181 C182 C183 119.6(17) . . ? C184 C183 C182 121(2) . . ? C183 C184 C185 120(2) . . ? C184 C185 C186 117(2) . . ? C181 C186 C185 121.5(18) . . ? C196 C191 C192 120(2) . . ? C196 C191 P5 121.1(19) . . ? C192 C191 P5 119.0(18) . . ? C191 C192 C193 119(2) . . ? C194 C193 C192 119(3) . . ? C193 C194 C195 121(3) . . ? C194 C195 C196 120(3) . . ? C191 C196 C195 120(3) . . ? C202 C201 C206 121(2) . . ? C202 C201 P5 120.6(16) . . ? C206 C201 P5 118.8(17) . . ? C201 C202 C203 120(2) . . ? C202 C203 C204 120(3) . . ? C205 C204 C203 119(3) . . ? C204 C205 C206 122(3) . . ? C201 C206 C205 119(3) . . ? C212 C211 C217 119.0(18) . . ? C212 C211 P6 121.1(15) . . ? C217 C211 P6 119.6(14) . . ? C213 C212 C211 120(2) . . ? C216 C213 C212 122(3) . . ? C216 C215 C217 121(2) . . ? C213 C216 C215 118(2) . . ? C215 C217 C211 120(2) . . ? C226 C221 C222 120(2) . . ? C226 C221 P6 123.0(18) . . ? C222 C221 P6 116.9(18) . . ? C223 C222 C221 120(3) . . ? C222 C223 C224 121(3) . . ? C225 C224 C223 120(3) . . ? C224 C225 C226 119(3) . . ? C221 C226 C225 120(3) . . ? C232 C231 C236 117(2) . . ? C232 C231 P7 121.0(17) . . ? C236 C231 P7 122.4(19) . . ? C231 C232 C233 124(3) . . ? C234 C233 C232 116(3) . . ? C235 C234 C233 120(3) . . ? C234 C235 C236 121(3) . . ? C231 C236 C235 121(3) . . ? C246 C241 C242 115(2) . . ? C246 C241 P7 126.1(18) . . ? C242 C241 P7 118.4(19) . . ? C243 C242 C241 122(3) . . ? C244 C243 C242 118(3) . . ? C243 C244 C245 121(3) . . ? C244 C245 C246 119(3) . . ? C241 C246 C245 124(3) . . ? C252 C251 C256 120(2) . . ? C252 C251 P8 121.8(16) . . ? C256 C251 P8 118.4(17) . . ? C251 C252 C253 119(2) . . ? C254 C253 C252 125(3) . . ? C253 C254 C255 116(3) . . ? C254 C255 C256 121(3) . . ? C251 C256 C255 120(2) . . ? C266 C261 C262 116(3) . . ? C266 C261 P8 120(2) . . ? C262 C261 P8 124(3) . . ? C261 C262 C263 120(5) . . ? C264 C263 C262 123(6) . . ? C263 C264 C265 125(5) . . ? C266 C265 C264 114(5) . . ? C261 C266 C265 121(4) . . ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 22.50 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 1.664 _refine_diff_density_min -2.308 _refine_diff_density_rms 0.246 #====END #--------------------------------------------------------------------------= #--- data_2 #(Complex 2) _database_code_CSD 210711 #data_w _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C136 H115 Ag4 Cl8 N4 P8 Pt2' _chemical_formula_weight 3158.34 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1)/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x, -y+1/2, z+1/2' '-x, -y, -z' '-x, y-1/2, -z-1/2' _cell_length_a 13.6487(4) _cell_length_b 34.4909(8) _cell_length_c 28.4079(9) _cell_angle_alpha 90.00 _cell_angle_beta 96.2950(10) _cell_angle_gamma 90.00 _cell_volume 13292.6(7) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 7276 _cell_measurement_theta_min .93 _cell_measurement_theta_max 22.50 _exptl_crystal_description prism _exptl_crystal_colour red _exptl_crystal_size_max .62 _exptl_crystal_size_mid .48 _exptl_crystal_size_min .38 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.578 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 6236 _exptl_absorpt_coefficient_mu 2.981 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min .5796 _exptl_absorpt_correction_T_max 1.0000 _exptl_absorpt_process_details 'SADABS (Sheldrick, 1996)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Siemens SMART CCD' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number none _diffrn_standards_interval_count none _diffrn_standards_interval_time none _diffrn_standards_decay_% none _diffrn_reflns_number 33117 _diffrn_reflns_av_R_equivalents 0.0621 _diffrn_reflns_av_sigmaI/netI 0.0715 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -31 _diffrn_reflns_limit_k_max 37 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_limit_l_max 30 _diffrn_reflns_theta_min 0.93 _diffrn_reflns_theta_max 22.50 _reflns_number_total 17401 _reflns_number_gt 12861 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Siemens SMART' _computing_cell_refinement 'Siemens SMART & SAINT' _computing_data_reduction 'Siemens XPREP' _computing_structure_solution 'Siemens SHELXTL' _computing_structure_refinement 'Siemens SHELXTL' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w==1/[\s^2^(Fo^2^)+(0.0668P)^2^+208.5000P] where P==(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.00081(5) _refine_ls_extinction_expression Fc^*^==kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 17401 _refine_ls_number_parameters 1341 _refine_ls_number_restraints 15 _refine_ls_R_factor_all 0.1195 _refine_ls_R_factor_gt 0.0796 _refine_ls_wR_factor_ref 0.2169 _refine_ls_wR_factor_gt 0.1821 _refine_ls_goodness_of_fit_ref 1.251 _refine_ls_restrained_S_all 1.251 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Pt1 Pt 1.49124(5) -0.727930(18) 0.58110(2) 0.0377(2) Uani 1 1 d . . . Pt2 Pt 1.61159(5) -0.804372(18) 0.59637(2) 0.0390(2) Uani 1 1 d . . . Ag1 Ag 1.45185(11) -0.65816(4) 0.63297(5) 0.0564(4) Uani 1 1 d . . . Ag2 Ag 1.34558(11) -0.67970(4) 0.52500(5) 0.0585(4) Uani 1 1 d . . . Ag3 Ag 1.75920(10) -0.84930(4) 0.65467(5) 0.0541(4) Uani 1 1 d . . . Ag4 Ag 1.63737(11) -0.88036(4) 0.55789(5) 0.0569(4) Uani 1 1 d . . . Cl1 Cl 1.2316(12) -0.4706(3) 0.5531(6) 0.251(8) Uani 1 1 d D . . Cl2 Cl 1.3205(10) -0.4050(4) 0.6052(5) 0.207(5) Uani 1 1 d D . . Cl3 Cl 1.0938(12) -0.5752(5) 0.9097(5) 0.264(8) Uani 1 1 d D . . Cl4 Cl 1.1901(12) -0.5785(5) 0.8238(6) 0.282(9) Uani 1 1 d D . . Cl5 Cl 0.9560(14) -0.5125(5) 0.5821(7) 0.294(9) Uani 1 1 d D . . Cl6 Cl 0.8365(16) -0.4975(8) 0.6584(7) 0.356(13) Uani 1 1 d D . . Cl7 Cl 1.092(3) -0.6263(12) 0.3551(16) 0.45(4) Uani 0.50 1 d PD . . Cl8 Cl 1.155(3) -0.6760(12) 0.2820(11) 0.32(2) Uani 0.50 1 d PD . . Cl9 Cl 1.295(3) -0.9422(9) 0.7252(19) 0.43(4) Uani 0.50 1 d PD . . Cl10 Cl 1.179(4) -1.0108(8) 0.7002(11) 0.42(4) Uani 0.50 1 d PD . . P1 P 1.3731(3) -0.75697(12) 0.62460(15) 0.0377(10) Uani 1 1 d . . . P2 P 1.4688(3) -0.83271(12) 0.62221(16) 0.0442(11) Uani 1 1 d . . . P3 P 1.6133(3) -0.70665(12) 0.53508(15) 0.0403(10) Uani 1 1 d . . . P4 P 1.7434(3) -0.77066(12) 0.56796(16) 0.0422(10) Uani 1 1 d . . . P5 P 1.2931(4) -0.61336(14) 0.52517(18) 0.0564(13) Uani 1 1 d . . . P6 P 1.3422(4) -0.60449(14) 0.62541(17) 0.0536(12) Uani 1 1 d . . . P7 P 1.8509(3) -0.90771(14) 0.65304(18) 0.0526(12) Uani 1 1 d . . . P8 P 1.7228(4) -0.93989(14) 0.57554(19) 0.0546(12) Uani 1 1 d . . . N1 N 1.3761(10) -0.8041(4) 0.6248(5) 0.047(3) Uani 1 1 d . . . N2 N 1.7121(10) -0.7324(4) 0.5400(5) 0.053(4) Uani 1 1 d . . . N3 N 1.3087(13) -0.5885(5) 0.5719(5) 0.067(5) Uani 1 1 d . . . N4 N 1.8139(12) -0.9415(5) 0.6162(6) 0.072(5) Uani 1 1 d . . . C01 C 1.332(2) -0.4380(9) 0.5586(11) 0.24(3) Uani 1 1 d D . . H01A H 1.3929 -0.4523 0.5648 0.291 Uiso 1 1 calc R . . H01B H 1.3332 -0.4239 0.5292 0.291 Uiso 1 1 calc R . . C02 C 1.199(2) -0.5618(15) 0.8827(9) 0.23(3) Uani 1 1 d D . . H02A H 1.2058 -0.5338 0.8832 0.279 Uiso 1 1 calc R . . H02B H 1.2575 -0.5727 0.9005 0.279 Uiso 1 1 calc R . . C03 C 0.875(3) -0.4795(8) 0.6051(12) 0.24(3) Uani 1 1 d D . . H03A H 0.8174 -0.4755 0.5822 0.290 Uiso 1 1 calc R . . H03B H 0.9072 -0.4547 0.6110 0.290 Uiso 1 1 calc R . . C04 C 1.194(3) -0.6430(18) 0.328(2) 0.13(2) Uiso 0.50 1 d PD . . H04A H 1.2269 -0.6212 0.3147 0.160 Uiso 0.50 1 calc PR . . H04B H 1.2405 -0.6556 0.3510 0.160 Uiso 0.50 1 calc PR . . C05 C 1.283(4) -0.9835(17) 0.688(2) 0.13(2) Uiso 0.50 1 d PD . . H05A H 1.3418 -0.9994 0.6940 0.161 Uiso 0.50 1 calc PR . . H05B H 1.2758 -0.9756 0.6554 0.161 Uiso 0.50 1 calc PR . . C11 C 1.5757(14) -0.7026(5) 0.6363(6) 0.053(5) Uani 1 1 d . . . C12 C 1.6235(13) -0.6841(6) 0.6672(6) 0.056(5) Uani 1 1 d . . . C13 C 1.6864(14) -0.6666(6) 0.7024(6) 0.058(5) Uani 1 1 d . . . C14 C 1.7252(16) -0.6290(6) 0.6969(8) 0.075(6) Uani 1 1 d . . . H14A H 1.7108 -0.6159 0.6684 0.090 Uiso 1 1 calc R . . C15 C 1.7840(17) -0.6119(7) 0.7334(11) 0.091(8) Uani 1 1 d . . . H15A H 1.8040 -0.5863 0.7304 0.110 Uiso 1 1 calc R . . C16 C 1.8142(16) -0.6320(9) 0.7747(9) 0.084(7) Uani 1 1 d . . . C17 C 1.7790(18) -0.6688(8) 0.7799(9) 0.086(7) Uani 1 1 d . . . H17A H 1.7981 -0.6829 0.8073 0.104 Uiso 1 1 calc R . . C18 C 1.7164(15) -0.6844(6) 0.7448(7) 0.065(6) Uani 1 1 d . . . H18A H 1.6917 -0.7090 0.7498 0.079 Uiso 1 1 calc R . . C19 C 1.883(2) -0.6110(10) 0.8130(11) 0.143(13) Uani 1 1 d . . . H19A H 1.8971 -0.6278 0.8398 0.215 Uiso 1 1 calc R . . H19B H 1.8506 -0.5880 0.8226 0.215 Uiso 1 1 calc R . . H19C H 1.9427 -0.6040 0.8005 0.215 Uiso 1 1 calc R . . C21 C 1.4033(16) -0.7429(5) 0.5245(6) 0.057(5) Uani 1 1 d . . . C22 C 1.3405(13) -0.7484(5) 0.4894(6) 0.046(4) Uani 1 1 d . . . C23 C 1.2710(13) -0.7598(5) 0.4523(6) 0.047(4) Uani 1 1 d . . . C24 C 1.252(3) -0.7395(9) 0.4125(11) 0.134(12) Uani 1 1 d . . . H34A H 1.2868 -0.7166 0.4092 0.161 Uiso 1 1 calc R . . C25 C 1.180(3) -0.7519(13) 0.3736(11) 0.150(14) Uani 1 1 d . . . H35A H 1.1670 -0.7359 0.3473 0.180 Uiso 1 1 calc R . . C26 C 1.1326(15) -0.7856(8) 0.3750(8) 0.072(6) Uani 1 1 d . . . C27 C 1.156(3) -0.8054(10) 0.4113(15) 0.175(19) Uani 1 1 d . . . H37A H 1.1309 -0.8305 0.4113 0.210 Uiso 1 1 calc R . . C28 C 1.216(2) -0.7932(9) 0.4528(11) 0.120(10) Uani 1 1 d . . . H38A H 1.2186 -0.8080 0.4803 0.144 Uiso 1 1 calc R . . C29 C 1.0628(19) -0.8009(10) 0.3348(10) 0.134(13) Uani 1 1 d . . . H39A H 1.0371 -0.8255 0.3435 0.202 Uiso 1 1 calc R . . H39B H 1.0972 -0.8041 0.3073 0.202 Uiso 1 1 calc R . . H39C H 1.0095 -0.7829 0.3278 0.202 Uiso 1 1 calc R . . C31 C 1.6641(11) -0.7954(4) 0.6631(5) 0.035(4) Uiso 1 1 d . . . C32 C 1.7007(12) -0.7953(5) 0.7038(7) 0.053(5) Uani 1 1 d . . . C33 C 1.7384(15) -0.7956(6) 0.7532(7) 0.059(5) Uani 1 1 d . . . C34 C 1.830(2) -0.7830(9) 0.7716(9) 0.106(9) Uani 1 1 d . . . H4B H 1.8729 -0.7729 0.7515 0.127 Uiso 1 1 calc R . . C35 C 1.860(3) -0.7851(10) 0.8196(12) 0.142(13) Uani 1 1 d . . . H5A H 1.9226 -0.7767 0.8316 0.170 Uiso 1 1 calc R . . C36 C 1.795(3) -0.8000(7) 0.8502(9) 0.096(8) Uani 1 1 d . . . C37 C 1.711(2) -0.8144(10) 0.8329(10) 0.111(10) Uani 1 1 d . . . H7A H 1.6725 -0.8281 0.8520 0.133 Uiso 1 1 calc R . . C38 C 1.6816(19) -0.8092(8) 0.7866(8) 0.100(9) Uani 1 1 d . . . H8A H 1.6165 -0.8155 0.7762 0.120 Uiso 1 1 calc R . . C39 C 1.833(3) -0.8043(11) 0.9053(10) 0.170(17) Uani 1 1 d . . . H9A H 1.7805 -0.8146 0.9217 0.255 Uiso 1 1 calc R . . H9B H 1.8515 -0.7793 0.9181 0.255 Uiso 1 1 calc R . . H9C H 1.8881 -0.8214 0.9091 0.255 Uiso 1 1 calc R . . C41 C 1.5755(11) -0.8215(4) 0.5303(5) 0.034(4) Uiso 1 1 d . . . C42 C 1.5634(12) -0.8342(5) 0.4901(7) 0.053(5) Uani 1 1 d . . . C43 C 1.5465(15) -0.8447(5) 0.4393(6) 0.055(5) Uani 1 1 d . . . C44 C 1.4542(18) -0.8483(9) 0.4165(8) 0.107(10) Uani 1 1 d . . . H24A H 1.4001 -0.8451 0.4333 0.129 Uiso 1 1 calc R . . C45 C 1.439(2) -0.8567(9) 0.3694(9) 0.112(10) Uani 1 1 d . . . H25A H 1.3754 -0.8579 0.3544 0.134 Uiso 1 1 calc R . . C46 C 1.518(2) -0.8635(7) 0.3433(8) 0.089(8) Uani 1 1 d . . . C47 C 1.608(2) -0.8615(7) 0.3668(8) 0.089(7) Uani 1 1 d . . . H27A H 1.6627 -0.8668 0.3508 0.107 Uiso 1 1 calc R . . C48 C 1.6232(15) -0.8517(7) 0.4137(7) 0.072(6) Uani 1 1 d . . . H28A H 1.6873 -0.8497 0.4284 0.086 Uiso 1 1 calc R . . C49 C 1.503(3) -0.8749(8) 0.2922(8) 0.128(12) Uani 1 1 d . . . H29A H 1.5656 -0.8787 0.2807 0.192 Uiso 1 1 calc R . . H29B H 1.4675 -0.8547 0.2742 0.192 Uiso 1 1 calc R . . H29C H 1.4655 -0.8985 0.2888 0.192 Uiso 1 1 calc R . . C111 C 1.3695(13) -0.7425(5) 0.6860(6) 0.049(4) Uani 1 1 d . . . C112 C 1.2859(16) -0.7371(8) 0.7072(7) 0.085(7) Uani 1 1 d . . . H11B H 1.2254 -0.7387 0.6888 0.101 Uiso 1 1 calc R . . C113 C 1.287(2) -0.7294(8) 0.7553(8) 0.102(10) Uani 1 1 d . . . H11C H 1.2289 -0.7242 0.7682 0.123 Uiso 1 1 calc R . . C114 C 1.373(2) -0.7294(7) 0.7824(9) 0.094(8) Uani 1 1 d . . . H11D H 1.3732 -0.7247 0.8147 0.113 Uiso 1 1 calc R . . C115 C 1.462(2) -0.7363(8) 0.7636(8) 0.091(8) Uani 1 1 d . . . H11E H 1.5220 -0.7363 0.7828 0.110 Uiso 1 1 calc R . . C116 C 1.4584(14) -0.7430(5) 0.7154(6) 0.057(5) Uani 1 1 d . . . H11F H 1.5166 -0.7479 0.7022 0.068 Uiso 1 1 calc R . . C121 C 1.2477(12) -0.7459(5) 0.5996(6) 0.045(4) Uani 1 1 d . . . C122 C 1.1884(13) -0.7742(6) 0.5759(7) 0.056(5) Uani 1 1 d . . . H12B H 1.2116 -0.7994 0.5738 0.068 Uiso 1 1 calc R . . C123 C 1.0954(14) -0.7646(7) 0.5556(7) 0.069(6) Uani 1 1 d . . . H12C H 1.0564 -0.7837 0.5399 0.082 Uiso 1 1 calc R . . C124 C 1.0591(16) -0.7285(7) 0.5578(8) 0.075(6) Uani 1 1 d . . . H12D H 0.9965 -0.7227 0.5433 0.090 Uiso 1 1 calc R . . C125 C 1.1149(17) -0.7009(7) 0.5814(9) 0.086(7) Uani 1 1 d . . . H12E H 1.0887 -0.6762 0.5842 0.103 Uiso 1 1 calc R . . C126 C 1.2094(14) -0.7084(5) 0.6013(7) 0.058(5) Uani 1 1 d . . . H12F H 1.2478 -0.6886 0.6158 0.069 Uiso 1 1 calc R . . C131 C 1.4884(12) -0.8566(5) 0.6793(7) 0.051(5) Uani 1 1 d . . . C132 C 1.4267(14) -0.8472(6) 0.7134(6) 0.057(5) Uani 1 1 d . . . H13A H 1.3770 -0.8289 0.7070 0.068 Uiso 1 1 calc R . . C133 C 1.4403(18) -0.8658(7) 0.7574(8) 0.083(7) Uani 1 1 d . . . H13B H 1.3998 -0.8589 0.7804 0.100 Uiso 1 1 calc R . . C134 C 1.511(2) -0.8937(7) 0.7681(9) 0.092(8) Uani 1 1 d . . . H13C H 1.5193 -0.9054 0.7978 0.110 Uiso 1 1 calc R . . C135 C 1.5681(17) -0.9035(7) 0.7342(9) 0.088(8) Uani 1 1 d . . . H13D H 1.6149 -0.9230 0.7402 0.106 Uiso 1 1 calc R . . C136 C 1.5591(15) -0.8856(6) 0.6914(8) 0.076(6) Uani 1 1 d . . . H13E H 1.6010 -0.8928 0.6692 0.092 Uiso 1 1 calc R . . C141 C 1.4146(11) -0.8713(4) 0.5837(6) 0.040(4) Uani 1 1 d . . . C142 C 1.3608(14) -0.8596(5) 0.5418(7) 0.055(5) Uani 1 1 d . . . H14B H 1.3573 -0.8332 0.5348 0.067 Uiso 1 1 calc R . . C143 C 1.3141(18) -0.8843(8) 0.5112(9) 0.086(7) Uani 1 1 d . . . H14C H 1.2790 -0.8757 0.4833 0.103 Uiso 1 1 calc R . . C144 C 1.3196(17) -0.9240(9) 0.5224(10) 0.090(9) Uani 1 1 d . . . H14D H 1.2835 -0.9416 0.5026 0.108 Uiso 1 1 calc R . . C145 C 1.375(2) -0.9371(6) 0.5603(12) 0.102(10) Uani 1 1 d . . . H14E H 1.3815 -0.9636 0.5651 0.122 Uiso 1 1 calc R . . C146 C 1.4226(16) -0.9114(5) 0.5931(9) 0.076(7) Uani 1 1 d . . . H14F H 1.4589 -0.9205 0.6205 0.091 Uiso 1 1 calc R . . C151 C 1.5689(12) -0.7045(5) 0.4718(6) 0.047(4) Uani 1 1 d . . . C152 C 1.5739(16) -0.7387(6) 0.4458(6) 0.065(5) Uani 1 1 d . . . H21B H 1.6030 -0.7605 0.4605 0.078 Uiso 1 1 calc R . . C153 C 1.5373(17) -0.7407(6) 0.3997(7) 0.073(6) Uani 1 1 d . . . H21C H 1.5409 -0.7639 0.3832 0.087 Uiso 1 1 calc R . . C154 C 1.4953(19) -0.7088(8) 0.3772(8) 0.087(7) Uani 1 1 d . . . H21D H 1.4711 -0.7101 0.3453 0.105 Uiso 1 1 calc R . . C155 C 1.4889(17) -0.6751(7) 0.4017(7) 0.075(6) Uani 1 1 d . . . H21E H 1.4581 -0.6537 0.3868 0.090 Uiso 1 1 calc R . . C156 C 1.5274(15) -0.6725(5) 0.4485(7) 0.061(5) Uani 1 1 d . . . H21F H 1.5254 -0.6490 0.4643 0.074 Uiso 1 1 calc R . . C161 C 1.6522(13) -0.6565(5) 0.5464(6) 0.048(4) Uani 1 1 d . . . C162 C 1.7522(14) -0.6469(6) 0.5520(7) 0.064(5) Uani 1 1 d . . . H22B H 1.7989 -0.6661 0.5490 0.077 Uiso 1 1 calc R . . C163 C 1.783(2) -0.6092(7) 0.5622(10) 0.100(8) Uani 1 1 d . . . H22C H 1.8497 -0.6030 0.5644 0.119 Uiso 1 1 calc R . . C164 C 1.715(2) -0.5814(8) 0.5689(10) 0.107(9) Uani 1 1 d . . . H22D H 1.7361 -0.5564 0.5770 0.128 Uiso 1 1 calc R . . C165 C 1.6156(17) -0.5894(6) 0.5638(7) 0.068(6) Uani 1 1 d . . . H22E H 1.5701 -0.5698 0.5673 0.082 Uiso 1 1 calc R . . C166 C 1.5844(15) -0.6267(5) 0.5536(6) 0.056(5) Uani 1 1 d . . . H22F H 1.5174 -0.6324 0.5513 0.068 Uiso 1 1 calc R . . C171 C 1.8421(11) -0.7575(5) 0.6147(6) 0.044(4) Uani 1 1 d . . . C172 C 1.8390(13) -0.7215(6) 0.6350(7) 0.065(6) Uani 1 1 d . . . H23A H 1.7866 -0.7052 0.6249 0.078 Uiso 1 1 calc R . . C173 C 1.9096(16) -0.7085(7) 0.6693(8) 0.080(7) Uani 1 1 d . . . H23B H 1.9049 -0.6838 0.6820 0.096 Uiso 1 1 calc R . . C174 C 1.9874(15) -0.7322(8) 0.6849(8) 0.080(7) Uani 1 1 d . . . H23C H 2.0364 -0.7238 0.7080 0.096 Uiso 1 1 calc R . . C175 C 1.9913(16) -0.7683(7) 0.6658(8) 0.076(6) Uani 1 1 d . . . H23D H 2.0429 -0.7848 0.6766 0.091 Uiso 1 1 calc R . . C176 C 1.9207(14) -0.7811(5) 0.6310(7) 0.059(5) Uani 1 1 d . . . H23E H 1.9258 -0.8058 0.6182 0.071 Uiso 1 1 calc R . . C181 C 1.8088(13) -0.7994(5) 0.5270(7) 0.055(5) Uani 1 1 d . . . C182 C 1.8290(14) -0.7815(7) 0.4850(7) 0.069(6) Uani 1 1 d . . . H24B H 1.8099 -0.7560 0.4787 0.083 Uiso 1 1 calc R . . C183 C 1.8783(19) -0.8024(7) 0.4527(8) 0.088(7) Uani 1 1 d . . . H24C H 1.8889 -0.7911 0.4240 0.105 Uiso 1 1 calc R . . C184 C 1.9115(17) -0.8397(7) 0.4627(9) 0.087(7) Uani 1 1 d . . . H24D H 1.9458 -0.8530 0.4412 0.104 Uiso 1 1 calc R . . C185 C 1.8941(15) -0.8566(6) 0.5036(8) 0.071(6) Uani 1 1 d . . . H24E H 1.9165 -0.8817 0.5102 0.085 Uiso 1 1 calc R . . C186 C 1.8427(15) -0.8371(5) 0.5364(7) 0.061(5) Uani 1 1 d . . . H24F H 1.8312 -0.8493 0.5645 0.074 Uiso 1 1 calc R . . C191 C 1.3431(11) -0.5829(4) 0.4811(5) 0.066(6) Uani 1 1 d G . . C192 C 1.3400(13) -0.5954(4) 0.4344(6) 0.092(7) Uani 1 1 d G . . H31B H 1.3155 -0.6199 0.4259 0.110 Uiso 1 1 calc R . . C193 C 1.3735(15) -0.5712(7) 0.4004(5) 0.127(12) Uani 1 1 d G . . H31C H 1.3714 -0.5796 0.3692 0.152 Uiso 1 1 calc R . . C194 C 1.4100(13) -0.5346(6) 0.4130(8) 0.130(14) Uani 1 1 d G . . H31D H 1.4324 -0.5185 0.3903 0.156 Uiso 1 1 calc R . . C195 C 1.4131(13) -0.5222(4) 0.4597(9) 0.133(13) Uani 1 1 d G . . H31E H 1.4375 -0.4977 0.4682 0.160 Uiso 1 1 calc R . . C196 C 1.3796(13) -0.5463(4) 0.4937(6) 0.091(8) Uani 1 1 d G . . H31F H 1.3817 -0.5380 0.5249 0.110 Uiso 1 1 calc R . . C201 C 1.1643(6) -0.6105(2) 0.5016(2) 0.072(6) Uani 1 1 d G . . C202 C 1.1066(6) -0.5775(3) 0.5037(3) 0.112(10) Uani 1 1 d G . . H32B H 1.1350 -0.5544 0.5153 0.135 Uiso 1 1 calc R . . C203 C 1.0064(6) -0.5790(3) 0.4883(3) 0.128(11) Uani 1 1 d G . . H32C H 0.9677 -0.5569 0.4897 0.153 Uiso 1 1 calc R . . C204 C 0.9639(6) -0.6134(3) 0.4709(3) 0.21(2) Uani 1 1 d G . . H32D H 0.8969 -0.6144 0.4606 0.258 Uiso 1 1 calc R . . C205 C 1.0217(6) -0.6465(3) 0.4688(3) 0.31(4) Uani 1 1 d G . . H32E H 0.9933 -0.6695 0.4572 0.368 Uiso 1 1 calc R . . C206 C 1.1219(6) -0.6450(3) 0.4842(3) 0.20(2) Uani 1 1 d G . . H32F H 1.1605 -0.6671 0.4828 0.243 Uiso 1 1 calc R . . C211 C 1.4012(5) -0.56312(16) 0.6577(3) 0.059(5) Uani 1 1 d G . . C212 C 1.4969(5) -0.56743(17) 0.6795(3) 0.091(8) Uani 1 1 d G . . H33A H 1.5298 -0.5909 0.6773 0.109 Uiso 1 1 calc R . . C213 C 1.5433(6) -0.53671(18) 0.7046(3) 0.110(9) Uani 1 1 d G . . H33B H 1.6072 -0.5396 0.7192 0.132 Uiso 1 1 calc R . . C214 C 1.4941(6) -0.50170(18) 0.7078(4) 0.102(9) Uani 1 1 d G . . H33C H 1.5251 -0.4811 0.7246 0.122 Uiso 1 1 calc R . . C215 C 1.3984(6) -0.49739(17) 0.6860(3) 0.138(13) Uani 1 1 d G . . H33D H 1.3655 -0.4740 0.6882 0.165 Uiso 1 1 calc R . . C216 C 1.3520(5) -0.52811(16) 0.6609(3) 0.132(13) Uani 1 1 d G . . H33E H 1.2881 -0.5252 0.6463 0.158 Uiso 1 1 calc R . . C221 C 1.2318(5) -0.61056(18) 0.6566(2) 0.062(5) Uani 1 1 d G . . C222 C 1.1403(5) -0.59604(19) 0.6386(3) 0.113(9) Uani 1 1 d G . . H34B H 1.1332 -0.5831 0.6097 0.135 Uiso 1 1 calc R . . C223 C 1.0593(5) -0.6009(2) 0.6637(3) 0.143(14) Uani 1 1 d G . . H34C H 0.9981 -0.5912 0.6516 0.172 Uiso 1 1 calc R . . C224 C 1.0698(5) -0.6203(2) 0.7068(3) 0.127(13) Uani 1 1 d G . . H34D H 1.0156 -0.6236 0.7236 0.152 Uiso 1 1 calc R . . C225 C 1.1613(5) -0.6348(2) 0.7249(3) 0.136(12) Uani 1 1 d G . . H34E H 1.1683 -0.6478 0.7538 0.163 Uiso 1 1 calc R . . C226 C 1.2423(5) -0.62995(19) 0.6998(2) 0.088(7) Uani 1 1 d G . . H34F H 1.3035 -0.6397 0.7119 0.106 Uiso 1 1 calc R . . C231 C 1.9789(6) -0.8973(2) 0.6434(4) 0.052(5) Uani 1 1 d G . . C232 C 2.0321(6) -0.8726(2) 0.6753(4) 0.092(8) Uani 1 1 d G . . H41A H 2.0030 -0.8625 0.7007 0.110 Uiso 1 1 calc R . . C233 C 2.1288(6) -0.8630(3) 0.6691(4) 0.104(9) Uani 1 1 d G . . H41B H 2.1644 -0.8464 0.6905 0.125 Uiso 1 1 calc R . . C234 C 2.1723(6) -0.8781(3) 0.6311(4) 0.132(13) Uani 1 1 d G . . H41C H 2.2370 -0.8716 0.6270 0.158 Uiso 1 1 calc R . . C235 C 2.1191(7) -0.9028(3) 0.5992(4) 0.143(14) Uani 1 1 d G . . H41D H 2.1482 -0.9129 0.5738 0.172 Uiso 1 1 calc R . . C236 C 2.0224(7) -0.9124(2) 0.6053(4) 0.094(8) Uani 1 1 d G . . H41E H 1.9868 -0.9290 0.5840 0.113 Uiso 1 1 calc R . . C241 C 1.8609(7) -0.9285(3) 0.7125(3) 0.069(6) Uani 1 1 d G . . C242 C 1.8439(8) -0.9066(4) 0.7518(3) 0.102(8) Uani 1 1 d G . . H42A H 1.8279 -0.8805 0.7483 0.123 Uiso 1 1 calc R . . C243 C 1.8508(9) -0.9237(5) 0.7963(3) 0.17(2) Uani 1 1 d G . . H42B H 1.8394 -0.9091 0.8227 0.207 Uiso 1 1 calc R . . C244 C 1.8747(9) -0.9628(5) 0.8015(3) 0.18(2) Uani 1 1 d G . . H42C H 1.8793 -0.9742 0.8313 0.211 Uiso 1 1 calc R . . C245 C 1.8917(8) -0.9847(4) 0.7622(3) 0.20(2) Uani 1 1 d G . . H42D H 1.9077 -1.0108 0.7656 0.240 Uiso 1 1 calc R . . C246 C 1.8848(6) -0.9676(4) 0.7176(3) 0.157(15) Uani 1 1 d G . . H42E H 1.8962 -0.9823 0.6913 0.188 Uiso 1 1 calc R . . C251 C 1.6389(4) -0.9806(2) 0.5891(3) 0.064(6) Uani 1 1 d G . . C252 C 1.6226(5) -0.9863(2) 0.6360(3) 0.092(8) Uani 1 1 d G . . H43A H 1.6551 -0.9710 0.6597 0.111 Uiso 1 1 calc R . . C253 C 1.5578(6) -1.0150(3) 0.6475(3) 0.133(13) Uani 1 1 d G . . H43B H 1.5469 -1.0189 0.6789 0.160 Uiso 1 1 calc R . . C254 C 1.5092(6) -1.0380(3) 0.6121(4) 0.133(13) Uani 1 1 d G . . H43C H 1.4659 -1.0572 0.6197 0.160 Uiso 1 1 calc R . . C255 C 1.5255(6) -1.0322(3) 0.5651(4) 0.095(8) Uani 1 1 d G . . C256 C 1.5903(5) -1.0035(2) 0.5536(3) 0.073(6) Uani 1 1 d G . . H43D H 1.6012 -0.9996 0.5222 0.087 Uiso 1 1 calc R . . C261 C 1.7698(6) -0.9547(2) 0.5197(3) 0.062(5) Uani 1 1 d G . . C262 C 1.7335(8) -0.9393(3) 0.4761(3) 0.089(7) Uani 1 1 d G . . H44A H 1.6865 -0.9197 0.4745 0.107 Uiso 1 1 calc R . . C263 C 1.7674(9) -0.9531(4) 0.4349(3) 0.118(10) Uani 1 1 d G . . H44B H 1.7431 -0.9428 0.4057 0.142 Uiso 1 1 calc R . . C264 C 1.8376(8) -0.9825(4) 0.4373(3) 0.114(11) Uani 1 1 d G . . H44C H 1.8603 -0.9917 0.4098 0.137 Uiso 1 1 calc R . . C265 C 1.8739(7) -0.9979(3) 0.4810(3) 0.104(9) Uani 1 1 d G . . H44D H 1.9209 -1.0176 0.4826 0.125 Uiso 1 1 calc R . . C266 C 1.8400(6) -0.9841(3) 0.5222(3) 0.083(7) Uani 1 1 d G . . H44F H 1.8643 -0.9944 0.5514 0.099 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Pt1 0.0397(4) 0.0331(4) 0.0414(4) -0.0012(3) 0.0094(3) -0.0012(3) Pt2 0.0364(4) 0.0341(4) 0.0481(4) 0.0003(3) 0.0123(3) -0.0005(3) Ag1 0.0644(9) 0.0438(8) 0.0616(9) -0.0037(7) 0.0097(7) 0.0118(7) Ag2 0.0702(10) 0.0393(8) 0.0656(9) 0.0001(7) 0.0053(8) 0.0070(7) Ag3 0.0493(8) 0.0485(8) 0.0660(9) -0.0013(7) 0.0132(7) 0.0102(7) Ag4 0.0595(9) 0.0372(8) 0.0742(10) -0.0020(7) 0.0080(8) 0.0060(7) Cl1 0.276(17) 0.154(11) 0.297(18) -0.028(11) -0.089(14) 0.059(11) Cl2 0.221(13) 0.208(13) 0.194(12) -0.001(10) 0.033(10) -0.048(11) Cl3 0.261(18) 0.219(15) 0.311(19) -0.069(14) 0.023(15) -0.113(13) Cl4 0.247(17) 0.240(17) 0.35(2) -0.098(16) -0.015(16) -0.008(14) Cl5 0.29(2) 0.188(14) 0.41(3) -0.045(16) 0.065(19) 0.007(14) Cl6 0.30(3) 0.48(4) 0.27(2) -0.02(2) -0.010(19) 0.02(3) Cl7 0.33(6) 0.25(4) 0.72(11) 0.07(6) -0.18(7) -0.01(4) Cl8 0.40(6) 0.36(5) 0.20(3) 0.12(3) 0.04(3) 0.06(4) Cl9 0.36(5) 0.22(3) 0.63(8) 0.07(4) -0.32(6) 0.04(3) Cl10 0.84(11) 0.17(3) 0.20(3) 0.01(2) -0.17(5) -0.01(5) P1 0.034(2) 0.038(2) 0.043(2) 0.0006(19) 0.0118(19) 0.0046(19) P2 0.046(3) 0.034(2) 0.056(3) 0.000(2) 0.019(2) 0.002(2) P3 0.042(2) 0.036(2) 0.043(2) 0.0026(19) 0.008(2) -0.0012(19) P4 0.041(2) 0.038(2) 0.049(3) 0.006(2) 0.015(2) 0.003(2) P5 0.061(3) 0.049(3) 0.059(3) -0.003(2) 0.005(3) 0.007(2) P6 0.064(3) 0.041(3) 0.056(3) -0.007(2) 0.006(2) 0.006(2) P7 0.045(3) 0.050(3) 0.064(3) 0.001(2) 0.009(2) 0.004(2) P8 0.056(3) 0.039(3) 0.069(3) -0.002(2) 0.009(3) 0.003(2) N1 0.045(8) 0.043(8) 0.054(9) -0.009(7) 0.016(7) -0.005(7) N2 0.051(9) 0.063(10) 0.050(9) 0.005(7) 0.031(7) 0.002(8) N3 0.085(12) 0.059(10) 0.055(10) -0.004(8) -0.003(9) 0.015(9) N4 0.063(11) 0.065(11) 0.088(12) -0.003(9) 0.005(9) -0.011(9) C01 0.10(3) 0.50(10) 0.14(3) -0.04(5) 0.05(2) 0.00(4) C02 0.19(5) 0.33(7) 0.18(4) -0.10(4) 0.03(3) -0.14(5) C03 0.22(6) 0.18(5) 0.34(8) -0.09(5) 0.07(6) -0.03(4) C11 0.058(12) 0.056(12) 0.045(11) 0.016(9) 0.000(9) 0.034(10) C12 0.040(10) 0.095(15) 0.031(10) -0.003(10) -0.007(9) 0.001(10) C13 0.063(13) 0.060(13) 0.050(12) -0.011(10) -0.010(10) 0.024(10) C14 0.082(16) 0.044(12) 0.096(17) -0.016(11) 0.005(13) -0.008(11) C15 0.071(16) 0.059(14) 0.15(3) -0.052(17) 0.022(17) -0.014(12) C16 0.051(14) 0.12(2) 0.076(16) -0.028(16) -0.008(12) 0.013(15) C17 0.079(17) 0.10(2) 0.078(16) -0.011(15) -0.008(13) 0.006(15) C18 0.064(13) 0.056(12) 0.073(14) -0.019(11) -0.007(11) -0.004(10) C19 0.14(3) 0.15(3) 0.13(3) -0.07(2) -0.04(2) 0.00(2) C21 0.094(15) 0.039(10) 0.043(11) 0.000(8) 0.028(11) 0.025(10) C22 0.061(12) 0.041(10) 0.037(10) -0.009(8) 0.014(9) -0.010(9) C23 0.051(11) 0.042(10) 0.051(11) -0.001(9) 0.015(9) -0.012(9) C24 0.17(3) 0.11(2) 0.11(2) 0.01(2) -0.01(2) -0.06(2) C25 0.16(3) 0.19(4) 0.09(2) 0.03(2) -0.04(2) 0.00(3) C26 0.040(12) 0.099(19) 0.073(15) 0.005(14) -0.003(11) 0.000(12) C27 0.18(4) 0.10(2) 0.22(4) -0.05(3) -0.12(3) 0.00(2) C28 0.11(2) 0.12(2) 0.11(2) -0.017(19) -0.045(19) 0.00(2) C29 0.080(19) 0.21(4) 0.11(2) -0.06(2) -0.008(16) 0.00(2) C32 0.038(10) 0.062(12) 0.065(13) -0.007(10) 0.027(9) 0.021(9) C33 0.068(14) 0.058(12) 0.053(12) 0.000(10) 0.018(11) 0.009(10) C34 0.086(19) 0.15(3) 0.076(17) 0.006(17) -0.011(14) -0.041(18) C35 0.15(3) 0.16(3) 0.10(2) -0.01(2) -0.04(2) -0.05(3) C36 0.15(3) 0.059(15) 0.081(18) -0.014(13) 0.02(2) 0.003(16) C37 0.083(19) 0.17(3) 0.076(19) 0.013(19) 0.007(15) 0.00(2) C38 0.082(17) 0.15(3) 0.066(16) 0.026(16) -0.008(14) 0.025(17) C39 0.22(4) 0.19(4) 0.09(2) -0.03(2) -0.05(2) 0.08(3) C42 0.042(10) 0.051(11) 0.067(13) 0.020(10) 0.016(9) -0.002(8) C43 0.063(13) 0.056(12) 0.048(11) 0.005(9) 0.021(10) 0.000(10) C44 0.069(17) 0.19(3) 0.061(15) 0.024(17) 0.003(13) -0.041(18) C45 0.10(2) 0.17(3) 0.062(16) 0.024(17) -0.010(15) -0.04(2) C46 0.15(3) 0.066(15) 0.054(14) 0.016(11) 0.003(17) -0.022(16) C47 0.11(2) 0.099(19) 0.061(15) -0.019(13) 0.007(14) 0.012(16) C48 0.049(12) 0.095(17) 0.069(14) -0.017(12) -0.001(11) 0.004(11) C49 0.21(4) 0.11(2) 0.065(16) -0.014(15) 0.011(19) -0.04(2) C111 0.049(11) 0.046(10) 0.051(11) 0.014(8) 0.008(9) 0.001(8) C112 0.061(14) 0.14(2) 0.056(13) -0.004(14) 0.020(11) -0.002(14) C113 0.10(2) 0.15(3) 0.068(16) 0.012(15) 0.039(15) 0.076(19) C114 0.13(2) 0.087(18) 0.066(15) -0.011(13) 0.002(17) 0.029(17) C115 0.092(18) 0.13(2) 0.059(14) 0.020(14) 0.023(13) -0.002(16) C116 0.057(12) 0.059(12) 0.054(12) 0.010(9) 0.007(10) -0.011(10) C121 0.033(9) 0.056(11) 0.048(10) 0.005(9) 0.013(8) 0.010(9) C122 0.044(11) 0.053(12) 0.073(13) -0.007(10) 0.015(10) -0.002(9) C123 0.044(12) 0.079(16) 0.083(15) -0.009(12) 0.009(11) -0.022(11) C124 0.054(13) 0.064(15) 0.104(18) 0.017(13) 0.001(12) 0.003(12) C125 0.071(16) 0.069(16) 0.13(2) 0.017(15) 0.044(15) 0.022(13) C126 0.049(12) 0.046(11) 0.081(14) 0.007(10) 0.019(10) -0.010(9) C131 0.035(10) 0.042(10) 0.080(13) 0.006(9) 0.015(9) -0.001(8) C132 0.051(11) 0.062(12) 0.059(12) 0.010(10) 0.017(10) -0.006(10) C133 0.090(18) 0.094(18) 0.070(15) 0.021(13) 0.026(13) -0.027(15) C134 0.094(19) 0.092(18) 0.090(18) 0.061(15) 0.011(16) -0.012(15) C135 0.070(15) 0.087(17) 0.109(19) 0.075(16) 0.015(14) 0.008(13) C136 0.059(13) 0.068(14) 0.107(18) 0.014(13) 0.034(13) 0.023(11) C141 0.026(8) 0.036(10) 0.061(11) 0.002(8) 0.016(8) -0.011(7) C142 0.065(12) 0.030(9) 0.075(13) -0.019(9) 0.027(11) -0.031(9) C143 0.083(17) 0.091(19) 0.088(17) -0.022(15) 0.024(13) -0.033(14) C144 0.054(15) 0.11(2) 0.11(2) -0.058(18) 0.027(14) -0.037(14) C145 0.093(19) 0.029(12) 0.19(3) -0.052(16) 0.03(2) -0.019(12) C146 0.072(14) 0.032(11) 0.131(19) -0.012(12) 0.040(14) -0.003(10) C151 0.040(10) 0.058(12) 0.047(10) 0.003(9) 0.018(8) -0.017(9) C152 0.088(15) 0.064(13) 0.043(11) 0.010(10) 0.008(10) 0.001(11) C153 0.103(18) 0.059(13) 0.051(12) 0.000(10) -0.012(12) -0.009(12) C154 0.11(2) 0.11(2) 0.043(12) 0.005(13) 0.008(12) 0.005(16) C155 0.095(17) 0.076(16) 0.055(13) 0.006(12) 0.008(12) 0.006(13) C156 0.089(15) 0.044(11) 0.053(12) 0.002(9) 0.012(11) 0.002(10) C161 0.049(11) 0.050(11) 0.042(10) 0.005(8) -0.005(8) -0.007(9) C162 0.047(12) 0.054(12) 0.090(15) -0.003(11) -0.001(10) -0.014(10) C163 0.10(2) 0.062(16) 0.14(2) 0.006(16) -0.005(17) -0.029(15) C164 0.13(3) 0.059(16) 0.12(2) 0.009(15) -0.02(2) -0.020(17) C165 0.080(16) 0.042(12) 0.081(15) -0.004(10) 0.003(12) 0.018(11) C166 0.069(13) 0.036(11) 0.068(12) -0.002(9) 0.026(10) 0.004(9) C171 0.020(8) 0.044(10) 0.071(12) 0.004(9) 0.021(8) -0.013(7) C172 0.035(11) 0.070(14) 0.088(15) -0.013(12) 0.005(10) 0.009(10) C173 0.052(13) 0.095(17) 0.095(17) -0.052(14) 0.014(12) -0.023(13) C174 0.033(12) 0.12(2) 0.088(16) -0.004(15) -0.002(11) -0.024(13) C175 0.052(13) 0.090(18) 0.085(16) 0.005(14) 0.001(12) -0.008(12) C176 0.053(12) 0.045(11) 0.080(14) 0.006(10) 0.011(11) -0.006(10) C181 0.047(11) 0.057(12) 0.063(12) -0.002(10) 0.022(9) -0.009(9) C182 0.054(12) 0.084(15) 0.073(14) 0.007(12) 0.030(11) 0.016(11) C183 0.105(19) 0.082(17) 0.086(17) 0.008(14) 0.049(15) -0.001(15) C184 0.079(16) 0.086(18) 0.104(19) -0.024(15) 0.054(15) -0.004(14) C185 0.061(13) 0.061(13) 0.097(17) -0.012(12) 0.031(13) 0.006(11) C186 0.072(13) 0.045(11) 0.068(13) -0.007(10) 0.016(11) 0.006(10) C191 0.070(14) 0.046(12) 0.077(15) 0.012(10) -0.007(11) 0.012(10) C192 0.10(2) 0.093(18) 0.076(17) 0.000(15) 0.004(15) 0.018(15) C193 0.16(3) 0.14(3) 0.09(2) 0.05(2) 0.07(2) 0.05(2) C194 0.09(2) 0.14(3) 0.17(3) 0.10(3) 0.03(2) 0.04(2) C195 0.15(3) 0.08(2) 0.17(3) 0.05(2) 0.01(3) -0.015(19) C196 0.092(18) 0.056(14) 0.12(2) 0.011(14) -0.012(16) 0.005(13) C201 0.082(15) 0.070(14) 0.070(14) -0.004(11) 0.030(12) -0.017(12) C202 0.087(19) 0.090(19) 0.16(3) -0.025(18) -0.001(18) 0.034(16) C203 0.09(2) 0.12(3) 0.17(3) 0.01(2) 0.02(2) 0.062(19) C204 0.08(2) 0.20(5) 0.36(7) -0.09(5) -0.02(3) 0.02(3) C205 0.13(4) 0.22(5) 0.54(11) -0.17(6) -0.12(5) 0.05(4) C206 0.11(3) 0.11(3) 0.36(6) -0.03(3) -0.10(3) -0.02(2) C211 0.089(15) 0.045(11) 0.045(11) 0.004(9) 0.015(10) 0.001(10) C212 0.10(2) 0.066(15) 0.098(18) -0.010(13) -0.014(15) 0.013(14) C213 0.10(2) 0.083(19) 0.14(2) -0.025(17) -0.024(18) -0.033(16) C214 0.14(2) 0.056(15) 0.11(2) -0.017(14) -0.007(18) -0.012(16) C215 0.14(3) 0.047(15) 0.22(4) -0.057(19) 0.00(3) 0.016(17) C216 0.11(2) 0.050(15) 0.22(3) -0.037(18) -0.04(2) 0.033(15) C221 0.069(14) 0.061(13) 0.055(12) -0.009(10) -0.001(10) -0.004(11) C222 0.084(19) 0.15(3) 0.10(2) 0.008(19) 0.013(16) 0.020(19) C223 0.067(18) 0.19(4) 0.18(3) -0.05(3) 0.05(2) 0.03(2) C224 0.09(2) 0.14(3) 0.16(3) -0.05(2) 0.06(2) -0.06(2) C225 0.13(3) 0.17(3) 0.12(2) 0.00(2) 0.07(2) -0.02(3) C226 0.069(15) 0.095(18) 0.103(19) 0.005(15) 0.023(14) 0.006(13) C231 0.043(10) 0.042(10) 0.071(12) -0.003(9) 0.012(10) 0.020(9) C232 0.057(14) 0.11(2) 0.11(2) -0.013(16) 0.037(14) -0.007(14) C233 0.067(17) 0.076(17) 0.17(3) 0.000(18) 0.034(18) -0.012(13) C234 0.059(18) 0.16(3) 0.18(3) 0.08(3) 0.017(19) -0.017(18) C235 0.064(18) 0.23(4) 0.14(3) 0.05(3) 0.053(19) 0.04(2) C236 0.073(16) 0.102(19) 0.11(2) -0.008(16) 0.031(15) 0.011(14) C241 0.048(12) 0.080(15) 0.080(15) 0.014(12) 0.009(11) 0.008(11) C242 0.12(2) 0.13(2) 0.064(16) 0.005(16) 0.019(15) -0.003(18) C243 0.11(3) 0.33(6) 0.07(2) 0.06(3) 0.011(18) 0.06(3) C244 0.11(3) 0.27(6) 0.15(3) 0.12(4) 0.02(2) -0.01(3) C245 0.31(6) 0.16(4) 0.13(3) 0.08(3) 0.00(4) 0.01(4) C246 0.24(4) 0.10(2) 0.13(3) 0.05(2) -0.01(3) 0.00(3) C251 0.056(12) 0.032(10) 0.107(17) 0.015(11) 0.024(12) 0.008(9) C252 0.13(2) 0.057(14) 0.092(18) 0.002(13) 0.009(16) -0.002(14) C253 0.14(3) 0.10(2) 0.17(3) 0.06(2) 0.10(3) 0.01(2) C254 0.14(3) 0.068(19) 0.20(4) 0.01(2) 0.02(3) -0.033(18) C255 0.074(16) 0.067(16) 0.15(2) -0.011(16) 0.020(17) -0.021(13) C256 0.056(13) 0.057(13) 0.104(17) -0.014(12) 0.004(12) -0.016(11) C261 0.046(11) 0.062(13) 0.080(14) -0.004(11) 0.020(10) 0.000(10) C262 0.081(17) 0.084(17) 0.105(19) 0.008(15) 0.024(15) 0.005(14) C263 0.14(3) 0.16(3) 0.071(17) -0.019(18) 0.049(17) -0.01(2) C264 0.09(2) 0.13(3) 0.13(3) -0.07(2) 0.037(18) -0.003(18) C265 0.068(17) 0.11(2) 0.13(2) -0.049(19) 0.002(16) 0.010(15) C266 0.069(15) 0.070(15) 0.111(19) -0.046(14) 0.017(13) 0.000(12) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Pt1 C21 1.97(2) . ? Pt1 C11 2.04(2) . ? Pt1 P3 2.346(4) . ? Pt1 P1 2.360(4) . ? Pt1 Ag1 2.9027(15) . ? Pt1 Ag2 2.9265(16) . ? Pt1 Pt2 3.1116(9) . ? Pt2 C31 1.975(15) . ? Pt2 C41 1.977(15) . ? Pt2 P4 2.357(4) . ? Pt2 P2 2.368(4) . ? Pt2 Ag4 2.8762(15) . ? Pt2 Ag3 2.9106(15) . ? Ag1 C11 2.276(16) . ? Ag1 P6 2.375(5) . ? Ag1 C12 2.595(18) . ? Ag1 Ag2 3.330(2) . ? Ag2 C21 2.320(17) . ? Ag2 P5 2.398(5) . ? Ag2 C22 2.575(16) . ? Ag3 C31 2.294(15) . ? Ag3 P7 2.375(5) . ? Ag3 C32 2.509(16) . ? Ag3 Ag4 3.236(2) . ? Ag4 C41 2.302(15) . ? Ag4 P8 2.387(5) . ? Ag4 C42 2.614(17) . ? Cl1 C01 1.763(5) . ? Cl2 C01 1.763(5) . ? Cl3 C02 1.764(5) . ? Cl4 C02 1.762(5) . ? Cl5 C03 1.764(5) . ? Cl6 C03 1.765(5) . ? Cl7 C04 1.767(5) . ? Cl8 C04 1.765(5) . ? Cl9 C05 1.766(5) . ? Cl10 C05 1.767(5) . ? P1 N1 1.626(14) . ? P1 C121 1.820(16) . ? P1 C111 1.821(18) . ? P2 N1 1.613(14) . ? P2 C131 1.813(19) . ? P2 C141 1.826(17) . ? P3 N2 1.607(15) . ? P3 C161 1.828(17) . ? P3 C151 1.833(17) . ? P4 N2 1.575(15) . ? P4 C181 1.834(18) . ? P4 C171 1.841(17) . ? P5 N3 1.574(16) . ? P5 C201 1.814(9) . ? P5 C191 1.823(13) . ? P6 N3 1.635(16) . ? P6 C211 1.834(8) . ? P6 C221 1.843(8) . ? P7 N4 1.611(17) . ? P7 C241 1.826(10) . ? P7 C231 1.833(10) . ? P8 N4 1.602(17) . ? P8 C261 1.846(9) . ? P8 C251 1.878(8) . ? C11 C12 1.22(2) . ? C12 C13 1.38(3) . ? C13 C18 1.37(3) . ? C13 C14 1.42(3) . ? C14 C15 1.37(3) . ? C15 C16 1.39(3) . ? C16 C17 1.37(3) . ? C16 C19 1.53(3) . ? C17 C18 1.35(3) . ? C21 C22 1.26(2) . ? C22 C23 1.40(2) . ? C23 C24 1.33(3) . ? C23 C28 1.37(3) . ? C24 C25 1.46(4) . ? C25 C26 1.33(4) . ? C26 C27 1.25(4) . ? C26 C29 1.50(3) . ? C27 C28 1.43(4) . ? C31 C32 1.21(2) . ? C32 C33 1.44(3) . ? C33 C38 1.37(3) . ? C33 C34 1.37(3) . ? C34 C35 1.38(4) . ? C35 C36 1.41(4) . ? C36 C37 1.29(4) . ? C36 C39 1.60(4) . ? C37 C38 1.35(3) . ? C41 C42 1.22(2) . ? C42 C43 1.48(3) . ? C43 C44 1.36(3) . ? C43 C48 1.36(3) . ? C44 C45 1.36(3) . ? C45 C46 1.38(4) . ? C46 C47 1.34(3) . ? C46 C49 1.50(3) . ? C47 C48 1.37(3) . ? C111 C112 1.36(3) . ? C111 C116 1.39(2) . ? C112 C113 1.39(3) . ? C113 C114 1.32(3) . ? C114 C115 1.41(3) . ? C115 C116 1.38(3) . ? C121 C122 1.39(2) . ? C121 C126 1.40(2) . ? C122 C123 1.38(3) . ? C123 C124 1.34(3) . ? C124 C125 1.35(3) . ? C125 C126 1.38(3) . ? C131 C132 1.39(2) . ? C131 C136 1.41(3) . ? C132 C133 1.40(3) . ? C133 C134 1.37(3) . ? C134 C135 1.35(3) . ? C135 C136 1.36(3) . ? C141 C142 1.39(2) . ? C141 C146 1.41(2) . ? C142 C143 1.33(3) . ? C143 C144 1.41(4) . ? C144 C145 1.32(4) . ? C145 C146 1.40(3) . ? C151 C156 1.38(2) . ? C151 C152 1.40(3) . ? C152 C153 1.35(3) . ? C153 C154 1.37(3) . ? C154 C155 1.36(3) . ? C155 C156 1.38(3) . ? C161 C162 1.40(2) . ? C161 C166 1.41(2) . ? C162 C163 1.39(3) . ? C163 C164 1.36(4) . ? C164 C165 1.37(3) . ? C165 C166 1.38(3) . ? C171 C172 1.37(2) . ? C171 C176 1.38(2) . ? C172 C173 1.37(3) . ? C173 C174 1.38(3) . ? C174 C175 1.36(3) . ? C175 C176 1.38(3) . ? C181 C186 1.40(3) . ? C181 C182 1.40(3) . ? C182 C183 1.40(3) . ? C183 C184 1.38(3) . ? C184 C185 1.34(3) . ? C185 C186 1.40(3) . ? C191 C192 1.3900 . ? C191 C196 1.3900 . ? C192 C193 1.3900 . ? C193 C194 1.3900 . ? C194 C195 1.3900 . ? C195 C196 1.3900 . ? C201 C202 1.3900 . ? C201 C206 1.3900 . ? C202 C203 1.3900 . ? C203 C204 1.3900 . ? C204 C205 1.3900 . ? C205 C206 1.3900 . ? C211 C212 1.3900 . ? C211 C216 1.3900 . ? C212 C213 1.3900 . ? C213 C214 1.3900 . ? C214 C215 1.3900 . ? C215 C216 1.3900 . ? C221 C222 1.3900 . ? C221 C226 1.3900 . ? C222 C223 1.3900 . ? C223 C224 1.3900 . ? C224 C225 1.3900 . ? C225 C226 1.3900 . ? C231 C232 1.3900 . ? C231 C236 1.3900 . ? C232 C233 1.3900 . ? C233 C234 1.3900 . ? C234 C235 1.3900 . ? C235 C236 1.3900 . ? C241 C242 1.3900 . ? C241 C246 1.3900 . ? C242 C243 1.3900 . ? C243 C244 1.3900 . ? C244 C245 1.3900 . ? C245 C246 1.3900 . ? C251 C252 1.3900 . ? C251 C256 1.3900 . ? C252 C253 1.3900 . ? C253 C254 1.3900 . ? C254 C255 1.3900 . ? C255 C256 1.3900 . ? C261 C262 1.3900 . ? C261 C266 1.3900 . ? C262 C263 1.3900 . ? C263 C264 1.3900 . ? C264 C265 1.3900 . ? C265 C266 1.3900 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C21 Pt1 C11 169.8(7) . . ? C21 Pt1 P3 91.9(6) . . ? C11 Pt1 P3 85.3(5) . . ? C21 Pt1 P1 85.7(6) . . ? C11 Pt1 P1 98.1(5) . . ? P3 Pt1 P1 173.10(15) . . ? C21 Pt1 Ag1 120.2(5) . . ? C11 Pt1 Ag1 51.3(4) . . ? P3 Pt1 Ag1 101.88(11) . . ? P1 Pt1 Ag1 84.88(11) . . ? C21 Pt1 Ag2 52.2(5) . . ? C11 Pt1 Ag2 117.9(4) . . ? P3 Pt1 Ag2 90.02(11) . . ? P1 Pt1 Ag2 93.67(11) . . ? Ag1 Pt1 Ag2 69.67(4) . . ? C21 Pt1 Pt2 99.0(5) . . ? C11 Pt1 Pt2 90.6(4) . . ? P3 Pt1 Pt2 86.93(11) . . ? P1 Pt1 Pt2 87.02(10) . . ? Ag1 Pt1 Pt2 139.12(4) . . ? Ag2 Pt1 Pt2 150.96(4) . . ? C31 Pt2 C41 169.6(6) . . ? C31 Pt2 P4 92.4(4) . . ? C41 Pt2 P4 86.7(4) . . ? C31 Pt2 P2 89.5(4) . . ? C41 Pt2 P2 92.5(4) . . ? P4 Pt2 P2 174.06(15) . . ? C31 Pt2 Ag4 117.4(4) . . ? C41 Pt2 Ag4 52.8(4) . . ? P4 Pt2 Ag4 100.93(11) . . ? P2 Pt2 Ag4 83.16(11) . . ? C31 Pt2 Ag3 51.8(4) . . ? C41 Pt2 Ag3 117.8(4) . . ? P4 Pt2 Ag3 87.19(11) . . ? P2 Pt2 Ag3 98.38(12) . . ? Ag4 Pt2 Ag3 67.99(4) . . ? C31 Pt2 Pt1 97.6(4) . . ? C41 Pt2 Pt1 92.8(4) . . ? P4 Pt2 Pt1 86.86(11) . . ? P2 Pt2 Pt1 87.31(11) . . ? Ag4 Pt2 Pt1 143.50(4) . . ? Ag3 Pt2 Pt1 148.47(4) . . ? C11 Ag1 P6 170.5(5) . . ? C11 Ag1 C12 27.9(6) . . ? P6 Ag1 C12 146.8(5) . . ? C11 Ag1 Pt1 44.3(5) . . ? P6 Ag1 Pt1 138.60(13) . . ? C12 Ag1 Pt1 72.2(4) . . ? C11 Ag1 Ag2 97.7(5) . . ? P6 Ag1 Ag2 83.35(13) . . ? C12 Ag1 Ag2 123.5(4) . . ? Pt1 Ag1 Ag2 55.50(4) . . ? C21 Ag2 P5 177.5(6) . . ? C21 Ag2 C22 29.1(6) . . ? P5 Ag2 C22 152.2(4) . . ? C21 Ag2 Pt1 42.1(5) . . ? P5 Ag2 Pt1 136.60(14) . . ? C22 Ag2 Pt1 71.2(4) . . ? C21 Ag2 Ag1 95.8(5) . . ? P5 Ag2 Ag1 83.41(13) . . ? C22 Ag2 Ag1 123.9(4) . . ? Pt1 Ag2 Ag1 54.83(4) . . ? C31 Ag3 P7 174.0(4) . . ? C31 Ag3 C32 28.7(5) . . ? P7 Ag3 C32 147.2(5) . . ? C31 Ag3 Pt2 42.6(4) . . ? P7 Ag3 Pt2 140.71(14) . . ? C32 Ag3 Pt2 71.3(4) . . ? C31 Ag3 Ag4 96.5(4) . . ? P7 Ag3 Ag4 85.73(13) . . ? C32 Ag3 Ag4 123.6(4) . . ? Pt2 Ag3 Ag4 55.50(4) . . ? C41 Ag4 P8 169.2(4) . . ? C41 Ag4 C42 27.8(5) . . ? P8 Ag4 C42 144.9(4) . . ? C41 Ag4 Pt2 43.1(4) . . ? P8 Ag4 Pt2 141.37(14) . . ? C42 Ag4 Pt2 70.9(4) . . ? C41 Ag4 Ag3 97.6(4) . . ? P8 Ag4 Ag3 84.98(13) . . ? C42 Ag4 Ag3 123.1(4) . . ? Pt2 Ag4 Ag3 56.51(4) . . ? N1 P1 C121 103.4(8) . . ? N1 P1 C111 105.9(7) . . ? C121 P1 C111 101.1(8) . . ? N1 P1 Pt1 114.1(5) . . ? C121 P1 Pt1 112.0(5) . . ? C111 P1 Pt1 118.5(6) . . ? N1 P2 C131 106.1(8) . . ? N1 P2 C141 101.8(7) . . ? C131 P2 C141 102.5(8) . . ? N1 P2 Pt2 116.0(5) . . ? C131 P2 Pt2 114.8(6) . . ? C141 P2 Pt2 114.1(5) . . ? N2 P3 C161 106.4(8) . . ? N2 P3 C151 107.0(8) . . ? C161 P3 C151 101.1(8) . . ? N2 P3 Pt1 114.8(5) . . ? C161 P3 Pt1 114.1(6) . . ? C151 P3 Pt1 112.3(5) . . ? N2 P4 C181 104.9(8) . . ? N2 P4 C171 107.1(8) . . ? C181 P4 C171 102.8(8) . . ? N2 P4 Pt2 114.3(5) . . ? C181 P4 Pt2 113.2(6) . . ? C171 P4 Pt2 113.6(5) . . ? N3 P5 C201 108.5(7) . . ? N3 P5 C191 103.9(8) . . ? C201 P5 C191 97.8(6) . . ? N3 P5 Ag2 120.6(6) . . ? C201 P5 Ag2 109.2(4) . . ? C191 P5 Ag2 114.5(5) . . ? N3 P6 C211 105.4(7) . . ? N3 P6 C221 109.0(7) . . ? C211 P6 C221 100.7(4) . . ? N3 P6 Ag1 117.1(6) . . ? C211 P6 Ag1 108.9(3) . . ? C221 P6 Ag1 114.1(3) . . ? N4 P7 C241 107.6(7) . . ? N4 P7 C231 106.3(7) . . ? C241 P7 C231 103.9(5) . . ? N4 P7 Ag3 119.9(7) . . ? C241 P7 Ag3 107.6(4) . . ? C231 P7 Ag3 110.5(3) . . ? N4 P8 C261 107.1(7) . . ? N4 P8 C251 105.6(7) . . ? C261 P8 C251 104.2(4) . . ? N4 P8 Ag4 120.3(7) . . ? C261 P8 Ag4 105.4(4) . . ? C251 P8 Ag4 113.0(3) . . ? P2 N1 P1 129.1(9) . . ? P4 N2 P3 133.2(9) . . ? P5 N3 P6 126.8(10) . . ? P8 N4 P7 127.3(11) . . ? Cl2 C01 Cl1 110.4(4) . . ? Cl4 C02 Cl3 110.5(4) . . ? Cl5 C03 Cl6 110.4(5) . . ? Cl8 C04 Cl7 110.2(5) . . ? Cl9 C05 Cl10 109.9(4) . . ? C12 C11 Pt1 173.7(16) . . ? C12 C11 Ag1 90.8(13) . . ? Pt1 C11 Ag1 84.4(6) . . ? C11 C12 C13 173(2) . . ? C11 C12 Ag1 61.2(11) . . ? C13 C12 Ag1 125.7(14) . . ? C18 C13 C12 123(2) . . ? C18 C13 C14 115.3(18) . . ? C12 C13 C14 121.9(19) . . ? C15 C14 C13 120(2) . . ? C14 C15 C16 121(2) . . ? C17 C16 C15 119(2) . . ? C17 C16 C19 124(3) . . ? C15 C16 C19 118(3) . . ? C18 C17 C16 119(2) . . ? C17 C18 C13 125(2) . . ? C22 C21 Pt1 172.1(15) . . ? C22 C21 Ag2 86.8(12) . . ? Pt1 C21 Ag2 85.7(7) . . ? C21 C22 C23 172.2(19) . . ? C21 C22 Ag2 64.1(10) . . ? C23 C22 Ag2 122.9(13) . . ? C24 C23 C28 113(2) . . ? C24 C23 C22 123.0(19) . . ? C28 C23 C22 123.7(19) . . ? C23 C24 C25 123(3) . . ? C26 C25 C24 121(3) . . ? C27 C26 C25 115(3) . . ? C27 C26 C29 121(3) . . ? C25 C26 C29 124(3) . . ? C26 C27 C28 126(3) . . ? C23 C28 C27 120(3) . . ? C32 C31 Pt2 170.7(14) . . ? C32 C31 Ag3 85.6(11) . . ? Pt2 C31 Ag3 85.6(6) . . ? C31 C32 C33 176.5(19) . . ? C31 C32 Ag3 65.7(10) . . ? C33 C32 Ag3 115.9(12) . . ? C38 C33 C34 114(2) . . ? C38 C33 C32 120(2) . . ? C34 C33 C32 126(2) . . ? C33 C34 C35 121(3) . . ? C34 C35 C36 119(3) . . ? C37 C36 C35 120(3) . . ? C37 C36 C39 121(3) . . ? C35 C36 C39 119(3) . . ? C36 C37 C38 119(3) . . ? C37 C38 C33 126(3) . . ? C42 C41 Pt2 172.6(14) . . ? C42 C41 Ag4 90.5(12) . . ? Pt2 C41 Ag4 84.1(5) . . ? C41 C42 C43 173.0(18) . . ? C41 C42 Ag4 61.7(10) . . ? C43 C42 Ag4 125.2(12) . . ? C44 C43 C48 117.2(19) . . ? C44 C43 C42 121.7(19) . . ? C48 C43 C42 121.2(18) . . ? C43 C44 C45 121(2) . . ? C44 C45 C46 121(2) . . ? C47 C46 C45 117(2) . . ? C47 C46 C49 121(3) . . ? C45 C46 C49 122(3) . . ? C46 C47 C48 122(2) . . ? C43 C48 C47 122(2) . . ? C112 C111 C116 117.0(18) . . ? C112 C111 P1 125.0(15) . . ? C116 C111 P1 117.2(14) . . ? C111 C112 C113 123(2) . . ? C114 C113 C112 119(2) . . ? C113 C114 C115 122(2) . . ? C116 C115 C114 118(2) . . ? C115 C116 C111 122(2) . . ? C122 C121 C126 117.7(16) . . ? C122 C121 P1 120.9(13) . . ? C126 C121 P1 121.3(14) . . ? C123 C122 C121 119.6(18) . . ? C124 C123 C122 122(2) . . ? C123 C124 C125 119(2) . . ? C124 C125 C126 122(2) . . ? C125 C126 C121 119.8(19) . . ? C132 C131 C136 116.6(18) . . ? C132 C131 P2 118.5(14) . . ? C136 C131 P2 124.8(15) . . ? C131 C132 C133 119(2) . . ? C134 C133 C132 123(2) . . ? C135 C134 C133 118(2) . . ? C134 C135 C136 122(2) . . ? C135 C136 C131 122(2) . . ? C142 C141 C146 118.0(17) . . ? C142 C141 P2 116.2(12) . . ? C146 C141 P2 125.7(16) . . ? C143 C142 C141 123(2) . . ? C142 C143 C144 118(2) . . ? C145 C144 C143 122(2) . . ? C144 C145 C146 121(2) . . ? C145 C146 C141 118(2) . . ? C156 C151 C152 117.5(16) . . ? C156 C151 P3 125.4(14) . . ? C152 C151 P3 117.1(14) . . ? C153 C152 C151 121.6(19) . . ? C152 C153 C154 120(2) . . ? C155 C154 C153 120(2) . . ? C154 C155 C156 121(2) . . ? C155 C156 C151 120.4(19) . . ? C162 C161 C166 117.3(17) . . ? C162 C161 P3 120.4(14) . . ? C166 C161 P3 122.1(13) . . ? C163 C162 C161 121(2) . . ? C164 C163 C162 119(2) . . ? C163 C164 C165 122(2) . . ? C164 C165 C166 119(2) . . ? C165 C166 C161 121.2(19) . . ? C172 C171 C176 116.8(17) . . ? C172 C171 P4 118.1(14) . . ? C176 C171 P4 125.1(14) . . ? C173 C172 C171 123.0(19) . . ? C172 C173 C174 119(2) . . ? C175 C174 C173 119(2) . . ? C174 C175 C176 122(2) . . ? C175 C176 C171 120.5(19) . . ? C186 C181 C182 118.9(18) . . ? C186 C181 P4 123.8(14) . . ? C182 C181 P4 117.2(15) . . ? C183 C182 C181 119(2) . . ? C184 C183 C182 121(2) . . ? C185 C184 C183 120(2) . . ? C184 C185 C186 121(2) . . ? C181 C186 C185 120.0(19) . . ? C192 C191 C196 120.0 . . ? C192 C191 P5 120.2(10) . . ? C196 C191 P5 119.7(10) . . ? C191 C192 C193 120.0 . . ? C192 C193 C194 120.0 . . ? C195 C194 C193 120.0 . . ? C194 C195 C196 120.0 . . ? C195 C196 C191 120.0 . . ? C202 C201 C206 120.0 . . ? C202 C201 P5 124.1(3) . . ? C206 C201 P5 115.7(3) . . ? C203 C202 C201 120.0 . . ? C202 C203 C204 120.0 . . ? C205 C204 C203 120.0 . . ? C206 C205 C204 120.0 . . ? C205 C206 C201 120.0 . . ? C212 C211 C216 120.0 . . ? C212 C211 P6 118.6(2) . . ? C216 C211 P6 121.3(2) . . ? C211 C212 C213 120.0 . . ? C214 C213 C212 120.0 . . ? C213 C214 C215 120.0 . . ? C214 C215 C216 120.0 . . ? C215 C216 C211 120.0 . . ? C222 C221 C226 120.0 . . ? C222 C221 P6 122.1(2) . . ? C226 C221 P6 117.9(2) . . ? C223 C222 C221 120.0 . . ? C222 C223 C224 120.0 . . ? C225 C224 C223 120.0 . . ? C224 C225 C226 120.0 . . ? C225 C226 C221 120.0 . . ? C232 C231 C236 120.0 . . ? C232 C231 P7 117.4(4) . . ? C236 C231 P7 122.6(4) . . ? C233 C232 C231 120.0 . . ? C232 C233 C234 120.0 . . ? C235 C234 C233 120.0 . . ? C234 C235 C236 120.0 . . ? C235 C236 C231 120.0 . . ? C242 C241 C246 120.0 . . ? C242 C241 P7 121.8(3) . . ? C246 C241 P7 118.2(3) . . ? C241 C242 C243 120.0 . . ? C244 C243 C242 120.0 . . ? C243 C244 C245 120.0 . . ? C246 C245 C244 120.0 . . ? C245 C246 C241 120.0 . . ? C252 C251 C256 120.0 . . ? C252 C251 P8 118.0(3) . . ? C256 C251 P8 122.0(3) . . ? C251 C252 C253 120.0 . . ? C254 C253 C252 120.0 . . ? C253 C254 C255 120.0 . . ? C254 C255 C256 120.0 . . ? C255 C256 C251 120.0 . . ? C262 C261 C266 120.0 . . ? C262 C261 P8 122.4(3) . . ? C266 C261 P8 117.5(3) . . ? C263 C262 C261 120.0 . . ? C262 C263 C264 120.0 . . ? C265 C264 C263 120.0 . . ? C264 C265 C266 120.0 . . ? C265 C266 C261 120.0 . . ? _diffrn_measured_fraction_theta_max 1.000 _diffrn_reflns_theta_full 22.50 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max 1.874 _refine_diff_density_min -1.602 _refine_diff_density_rms 0.285 #====END #--------------------------------------------------------------------------= data_3 #(Complex 3(SbF6)2) _database_code_CSD 210712 _audit_creation_method SHELXL-97 _chemical_name_systematic ; 3(SbF6)2 ; _chemical_name_common 3(SbF6)2 _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C35 H36 Ag F6 N O3 P2 Pt0.50 Sb' _chemical_formula_weight 1021.75 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Orthorhombic _symmetry_space_group_name_H-M Pbca loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' '-x, -y, -z' 'x-1/2, y, -z-1/2' 'x, -y-1/2, z-1/2' '-x-1/2, y-1/2, z' _cell_length_a 18.1670(3) _cell_length_b 20.5004(4) _cell_length_c 22.0406(3) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 8208.6(2) _cell_formula_units_Z 8 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 245 _cell_measurement_theta_min 2.45 _cell_measurement_theta_max 24.99 _exptl_crystal_description prism _exptl_crystal_colour yellow _exptl_crystal_size_max .64 _exptl_crystal_size_mid .60 _exptl_crystal_size_min .60 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.654 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3984 _exptl_absorpt_coefficient_mu 2.968 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min .7727 _exptl_absorpt_correction_T_max 1.0000 _exptl_absorpt_process_details 'SADABS (Sheldrick, 1996)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Siemens SMART CCD' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number none _diffrn_standards_interval_count none _diffrn_standards_interval_time none _diffrn_standards_decay_% none _diffrn_reflns_number 19029 _diffrn_reflns_av_R_equivalents 0.0414 _diffrn_reflns_av_sigmaI/netI 0.0423 _diffrn_reflns_limit_h_min -21 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_k_max 23 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_theta_min 2.45 _diffrn_reflns_theta_max 24.99 _reflns_number_total 7021 _reflns_number_gt 4524 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Siemens SMART' _computing_cell_refinement 'Siemens SMART & SAINT' _computing_data_reduction 'Siemens XPREP' _computing_structure_solution 'Siemens SHELXTL' _computing_structure_refinement 'Siemens SHELXTL' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w==1/[\s^2^(Fo^2^)+(0.0301P)^2^+50.9577P] where P==(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 7021 _refine_ls_number_parameters 448 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0937 _refine_ls_R_factor_gt 0.0502 _refine_ls_wR_factor_ref 0.1321 _refine_ls_wR_factor_gt 0.1106 _refine_ls_goodness_of_fit_ref 1.166 _refine_ls_restrained_S_all 1.166 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Pt1 Pt 1.0000 0.5000 0.0000 0.04176(14) Uani 1 2 d S . . Ag1 Ag 1.00952(5) 0.62152(4) 0.09757(3) 0.0664(2) Uani 1 1 d . . . Sb1 Sb 0.67582(6) 0.76936(4) 0.23034(4) 0.0982(3) Uani 1 1 d . . . P1 P 0.88477(12) 0.45528(11) 0.01740(10) 0.0447(5) Uani 1 1 d . . . P2 P 1.03668(13) 0.67436(12) 0.00180(11) 0.0495(5) Uani 1 1 d . . . F1 F 0.7154(8) 0.7807(7) 0.1519(5) 0.231(6) Uani 1 1 d . . . F2 F 0.5959(8) 0.8107(6) 0.2001(7) 0.268(9) Uani 1 1 d . . . F3 F 0.7170(7) 0.8476(5) 0.2533(6) 0.211(6) Uani 1 1 d . . . F4 F 0.6447(7) 0.7562(8) 0.3049(5) 0.240(7) Uani 1 1 d . . . F5 F 0.7634(5) 0.7291(5) 0.2500(5) 0.169(4) Uani 1 1 d . . . F6 F 0.6376(6) 0.6906(4) 0.2037(4) 0.145(3) Uani 1 1 d . . . O1 O 1.0951(16) 1.0802(13) 0.0032(13) 0.377(17) Uani 1 1 d . . . O2 O 0.8905(15) 0.8679(10) 0.0720(13) 0.298(12) Uani 1 1 d . . . O3 O 0.8951(16) 0.8333(14) 0.1562(19) 0.427(19) Uani 1 1 d . . . N1 N 0.9708(7) 0.6612(6) 0.1853(5) 0.113(4) Uani 1 1 d . . . C1 C 1.0102(4) 0.5034(4) 0.0905(4) 0.047(2) Uani 1 1 d . . . C2 C 1.0129(5) 0.5062(4) 0.1458(4) 0.055(2) Uani 1 1 d . . . C3 C 1.0094(5) 0.4999(5) 0.2110(4) 0.059(2) Uani 1 1 d . . . C4 C 1.0622(8) 0.5308(7) 0.2474(5) 0.107(5) Uani 1 1 d . . . H4A H 1.1010 0.5540 0.2303 0.129 Uiso 1 1 calc R . . C5 C 1.0544(10) 0.5255(11) 0.3118(7) 0.150(7) Uani 1 1 d . . . H5A H 1.0897 0.5446 0.3367 0.180 Uiso 1 1 calc R . . C6 C 0.9971(11) 0.4935(10) 0.3374(6) 0.140(7) Uani 1 1 d . . . H6A H 0.9923 0.4912 0.3793 0.168 Uiso 1 1 calc R . . C7 C 0.9466(9) 0.4646(9) 0.3003(7) 0.129(6) Uani 1 1 d . . . H7A H 0.9076 0.4417 0.3174 0.155 Uiso 1 1 calc R . . C8 C 0.9519(7) 0.4687(6) 0.2386(5) 0.091(4) Uani 1 1 d . . . H8A H 0.9155 0.4497 0.2147 0.109 Uiso 1 1 calc R . . C11 C 0.9567(9) 0.6686(7) 0.2351(5) 0.110(5) Uani 1 1 d D . . C12 C 0.9370(11) 0.6797(10) 0.2980(5) 0.173(8) Uani 1 1 d D . . H12A H 0.9095 0.6431 0.3130 0.208 Uiso 1 1 calc R . . H12B H 0.9075 0.7185 0.3010 0.208 Uiso 1 1 calc R . . H12C H 0.9809 0.6850 0.3218 0.208 Uiso 1 1 calc R . . C30 C 0.8970(5) 0.3722(4) 0.0452(4) 0.053(2) Uani 1 1 d . . . H30A H 0.8499 0.3500 0.0451 0.064 Uiso 1 1 calc R . . H30B H 0.9146 0.3736 0.0868 0.064 Uiso 1 1 calc R . . C101 C 0.8322(4) 0.4991(5) 0.0757(4) 0.049(2) Uani 1 1 d . . . C102 C 0.7933(6) 0.4648(5) 0.1207(5) 0.069(3) Uani 1 1 d . . . H10A H 0.7915 0.4195 0.1203 0.083 Uiso 1 1 calc R . . C103 C 0.7576(8) 0.5002(7) 0.1657(6) 0.100(4) Uani 1 1 d . . . H10B H 0.7321 0.4782 0.1960 0.120 Uiso 1 1 calc R . . C104 C 0.7596(7) 0.5665(7) 0.1662(5) 0.092(4) Uani 1 1 d . . . H10C H 0.7359 0.5893 0.1970 0.111 Uiso 1 1 calc R . . C105 C 0.7965(6) 0.6002(6) 0.1212(6) 0.080(3) Uani 1 1 d . . . H10D H 0.7970 0.6455 0.1216 0.096 Uiso 1 1 calc R . . C106 C 0.8327(6) 0.5667(5) 0.0758(5) 0.065(3) Uani 1 1 d . . . H10E H 0.8572 0.5895 0.0454 0.078 Uiso 1 1 calc R . . C111 C 0.8243(4) 0.4503(4) -0.0491(4) 0.047(2) Uani 1 1 d . . . C112 C 0.7998(6) 0.3916(5) -0.0738(5) 0.071(3) Uani 1 1 d . . . H11A H 0.8115 0.3524 -0.0549 0.085 Uiso 1 1 calc R . . C113 C 0.7581(7) 0.3912(7) -0.1262(5) 0.090(4) Uani 1 1 d . . . H11B H 0.7436 0.3518 -0.1434 0.108 Uiso 1 1 calc R . . C114 C 0.7382(7) 0.4487(8) -0.1528(5) 0.093(4) Uani 1 1 d . . . H11C H 0.7073 0.4485 -0.1864 0.111 Uiso 1 1 calc R . . C115 C 0.7636(6) 0.5069(6) -0.1301(5) 0.080(3) Uani 1 1 d . . . H11D H 0.7521 0.5457 -0.1498 0.096 Uiso 1 1 calc R . . C116 C 0.8058(5) 0.5081(5) -0.0783(4) 0.062(3) Uani 1 1 d . . . H11E H 0.8220 0.5478 -0.0628 0.075 Uiso 1 1 calc R . . C201 C 0.9530(6) 0.6831(5) -0.0436(5) 0.063(3) Uani 1 1 d . . . C202 C 0.9437(7) 0.6623(6) -0.1030(6) 0.085(4) Uani 1 1 d . . . H20A H 0.9824 0.6430 -0.1239 0.101 Uiso 1 1 calc R . . C203 C 0.8745(9) 0.6708(8) -0.1311(7) 0.107(5) Uani 1 1 d . . . H20B H 0.8677 0.6568 -0.1709 0.128 Uiso 1 1 calc R . . C204 C 0.8193(10) 0.6985(8) -0.1017(10) 0.123(6) Uani 1 1 d . . . H20C H 0.7751 0.7051 -0.1220 0.147 Uiso 1 1 calc R . . C205 C 0.8247(9) 0.7171(8) -0.0446(9) 0.121(5) Uani 1 1 d . . . H20D H 0.7840 0.7336 -0.0242 0.146 Uiso 1 1 calc R . . C206 C 0.8932(6) 0.7115(7) -0.0148(7) 0.102(4) Uani 1 1 d . . . H20E H 0.8983 0.7272 0.0246 0.123 Uiso 1 1 calc R . . C211 C 1.0766(5) 0.7563(5) 0.0041(4) 0.052(2) Uani 1 1 d . . . C212 C 1.0925(6) 0.7849(5) 0.0579(5) 0.069(3) Uani 1 1 d . . . H21A H 1.0815 0.7631 0.0937 0.083 Uiso 1 1 calc R . . C213 C 1.1246(7) 0.8456(7) 0.0605(7) 0.094(4) Uani 1 1 d . . . H21B H 1.1351 0.8646 0.0979 0.113 Uiso 1 1 calc R . . C214 C 1.1409(7) 0.8776(6) 0.0084(7) 0.094(4) Uani 1 1 d . . . H21C H 1.1630 0.9184 0.0103 0.112 Uiso 1 1 calc R . . C215 C 1.1249(7) 0.8502(6) -0.0479(6) 0.086(4) Uani 1 1 d . . . H21D H 1.1357 0.8726 -0.0835 0.104 Uiso 1 1 calc R . . C216 C 1.0927(6) 0.7893(5) -0.0499(5) 0.070(3) Uani 1 1 d . . . H21E H 1.0818 0.7701 -0.0870 0.084 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Pt1 0.0385(2) 0.0470(3) 0.0398(2) 0.0018(2) 0.0004(2) -0.0016(2) Ag1 0.0823(6) 0.0631(5) 0.0536(4) 0.0063(4) 0.0142(4) 0.0055(4) Sb1 0.1325(8) 0.0759(6) 0.0862(6) -0.0046(5) -0.0368(6) 0.0196(6) P1 0.0423(12) 0.0441(13) 0.0479(12) 0.0002(10) 0.0032(10) -0.0007(10) P2 0.0525(13) 0.0472(14) 0.0488(13) 0.0038(11) 0.0070(11) 0.0057(11) F1 0.292(16) 0.276(15) 0.124(8) 0.061(9) -0.022(9) -0.090(13) F2 0.293(16) 0.176(11) 0.334(18) -0.092(11) -0.204(15) 0.133(11) F3 0.227(12) 0.114(7) 0.292(15) -0.019(9) -0.107(11) -0.008(8) F4 0.228(13) 0.38(2) 0.109(8) -0.072(10) 0.032(8) -0.030(13) F5 0.123(7) 0.176(9) 0.207(10) 0.002(8) -0.034(7) 0.029(7) F6 0.190(9) 0.094(6) 0.151(8) -0.020(5) -0.005(7) -0.003(6) O1 0.41(4) 0.31(3) 0.42(4) 0.01(3) -0.21(3) 0.10(3) O2 0.40(3) 0.168(17) 0.32(3) -0.045(17) -0.03(3) 0.085(19) O3 0.34(3) 0.33(3) 0.61(5) -0.03(4) 0.15(4) -0.11(3) N1 0.141(10) 0.120(9) 0.077(7) -0.021(7) 0.031(7) -0.003(8) C1 0.045(5) 0.050(5) 0.047(5) 0.007(4) 0.002(4) -0.003(4) C2 0.049(6) 0.057(6) 0.057(6) 0.007(5) 0.001(4) -0.006(5) C3 0.060(6) 0.070(6) 0.048(5) 0.005(5) -0.001(4) -0.002(6) C4 0.108(10) 0.160(13) 0.053(7) -0.007(8) -0.010(7) -0.028(10) C5 0.138(15) 0.24(2) 0.068(10) -0.031(12) -0.026(10) -0.008(15) C6 0.140(15) 0.23(2) 0.053(7) 0.018(11) 0.006(10) 0.022(15) C7 0.117(12) 0.194(18) 0.076(10) 0.040(11) 0.019(9) -0.037(12) C8 0.096(9) 0.106(10) 0.070(8) 0.018(7) 0.000(7) -0.029(8) C11 0.136(13) 0.111(11) 0.083(10) -0.017(8) 0.027(9) 0.002(10) C12 0.21(2) 0.22(2) 0.087(11) -0.038(12) 0.059(12) 0.020(17) C30 0.045(5) 0.060(6) 0.054(5) 0.007(5) 0.008(4) 0.002(4) C101 0.039(5) 0.057(6) 0.051(5) -0.006(4) -0.002(4) 0.002(5) C102 0.072(7) 0.059(7) 0.077(7) 0.000(5) 0.028(6) 0.002(6) C103 0.118(11) 0.095(11) 0.085(8) -0.001(8) 0.043(8) 0.027(9) C104 0.097(10) 0.110(12) 0.069(8) -0.016(8) 0.014(7) 0.034(8) C105 0.080(8) 0.064(7) 0.096(9) -0.025(7) 0.003(7) 0.021(6) C106 0.068(7) 0.047(6) 0.081(7) -0.003(5) 0.013(6) 0.005(5) C111 0.034(5) 0.054(6) 0.053(5) -0.008(4) 0.001(4) -0.004(4) C112 0.074(7) 0.050(6) 0.090(8) -0.014(6) -0.020(6) 0.008(5) C113 0.085(9) 0.095(10) 0.090(9) -0.025(7) -0.031(7) -0.010(8) C114 0.080(9) 0.130(12) 0.069(8) -0.004(8) -0.024(6) 0.016(9) C115 0.083(8) 0.084(9) 0.073(7) 0.008(7) -0.016(6) -0.004(7) C116 0.056(6) 0.062(7) 0.069(6) 0.000(5) -0.012(5) -0.009(5) C201 0.056(6) 0.056(6) 0.077(7) 0.011(5) -0.010(5) -0.012(5) C202 0.079(8) 0.074(8) 0.101(9) 0.016(7) -0.027(7) -0.006(6) C203 0.110(12) 0.108(12) 0.103(11) 0.019(9) -0.044(10) -0.023(10) C204 0.101(13) 0.100(12) 0.167(18) 0.052(12) -0.039(13) -0.023(10) C205 0.085(11) 0.148(15) 0.130(14) 0.023(12) 0.000(10) 0.025(10) C206 0.052(7) 0.116(11) 0.139(12) 0.013(9) -0.003(8) 0.021(7) C211 0.050(5) 0.053(5) 0.052(5) -0.001(5) 0.004(4) 0.013(4) C212 0.078(8) 0.066(7) 0.063(7) -0.008(5) -0.002(5) -0.001(6) C213 0.104(10) 0.081(10) 0.097(10) -0.022(8) 0.000(8) -0.005(8) C214 0.089(9) 0.055(7) 0.137(13) -0.021(8) -0.004(9) -0.011(6) C215 0.097(9) 0.073(8) 0.089(9) 0.015(7) 0.011(7) -0.013(7) C216 0.087(8) 0.055(7) 0.067(7) 0.000(5) -0.002(6) -0.006(6) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Pt1 C1 2.004(8) . ? Pt1 C1 2.004(8) 5_765 ? Pt1 P1 2.317(2) . ? Pt1 P1 2.317(2) 5_765 ? Pt1 Ag1 3.2956(8) 5_765 ? Pt1 Ag1 3.2956(8) . ? Ag1 N1 2.213(10) . ? Ag1 P2 2.423(2) . ? Ag1 C1 2.427(9) . ? Ag1 C2 2.592(9) . ? Sb1 F4 1.758(11) . ? Sb1 F2 1.809(10) . ? Sb1 F3 1.841(10) . ? Sb1 F5 1.844(9) . ? Sb1 F6 1.853(8) . ? Sb1 F1 1.887(11) . ? P1 C30 1.823(9) . ? P1 C111 1.833(9) . ? P1 C101 1.835(9) . ? P2 C201 1.829(10) . ? P2 C211 1.831(10) . ? P2 C30 1.854(9) 5_765 ? N1 C11 1.136(13) . ? C1 C2 1.221(12) . ? C2 C3 1.445(12) . ? C3 C8 1.367(14) . ? C3 C4 1.402(15) . ? C4 C5 1.429(18) . ? C5 C6 1.35(2) . ? C6 C7 1.36(2) . ? C7 C8 1.367(17) . ? C11 C12 1.452(5) . ? C30 P2 1.854(9) 5_765 ? C101 C106 1.387(12) . ? C101 C102 1.406(12) . ? C102 C103 1.389(14) . ? C103 C104 1.359(16) . ? C104 C105 1.382(16) . ? C105 C106 1.379(13) . ? C111 C116 1.391(12) . ? C111 C112 1.394(12) . ? C112 C113 1.381(14) . ? C113 C114 1.364(16) . ? C114 C115 1.374(16) . ? C115 C116 1.374(13) . ? C201 C206 1.386(15) . ? C201 C202 1.387(15) . ? C202 C203 1.413(17) . ? C203 C204 1.32(2) . ? C204 C205 1.32(2) . ? C205 C206 1.411(18) . ? C211 C212 1.353(13) . ? C211 C216 1.399(13) . ? C212 C213 1.374(15) . ? C213 C214 1.355(17) . ? C214 C215 1.392(16) . ? C215 C216 1.379(14) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C1 Pt1 C1 180.0 . 5_765 ? C1 Pt1 P1 86.1(2) . . ? C1 Pt1 P1 93.9(2) 5_765 . ? C1 Pt1 P1 93.9(2) . 5_765 ? C1 Pt1 P1 86.1(2) 5_765 5_765 ? P1 Pt1 P1 180.00(11) . 5_765 ? C1 Pt1 Ag1 132.9(2) . 5_765 ? C1 Pt1 Ag1 47.1(2) 5_765 5_765 ? P1 Pt1 Ag1 76.20(6) . 5_765 ? P1 Pt1 Ag1 103.80(6) 5_765 5_765 ? C1 Pt1 Ag1 47.1(2) . . ? C1 Pt1 Ag1 132.9(2) 5_765 . ? P1 Pt1 Ag1 103.80(6) . . ? P1 Pt1 Ag1 76.20(6) 5_765 . ? Ag1 Pt1 Ag1 180.00(3) 5_765 . ? N1 Ag1 P2 131.4(3) . . ? N1 Ag1 C1 115.1(4) . . ? P2 Ag1 C1 112.9(2) . . ? N1 Ag1 C2 89.1(4) . . ? P2 Ag1 C2 139.5(2) . . ? C1 Ag1 C2 27.9(3) . . ? N1 Ag1 Pt1 146.3(3) . . ? P2 Ag1 Pt1 77.30(6) . . ? C1 Ag1 Pt1 37.25(19) . . ? C2 Ag1 Pt1 65.1(2) . . ? F4 Sb1 F2 99.1(8) . . ? F4 Sb1 F3 90.4(7) . . ? F2 Sb1 F3 91.1(6) . . ? F4 Sb1 F5 89.4(6) . . ? F2 Sb1 F5 171.5(7) . . ? F3 Sb1 F5 88.5(5) . . ? F4 Sb1 F6 92.4(6) . . ? F2 Sb1 F6 89.4(5) . . ? F3 Sb1 F6 177.0(6) . . ? F5 Sb1 F6 90.5(5) . . ? F4 Sb1 F1 176.1(7) . . ? F2 Sb1 F1 84.9(7) . . ? F3 Sb1 F1 89.4(6) . . ? F5 Sb1 F1 86.7(6) . . ? F6 Sb1 F1 87.7(5) . . ? C30 P1 C111 106.9(4) . . ? C30 P1 C101 106.6(4) . . ? C111 P1 C101 106.0(4) . . ? C30 P1 Pt1 108.3(3) . . ? C111 P1 Pt1 115.5(3) . . ? C101 P1 Pt1 113.1(3) . . ? C201 P2 C211 104.7(4) . . ? C201 P2 C30 106.5(5) . 5_765 ? C211 P2 C30 103.4(4) . 5_765 ? C201 P2 Ag1 110.6(3) . . ? C211 P2 Ag1 117.8(3) . . ? C30 P2 Ag1 112.9(3) 5_765 . ? C11 N1 Ag1 164.6(13) . . ? C2 C1 Pt1 176.9(8) . . ? C2 C1 Ag1 83.6(6) . . ? Pt1 C1 Ag1 95.6(3) . . ? C1 C2 C3 170.8(10) . . ? C1 C2 Ag1 68.5(6) . . ? C3 C2 Ag1 119.3(7) . . ? C8 C3 C4 118.7(10) . . ? C8 C3 C2 121.1(9) . . ? C4 C3 C2 119.9(9) . . ? C3 C4 C5 117.7(13) . . ? C6 C5 C4 121.8(15) . . ? C5 C6 C7 118.6(13) . . ? C6 C7 C8 121.5(14) . . ? C7 C8 C3 121.6(12) . . ? N1 C11 C12 178.1(19) . . ? P1 C30 P2 111.9(4) . 5_765 ? C106 C101 C102 120.0(9) . . ? C106 C101 P1 119.2(7) . . ? C102 C101 P1 120.7(7) . . ? C103 C102 C101 118.6(10) . . ? C104 C103 C102 120.9(12) . . ? C103 C104 C105 120.5(11) . . ? C106 C105 C104 120.2(11) . . ? C105 C106 C101 119.7(10) . . ? C116 C111 C112 118.4(8) . . ? C116 C111 P1 117.9(7) . . ? C112 C111 P1 123.5(7) . . ? C113 C112 C111 120.5(10) . . ? C114 C113 C112 120.0(11) . . ? C113 C114 C115 120.3(11) . . ? C114 C115 C116 120.4(11) . . ? C115 C116 C111 120.3(10) . . ? C206 C201 C202 117.7(11) . . ? C206 C201 P2 116.3(9) . . ? C202 C201 P2 126.0(9) . . ? C201 C202 C203 119.1(13) . . ? C204 C203 C202 120.8(16) . . ? C205 C204 C203 122.4(17) . . ? C204 C205 C206 119.1(17) . . ? C201 C206 C205 120.8(14) . . ? C212 C211 C216 119.3(10) . . ? C212 C211 P2 120.5(8) . . ? C216 C211 P2 120.2(8) . . ? C211 C212 C213 121.4(11) . . ? C214 C213 C212 119.6(12) . . ? C213 C214 C215 121.0(12) . . ? C216 C215 C214 118.8(11) . . ? C215 C216 C211 119.9(10) . . ? _diffrn_measured_fraction_theta_max 0.972 _diffrn_reflns_theta_full 24.99 _diffrn_measured_fraction_theta_full 0.972 _refine_diff_density_max 0.786 _refine_diff_density_min -0.875 _refine_diff_density_rms 0.111 #====END