data_ipds2361 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C62 H55 P4 Pt2 S, Cl' _chemical_formula_sum 'C62 H55 Cl P4 Pt2 S' _chemical_formula_weight 1381.63 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' 'P' 'P' 0.1023 0.0942 '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' 'S' 'S' 0.1246 0.1234 '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 'P 21/n' _symmetry_space_group_name_Hall '-P 2yn' 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 11.2934(14) _cell_length_b 29.191(5) _cell_length_c 16.471(2) _cell_angle_alpha 90.00 _cell_angle_beta 91.440(16) _cell_angle_gamma 90.00 _cell_volume 5428.1(13) _cell_formula_units_Z 4 _cell_measurement_temperature 223(2) _cell_measurement_reflns_used 8000 _cell_measurement_theta_min 2.2 _cell_measurement_theta_max 25.0 _exptl_crystal_description block _exptl_crystal_colour yellow _exptl_crystal_size_max 0.28 _exptl_crystal_size_mid 0.23 _exptl_crystal_size_min 0.20 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.691 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2704 _exptl_absorpt_coefficient_mu 5.394 _exptl_absorpt_correction_type numerical _exptl_absorpt_correction_T_min 0.3345 _exptl_absorpt_correction_T_max 0.4435 _exptl_absorpt_process_details 'X-red (Stoe, 2004)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 223(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 'STOE IPDS' _diffrn_measurement_method 'rotation method' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 23191 _diffrn_standards_decay_% none _diffrn_reflns_av_R_equivalents 0.0908 _diffrn_reflns_av_sigmaI/netI 0.0687 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -28 _diffrn_reflns_limit_k_max 34 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_theta_min 2.16 _diffrn_reflns_theta_max 25.00 _reflns_number_total 9301 _reflns_number_gt 7344 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _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^)+(0.0727P)^2^+0.0000P] 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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 9301 _refine_ls_number_parameters 632 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0593 _refine_ls_R_factor_gt 0.0439 _refine_ls_wR_factor_ref 0.1223 _refine_ls_wR_factor_gt 0.1080 _refine_ls_goodness_of_fit_ref 1.036 _refine_ls_restrained_S_all 1.036 _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 C1 C -0.0332(8) 0.1050(3) 0.0389(4) 0.0318(18) Uani 1 1 d . . . C2 C -0.1081(9) 0.1357(3) 0.0012(5) 0.038(2) Uani 1 1 d . . . H2A H -0.1730 0.1472 0.0294 0.045 Uiso 1 1 calc R . . C3 C -0.0899(10) 0.1500(3) -0.0782(5) 0.046(2) Uani 1 1 d . . . H3A H -0.1420 0.1711 -0.1033 0.056 Uiso 1 1 calc R . . C4 C 0.0054(10) 0.1330(4) -0.1198(5) 0.048(3) Uani 1 1 d . . . H4A H 0.0189 0.1428 -0.1731 0.058 Uiso 1 1 calc R . . C5 C 0.0803(9) 0.1018(3) -0.0830(5) 0.046(2) Uani 1 1 d . . . H5A H 0.1442 0.0898 -0.1117 0.055 Uiso 1 1 calc R . . C6 C 0.0620(8) 0.0881(3) -0.0042(5) 0.0362(19) Uani 1 1 d . . . H6A H 0.1143 0.0670 0.0208 0.043 Uiso 1 1 calc R . . C7 C -0.1879(9) 0.0500(3) 0.1276(5) 0.035(2) Uani 1 1 d . . . C8 C -0.2026(8) 0.0235(3) 0.0572(5) 0.0356(19) Uani 1 1 d . . . H8A H -0.1437 0.0242 0.0178 0.043 Uiso 1 1 calc R . . C9 C -0.3005(9) -0.0035(3) 0.0442(5) 0.041(2) Uani 1 1 d . . . H9A H -0.3084 -0.0205 -0.0042 0.049 Uiso 1 1 calc R . . C10 C -0.3872(9) -0.0062(3) 0.1009(5) 0.045(2) Uani 1 1 d . . . H10A H -0.4521 -0.0260 0.0931 0.054 Uiso 1 1 calc R . . C11 C -0.3773(10) 0.0212(4) 0.1706(6) 0.053(3) Uani 1 1 d . . . H11A H -0.4372 0.0207 0.2092 0.063 Uiso 1 1 calc R . . C12 C -0.2778(8) 0.0493(3) 0.1824(5) 0.037(2) Uani 1 1 d . . . H12A H -0.2723 0.0680 0.2287 0.044 Uiso 1 1 calc R . . C13 C 0.0645(7) 0.0511(3) 0.1686(4) 0.0283(17) Uani 1 1 d . . . C14 C 0.0659(9) 0.0041(3) 0.1525(5) 0.041(2) Uani 1 1 d . . . H14A H -0.0024 -0.0104 0.1314 0.049 Uiso 1 1 calc R . . C15 C 0.1682(9) -0.0211(3) 0.1677(5) 0.042(2) Uani 1 1 d . . . H15A H 0.1688 -0.0527 0.1569 0.050 Uiso 1 1 calc R . . C16 C 0.2692(9) 0.0001(4) 0.1985(5) 0.049(3) Uani 1 1 d . . . H16A H 0.3389 -0.0170 0.2072 0.059 Uiso 1 1 calc R . . C17 C 0.2679(8) 0.0464(4) 0.2166(6) 0.048(2) Uani 1 1 d . . . H17A H 0.3359 0.0605 0.2391 0.058 Uiso 1 1 calc R . . C18 C 0.1675(8) 0.0717(3) 0.2017(5) 0.037(2) Uani 1 1 d . . . H18A H 0.1674 0.1032 0.2138 0.045 Uiso 1 1 calc R . . C19 C -0.0522(9) 0.1551(3) 0.4332(5) 0.0346(19) Uani 1 1 d . . . H19B H 0.0344 0.1533 0.4365 0.042 Uiso 1 1 calc R . . H19A H -0.0828 0.1450 0.4854 0.042 Uiso 1 1 calc R . . C20 C -0.0276(7) 0.0640(3) 0.3751(4) 0.0313(18) Uani 1 1 d . . . C21 C -0.0753(12) 0.0213(3) 0.3527(7) 0.064(3) Uani 1 1 d . . . H21A H -0.1523 0.0197 0.3297 0.076 Uiso 1 1 calc R . . C22 C -0.0120(14) -0.0178(4) 0.3637(7) 0.074(4) Uani 1 1 d . . . H22A H -0.0455 -0.0461 0.3484 0.089 Uiso 1 1 calc R . . C23 C 0.0996(14) -0.0165(4) 0.3967(6) 0.074(4) Uani 1 1 d . . . H23A H 0.1430 -0.0437 0.4039 0.088 Uiso 1 1 calc R . . C24 C 0.1471(10) 0.0234(5) 0.4187(7) 0.066(3) Uani 1 1 d . . . H24A H 0.2232 0.0241 0.4431 0.079 Uiso 1 1 calc R . . C25 C 0.0839(10) 0.0652(3) 0.4057(6) 0.054(3) Uani 1 1 d . . . H25A H 0.1200 0.0934 0.4184 0.065 Uiso 1 1 calc R . . C26 C -0.2619(8) 0.1047(3) 0.3788(4) 0.0340(19) Uani 1 1 d . . . C27 C -0.2902(11) 0.0759(4) 0.4416(6) 0.062(3) Uani 1 1 d . . . H27A H -0.2295 0.0615 0.4722 0.075 Uiso 1 1 calc R . . C28 C -0.4104(14) 0.0679(5) 0.4606(8) 0.080(4) Uani 1 1 d . . . H28A H -0.4296 0.0483 0.5036 0.096 Uiso 1 1 calc R . . C29 C -0.4990(13) 0.0893(5) 0.4149(9) 0.082(4) Uani 1 1 d . . . H29A H -0.5791 0.0841 0.4262 0.099 Uiso 1 1 calc R . . C30 C -0.4679(10) 0.1184(4) 0.3524(7) 0.059(3) Uani 1 1 d . . . H30A H -0.5277 0.1333 0.3217 0.071 Uiso 1 1 calc R . . C31 C -0.3517(8) 0.1257(3) 0.3347(5) 0.036(2) Uani 1 1 d . . . H31A H -0.3329 0.1455 0.2918 0.044 Uiso 1 1 calc R . . C32 C -0.2531(8) 0.2174(3) 0.4383(5) 0.0335(19) Uani 1 1 d . . . C33 C -0.3006(8) 0.1930(3) 0.5046(5) 0.040(2) Uani 1 1 d . . . H33A H -0.2496 0.1773 0.5410 0.049 Uiso 1 1 calc R . . C34 C -0.4193(9) 0.1921(4) 0.5155(6) 0.051(3) Uani 1 1 d . . . H34A H -0.4487 0.1760 0.5602 0.061 Uiso 1 1 calc R . . C35 C -0.4980(9) 0.2140(4) 0.4636(7) 0.055(3) Uani 1 1 d . . . H35A H -0.5800 0.2126 0.4716 0.066 Uiso 1 1 calc R . . C36 C -0.4522(10) 0.2381(4) 0.3990(7) 0.057(3) Uani 1 1 d . . . H36A H -0.5043 0.2533 0.3628 0.069 Uiso 1 1 calc R . . C37 C -0.3305(9) 0.2402(3) 0.3866(6) 0.043(2) Uani 1 1 d . . . H37A H -0.3014 0.2572 0.3429 0.052 Uiso 1 1 calc R . . C38 C -0.0126(8) 0.2434(3) 0.4961(5) 0.0320(19) Uani 1 1 d . . . C39 C -0.0649(9) 0.2631(3) 0.5649(5) 0.041(2) Uani 1 1 d . . . H39A H -0.1475 0.2628 0.5708 0.049 Uiso 1 1 calc R . . C40 C 0.0089(10) 0.2827(4) 0.6231(5) 0.053(3) Uani 1 1 d . . . H40A H -0.0248 0.2956 0.6693 0.063 Uiso 1 1 calc R . . C41 C 0.1283(11) 0.2839(3) 0.6162(6) 0.053(3) Uani 1 1 d . . . H41A H 0.1757 0.2976 0.6572 0.063 Uiso 1 1 calc R . . C42 C 0.1817(10) 0.2646(3) 0.5469(6) 0.047(2) Uani 1 1 d . . . H42A H 0.2644 0.2650 0.5415 0.056 Uiso 1 1 calc R . . C43 C 0.1091(8) 0.2452(3) 0.4875(5) 0.0356(19) Uani 1 1 d . . . H43A H 0.1428 0.2330 0.4406 0.043 Uiso 1 1 calc R . . C44 C -0.0266(9) 0.3422(3) 0.3864(5) 0.038(2) Uani 1 1 d . . . C45 C -0.1348(10) 0.3445(3) 0.4278(6) 0.045(2) Uani 1 1 d . . . H45A H -0.2021 0.3296 0.4058 0.054 Uiso 1 1 calc R . . C46 C -0.1433(10) 0.3683(3) 0.4999(6) 0.051(3) Uani 1 1 d . . . H46A H -0.2160 0.3696 0.5265 0.061 Uiso 1 1 calc R . . C47 C -0.0441(9) 0.3905(3) 0.5334(6) 0.048(2) Uani 1 1 d . . . H47A H -0.0491 0.4064 0.5827 0.057 Uiso 1 1 calc R . . C48 C 0.0616(9) 0.3886(3) 0.4929(6) 0.048(2) Uani 1 1 d . . . H48A H 0.1284 0.4039 0.5148 0.057 Uiso 1 1 calc R . . C49 C 0.0709(9) 0.3644(3) 0.4200(5) 0.045(2) Uani 1 1 d . . . H49A H 0.1439 0.3632 0.3938 0.054 Uiso 1 1 calc R . . C50 C 0.1244(10) 0.3233(3) 0.2534(5) 0.045(2) Uani 1 1 d . . . C51 C 0.2109(10) 0.2903(4) 0.2595(5) 0.055(3) Uani 1 1 d . . . H51A H 0.1932 0.2618 0.2829 0.066 Uiso 1 1 calc R . . C52 C 0.3227(11) 0.2983(6) 0.2321(7) 0.085(5) Uani 1 1 d . . . H52A H 0.3794 0.2749 0.2369 0.102 Uiso 1 1 calc R . . C53 C 0.3556(19) 0.3397(12) 0.1977(10) 0.150(14) Uani 1 1 d . . . H53A H 0.4323 0.3453 0.1790 0.180 Uiso 1 1 calc R . . C54 C 0.271(2) 0.3706(9) 0.1934(10) 0.133(11) Uani 1 1 d . . . H54A H 0.2900 0.3988 0.1695 0.160 Uiso 1 1 calc R . . C55 C 0.1552(15) 0.3658(5) 0.2207(7) 0.087(5) Uani 1 1 d . . . H55A H 0.1006 0.3900 0.2172 0.105 Uiso 1 1 calc R . . C56 C -0.1190(10) 0.3457(3) 0.2262(6) 0.049(3) Uani 1 1 d . . . C57 C -0.1392(16) 0.3920(4) 0.2415(8) 0.096(5) Uani 1 1 d . . . H57A H -0.1074 0.4056 0.2890 0.115 Uiso 1 1 calc R . . C58 C -0.2067(18) 0.4183(5) 0.1866(9) 0.126(8) Uani 1 1 d . . . H58A H -0.2260 0.4487 0.1993 0.151 Uiso 1 1 calc R . . C59 C -0.2451(17) 0.3993(5) 0.1133(9) 0.116(7) Uani 1 1 d . . . H59A H -0.2827 0.4180 0.0739 0.139 Uiso 1 1 calc R . . C60 C -0.2287(16) 0.3542(4) 0.0981(8) 0.096(6) Uani 1 1 d . . . H60A H -0.2594 0.3414 0.0496 0.115 Uiso 1 1 calc R . . C61 C -0.1667(11) 0.3265(4) 0.1540(6) 0.059(3) Uani 1 1 d . . . H61A H -0.1568 0.2952 0.1433 0.071 Uiso 1 1 calc R . . C62 C 0.1161(7) 0.2062(3) 0.1277(5) 0.0342(19) Uani 1 1 d . . . H62A H 0.1234 0.1892 0.0774 0.041 Uiso 1 1 calc R . . H62B H 0.1579 0.1902 0.1712 0.041 Uiso 1 1 calc R . . H62C H 0.1501 0.2365 0.1214 0.041 Uiso 1 1 calc R . . P1 P -0.06207(18) 0.08791(7) 0.14414(11) 0.0251(4) Uani 1 1 d . . . P2 P -0.10748(19) 0.11712(7) 0.35314(11) 0.0277(4) Uani 1 1 d . . . P3 P -0.09701(19) 0.21484(7) 0.41438(11) 0.0283(4) Uani 1 1 d . . . P4 P -0.0227(2) 0.31063(7) 0.29087(12) 0.0332(5) Uani 1 1 d . . . S1 S -0.03804(18) 0.21145(7) 0.15168(11) 0.0274(4) Uani 1 1 d . . . Cl1 Cl 0.2379(2) 0.17010(8) 0.33538(14) 0.0474(6) Uani 1 1 d . . . Pt1 Pt -0.07843(3) 0.148975(9) 0.231172(15) 0.02327(10) Uani 1 1 d . . . Pt2 Pt -0.05829(3) 0.233476(10) 0.285636(16) 0.02573(11) Uani 1 1 d . . . 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 C1 0.041(5) 0.031(4) 0.024(4) -0.002(3) -0.002(3) -0.002(4) C2 0.048(6) 0.036(5) 0.029(4) 0.007(4) 0.002(4) -0.002(4) C3 0.065(7) 0.039(5) 0.034(5) 0.010(4) -0.011(4) -0.003(5) C4 0.065(7) 0.060(6) 0.021(4) 0.014(4) -0.003(4) -0.009(5) C5 0.058(7) 0.053(6) 0.027(4) -0.006(4) 0.009(4) -0.004(5) C6 0.037(5) 0.039(5) 0.033(4) -0.002(4) 0.004(4) -0.002(4) C7 0.057(6) 0.020(4) 0.028(4) 0.001(3) -0.001(4) 0.001(4) C8 0.035(5) 0.041(5) 0.030(4) -0.010(4) -0.003(3) -0.010(4) C9 0.055(6) 0.032(5) 0.035(4) -0.009(4) -0.008(4) -0.004(4) C10 0.047(6) 0.039(5) 0.048(5) -0.003(4) -0.002(4) -0.015(4) C11 0.064(7) 0.050(6) 0.045(5) -0.002(5) 0.013(5) -0.015(5) C12 0.044(6) 0.038(5) 0.028(4) -0.002(3) 0.004(4) -0.002(4) C13 0.031(5) 0.027(4) 0.028(4) 0.002(3) 0.004(3) 0.004(3) C14 0.046(6) 0.034(5) 0.043(5) 0.000(4) 0.003(4) 0.005(4) C15 0.044(6) 0.033(5) 0.048(5) 0.001(4) 0.003(4) 0.013(4) C16 0.040(6) 0.067(7) 0.041(5) 0.006(5) 0.005(4) 0.021(5) C17 0.020(5) 0.071(7) 0.054(5) -0.007(5) -0.008(4) 0.011(4) C18 0.044(6) 0.034(5) 0.034(4) -0.004(4) -0.001(4) -0.009(4) C19 0.045(6) 0.030(4) 0.029(4) -0.002(3) -0.004(4) 0.005(4) C20 0.029(5) 0.039(5) 0.025(4) 0.007(3) 0.001(3) 0.006(4) C21 0.092(10) 0.034(6) 0.064(7) 0.008(5) -0.022(6) 0.005(5) C22 0.127(13) 0.035(6) 0.059(7) 0.004(5) -0.023(7) 0.009(7) C23 0.134(13) 0.046(7) 0.041(6) -0.002(5) -0.009(7) 0.042(7) C24 0.043(7) 0.085(9) 0.070(7) -0.009(7) -0.014(5) 0.034(6) C25 0.066(8) 0.034(5) 0.063(6) -0.002(5) 0.001(5) 0.009(5) C26 0.043(6) 0.039(5) 0.020(3) 0.000(3) 0.003(3) -0.006(4) C27 0.070(8) 0.078(8) 0.040(5) 0.014(5) 0.007(5) -0.021(6) C28 0.093(11) 0.075(9) 0.074(8) 0.026(7) 0.029(7) -0.028(8) C29 0.068(10) 0.083(10) 0.097(10) -0.016(8) 0.033(8) -0.029(8) C30 0.051(7) 0.062(7) 0.065(6) -0.022(6) 0.014(5) -0.003(5) C31 0.039(6) 0.033(5) 0.037(4) -0.012(4) 0.007(4) -0.003(4) C32 0.040(5) 0.034(4) 0.026(4) -0.008(3) -0.003(3) 0.004(4) C33 0.034(6) 0.056(6) 0.031(4) -0.007(4) 0.000(3) 0.009(4) C34 0.047(7) 0.059(7) 0.047(5) -0.020(5) 0.017(5) -0.013(5) C35 0.026(6) 0.074(7) 0.066(6) -0.024(6) 0.013(5) 0.004(5) C36 0.055(8) 0.060(7) 0.057(6) -0.012(5) -0.006(5) 0.015(5) C37 0.038(6) 0.050(6) 0.042(5) -0.007(4) -0.002(4) 0.018(4) C38 0.041(6) 0.025(4) 0.030(4) 0.000(3) -0.008(3) 0.011(4) C39 0.042(6) 0.046(5) 0.034(4) -0.013(4) -0.001(4) 0.005(4) C40 0.053(7) 0.072(7) 0.033(5) -0.020(5) -0.012(4) 0.009(5) C41 0.077(9) 0.037(5) 0.043(5) -0.003(4) -0.027(5) 0.003(5) C42 0.046(6) 0.050(6) 0.044(5) 0.000(4) -0.015(4) 0.001(4) C43 0.035(6) 0.035(5) 0.037(4) -0.001(4) -0.012(4) 0.000(4) C44 0.053(6) 0.030(4) 0.031(4) -0.004(3) -0.007(4) 0.000(4) C45 0.058(7) 0.031(5) 0.045(5) -0.010(4) -0.007(4) -0.007(4) C46 0.058(7) 0.037(5) 0.058(6) -0.010(5) 0.018(5) 0.004(5) C47 0.052(7) 0.045(6) 0.045(5) -0.015(4) -0.008(4) 0.001(5) C48 0.041(6) 0.045(6) 0.057(6) -0.019(5) -0.014(4) 0.004(4) C49 0.049(6) 0.041(5) 0.045(5) -0.011(4) -0.011(4) 0.004(4) C50 0.059(7) 0.045(5) 0.030(4) -0.010(4) 0.001(4) -0.020(5) C51 0.051(7) 0.074(8) 0.039(5) -0.022(5) 0.006(4) -0.034(6) C52 0.037(7) 0.169(16) 0.049(6) -0.047(8) -0.006(5) -0.014(8) C53 0.105(16) 0.30(4) 0.043(7) -0.049(14) 0.024(10) -0.14(2) C54 0.18(2) 0.17(2) 0.053(8) -0.021(11) 0.041(14) -0.13(2) C55 0.146(14) 0.065(8) 0.051(6) -0.006(6) 0.018(7) -0.059(9) C56 0.056(7) 0.044(6) 0.047(5) -0.014(4) -0.018(4) 0.018(5) C57 0.171(16) 0.036(6) 0.078(8) -0.009(6) -0.062(9) 0.023(8) C58 0.21(2) 0.047(7) 0.112(11) -0.030(8) -0.097(13) 0.064(10) C59 0.196(19) 0.061(8) 0.086(9) -0.014(7) -0.071(11) 0.072(10) C60 0.166(16) 0.057(8) 0.061(7) -0.024(6) -0.055(9) 0.041(9) C61 0.086(9) 0.039(6) 0.052(6) -0.007(5) -0.031(5) 0.011(5) C62 0.017(5) 0.045(5) 0.041(4) 0.000(4) 0.005(3) -0.009(4) P1 0.0289(12) 0.0244(10) 0.0221(8) -0.0025(7) 0.0015(7) -0.0008(8) P2 0.0352(13) 0.0264(10) 0.0213(9) 0.0005(8) -0.0009(8) 0.0016(9) P3 0.0325(13) 0.0316(11) 0.0204(9) -0.0047(8) -0.0031(8) 0.0021(9) P4 0.0445(14) 0.0231(10) 0.0316(10) -0.0044(8) -0.0067(9) 0.0008(9) S1 0.0319(12) 0.0270(10) 0.0232(8) 0.0009(7) 0.0007(7) -0.0007(8) Cl1 0.0398(14) 0.0478(13) 0.0543(13) -0.0137(11) -0.0047(10) 0.0073(10) Pt1 0.02875(19) 0.02131(16) 0.01971(15) -0.00124(10) -0.00019(11) -0.00022(11) Pt2 0.0306(2) 0.02255(16) 0.02390(16) -0.00363(11) -0.00218(12) 0.00111(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 C1 C2 1.369(12) . ? C1 C6 1.393(12) . ? C1 P1 1.841(7) . ? C2 C3 1.393(12) . ? C2 H2A 0.9400 . ? C3 C4 1.382(15) . ? C3 H3A 0.9400 . ? C4 C5 1.372(14) . ? C4 H4A 0.9400 . ? C5 C6 1.381(11) . ? C5 H5A 0.9400 . ? C6 H6A 0.9400 . ? C7 C12 1.375(12) . ? C7 C8 1.402(11) . ? C7 P1 1.816(9) . ? C8 C9 1.370(12) . ? C8 H8A 0.9400 . ? C9 C10 1.372(13) . ? C9 H9A 0.9400 . ? C10 C11 1.399(13) . ? C10 H10A 0.9400 . ? C11 C12 1.402(13) . ? C11 H11A 0.9400 . ? C12 H12A 0.9400 . ? C13 C14 1.397(12) . ? C13 C18 1.407(12) . ? C13 P1 1.825(8) . ? C14 C15 1.386(13) . ? C14 H14A 0.9400 . ? C15 C16 1.383(14) . ? C15 H15A 0.9400 . ? C16 C17 1.384(15) . ? C16 H16A 0.9400 . ? C17 C18 1.369(13) . ? C17 H17A 0.9400 . ? C18 H18A 0.9400 . ? C19 P2 1.821(8) . ? C19 P3 1.840(8) . ? C19 H19B 0.9800 . ? C19 H19A 0.9800 . ? C20 C25 1.345(14) . ? C20 C21 1.405(14) . ? C20 P2 1.826(8) . ? C21 C22 1.357(16) . ? C21 H21A 0.9400 . ? C22 C23 1.360(19) . ? C22 H22A 0.9400 . ? C23 C24 1.328(18) . ? C23 H23A 0.9400 . ? C24 C25 1.426(15) . ? C24 H24A 0.9400 . ? C25 H25A 0.9400 . ? C26 C27 1.376(12) . ? C26 C31 1.377(12) . ? C26 P2 1.841(9) . ? C27 C28 1.420(17) . ? C27 H27A 0.9400 . ? C28 C29 1.39(2) . ? C28 H28A 0.9400 . ? C29 C30 1.387(18) . ? C29 H29A 0.9400 . ? C30 C31 1.369(14) . ? C30 H30A 0.9400 . ? C31 H31A 0.9400 . ? C32 C37 1.376(12) . ? C32 C33 1.422(12) . ? C32 P3 1.817(9) . ? C33 C34 1.357(13) . ? C33 H33A 0.9400 . ? C34 C35 1.375(15) . ? C34 H34A 0.9400 . ? C35 C36 1.386(16) . ? C35 H35A 0.9400 . ? C36 C37 1.397(15) . ? C36 H36A 0.9400 . ? C37 H37A 0.9400 . ? C38 C43 1.386(13) . ? C38 C39 1.412(11) . ? C38 P3 1.831(8) . ? C39 C40 1.379(13) . ? C39 H39A 0.9400 . ? C40 C41 1.357(15) . ? C40 H40A 0.9400 . ? C41 C42 1.422(14) . ? C41 H41A 0.9400 . ? C42 C43 1.381(12) . ? C42 H42A 0.9400 . ? C43 H43A 0.9400 . ? C44 C49 1.382(13) . ? C44 C45 1.416(14) . ? C44 P4 1.824(8) . ? C45 C46 1.383(13) . ? C45 H45A 0.9400 . ? C46 C47 1.394(14) . ? C46 H46A 0.9400 . ? C47 C48 1.383(13) . ? C47 H47A 0.9400 . ? C48 C49 1.401(12) . ? C48 H48A 0.9400 . ? C49 H49A 0.9400 . ? C50 C51 1.373(16) . ? C50 C55 1.399(15) . ? C50 P4 1.825(10) . ? C51 C52 1.371(16) . ? C51 H51A 0.9400 . ? C52 C53 1.39(3) . ? C52 H52A 0.9400 . ? C53 C54 1.31(3) . ? C53 H53A 0.9400 . ? C54 C55 1.40(3) . ? C54 H54A 0.9400 . ? C55 H55A 0.9400 . ? C56 C57 1.395(15) . ? C56 C61 1.409(13) . ? C56 P4 1.818(10) . ? C57 C58 1.396(16) . ? C57 H57A 0.9400 . ? C58 C59 1.387(18) . ? C58 H58A 0.9400 . ? C59 C60 1.354(17) . ? C59 H59A 0.9400 . ? C60 C61 1.400(15) . ? C60 H60A 0.9400 . ? C61 H61A 0.9400 . ? C62 S1 1.802(8) . ? C62 H62A 0.9700 . ? C62 H62B 0.9700 . ? C62 H62C 0.9700 . ? P1 Pt1 2.2978(19) . ? P2 Pt1 2.2453(19) . ? P3 Pt2 2.2428(19) . ? P4 Pt2 2.289(2) . ? S1 Pt1 2.2974(19) . ? S1 Pt2 2.3150(18) . ? Pt1 Pt2 2.6326(5) . ? 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 C2 C1 C6 118.5(7) . . ? C2 C1 P1 118.8(6) . . ? C6 C1 P1 122.7(6) . . ? C1 C2 C3 121.1(9) . . ? C1 C2 H2A 119.4 . . ? C3 C2 H2A 119.4 . . ? C4 C3 C2 119.5(9) . . ? C4 C3 H3A 120.2 . . ? C2 C3 H3A 120.2 . . ? C5 C4 C3 119.9(8) . . ? C5 C4 H4A 120.1 . . ? C3 C4 H4A 120.1 . . ? C4 C5 C6 120.2(9) . . ? C4 C5 H5A 119.9 . . ? C6 C5 H5A 119.9 . . ? C5 C6 C1 120.7(9) . . ? C5 C6 H6A 119.6 . . ? C1 C6 H6A 119.6 . . ? C12 C7 C8 117.4(8) . . ? C12 C7 P1 120.0(6) . . ? C8 C7 P1 122.4(7) . . ? C9 C8 C7 121.7(8) . . ? C9 C8 H8A 119.2 . . ? C7 C8 H8A 119.2 . . ? C8 C9 C10 120.9(8) . . ? C8 C9 H9A 119.6 . . ? C10 C9 H9A 119.6 . . ? C9 C10 C11 118.9(9) . . ? C9 C10 H10A 120.6 . . ? C11 C10 H10A 120.6 . . ? C10 C11 C12 119.6(9) . . ? C10 C11 H11A 120.2 . . ? C12 C11 H11A 120.2 . . ? C7 C12 C11 121.4(8) . . ? C7 C12 H12A 119.3 . . ? C11 C12 H12A 119.3 . . ? C14 C13 C18 118.6(8) . . ? C14 C13 P1 123.3(7) . . ? C18 C13 P1 118.0(6) . . ? C15 C14 C13 120.0(9) . . ? C15 C14 H14A 120.0 . . ? C13 C14 H14A 120.0 . . ? C16 C15 C14 120.3(9) . . ? C16 C15 H15A 119.9 . . ? C14 C15 H15A 119.9 . . ? C15 C16 C17 120.2(9) . . ? C15 C16 H16A 119.9 . . ? C17 C16 H16A 119.9 . . ? C18 C17 C16 120.1(9) . . ? C18 C17 H17A 120.0 . . ? C16 C17 H17A 120.0 . . ? C17 C18 C13 120.8(8) . . ? C17 C18 H18A 119.6 . . ? C13 C18 H18A 119.6 . . ? P2 C19 P3 111.6(4) . . ? P2 C19 H19B 109.3 . . ? P3 C19 H19B 109.3 . . ? P2 C19 H19A 109.3 . . ? P3 C19 H19A 109.3 . . ? H19B C19 H19A 108.0 . . ? C25 C20 C21 118.1(9) . . ? C25 C20 P2 120.4(7) . . ? C21 C20 P2 121.2(7) . . ? C22 C21 C20 120.9(12) . . ? C22 C21 H21A 119.5 . . ? C20 C21 H21A 119.5 . . ? C21 C22 C23 120.6(12) . . ? C21 C22 H22A 119.7 . . ? C23 C22 H22A 119.7 . . ? C24 C23 C22 119.9(11) . . ? C24 C23 H23A 120.0 . . ? C22 C23 H23A 120.0 . . ? C23 C24 C25 120.7(11) . . ? C23 C24 H24A 119.6 . . ? C25 C24 H24A 119.6 . . ? C20 C25 C24 119.6(10) . . ? C20 C25 H25A 120.2 . . ? C24 C25 H25A 120.2 . . ? C27 C26 C31 119.1(9) . . ? C27 C26 P2 122.2(8) . . ? C31 C26 P2 118.7(6) . . ? C26 C27 C28 120.5(11) . . ? C26 C27 H27A 119.7 . . ? C28 C27 H27A 119.7 . . ? C29 C28 C27 119.1(11) . . ? C29 C28 H28A 120.4 . . ? C27 C28 H28A 120.4 . . ? C28 C29 C30 119.1(12) . . ? C28 C29 H29A 120.4 . . ? C30 C29 H29A 120.4 . . ? C31 C30 C29 121.1(12) . . ? C31 C30 H30A 119.5 . . ? C29 C30 H30A 119.5 . . ? C30 C31 C26 121.0(9) . . ? C30 C31 H31A 119.5 . . ? C26 C31 H31A 119.5 . . ? C37 C32 C33 118.1(9) . . ? C37 C32 P3 119.4(7) . . ? C33 C32 P3 122.2(7) . . ? C34 C33 C32 120.3(9) . . ? C34 C33 H33A 119.8 . . ? C32 C33 H33A 119.8 . . ? C33 C34 C35 122.2(10) . . ? C33 C34 H34A 118.9 . . ? C35 C34 H34A 118.9 . . ? C34 C35 C36 117.8(10) . . ? C34 C35 H35A 121.1 . . ? C36 C35 H35A 121.1 . . ? C35 C36 C37 121.5(10) . . ? C35 C36 H36A 119.2 . . ? C37 C36 H36A 119.2 . . ? C32 C37 C36 120.0(10) . . ? C32 C37 H37A 120.0 . . ? C36 C37 H37A 120.0 . . ? C43 C38 C39 120.2(8) . . ? C43 C38 P3 116.2(6) . . ? C39 C38 P3 123.6(7) . . ? C40 C39 C38 117.9(9) . . ? C40 C39 H39A 121.0 . . ? C38 C39 H39A 121.0 . . ? C41 C40 C39 122.6(9) . . ? C41 C40 H40A 118.7 . . ? C39 C40 H40A 118.7 . . ? C40 C41 C42 119.9(9) . . ? C40 C41 H41A 120.1 . . ? C42 C41 H41A 120.1 . . ? C43 C42 C41 118.4(10) . . ? C43 C42 H42A 120.8 . . ? C41 C42 H42A 120.8 . . ? C42 C43 C38 121.0(9) . . ? C42 C43 H43A 119.5 . . ? C38 C43 H43A 119.5 . . ? C49 C44 C45 118.2(8) . . ? C49 C44 P4 123.1(8) . . ? C45 C44 P4 118.7(7) . . ? C46 C45 C44 121.2(9) . . ? C46 C45 H45A 119.4 . . ? C44 C45 H45A 119.4 . . ? C45 C46 C47 120.0(9) . . ? C45 C46 H46A 120.0 . . ? C47 C46 H46A 120.0 . . ? C48 C47 C46 119.2(8) . . ? C48 C47 H47A 120.4 . . ? C46 C47 H47A 120.4 . . ? C47 C48 C49 121.1(9) . . ? C47 C48 H48A 119.4 . . ? C49 C48 H48A 119.4 . . ? C44 C49 C48 120.3(9) . . ? C44 C49 H49A 119.9 . . ? C48 C49 H49A 119.9 . . ? C51 C50 C55 117.8(11) . . ? C51 C50 P4 119.0(7) . . ? C55 C50 P4 123.2(11) . . ? C52 C51 C50 121.0(13) . . ? C52 C51 H51A 119.5 . . ? C50 C51 H51A 119.5 . . ? C51 C52 C53 122.8(18) . . ? C51 C52 H52A 118.6 . . ? C53 C52 H52A 118.6 . . ? C54 C53 C52 114.5(17) . . ? C54 C53 H53A 122.7 . . ? C52 C53 H53A 122.7 . . ? C53 C54 C55 127(2) . . ? C53 C54 H54A 116.6 . . ? C55 C54 H54A 116.6 . . ? C50 C55 C54 117.1(17) . . ? C50 C55 H55A 121.4 . . ? C54 C55 H55A 121.4 . . ? C57 C56 C61 118.4(10) . . ? C57 C56 P4 122.6(8) . . ? C61 C56 P4 118.8(7) . . ? C56 C57 C58 120.3(11) . . ? C56 C57 H57A 119.9 . . ? C58 C57 H57A 119.9 . . ? C59 C58 C57 119.9(11) . . ? C59 C58 H58A 120.0 . . ? C57 C58 H58A 120.0 . . ? C60 C59 C58 120.5(11) . . ? C60 C59 H59A 119.8 . . ? C58 C59 H59A 119.8 . . ? C59 C60 C61 120.6(11) . . ? C59 C60 H60A 119.7 . . ? C61 C60 H60A 119.7 . . ? C60 C61 C56 120.0(10) . . ? C60 C61 H61A 120.0 . . ? C56 C61 H61A 120.0 . . ? S1 C62 H62A 109.5 . . ? S1 C62 H62B 109.5 . . ? H62A C62 H62B 109.5 . . ? S1 C62 H62C 109.5 . . ? H62A C62 H62C 109.5 . . ? H62B C62 H62C 109.5 . . ? C7 P1 C13 106.3(4) . . ? C7 P1 C1 100.4(4) . . ? C13 P1 C1 102.2(4) . . ? C7 P1 Pt1 119.4(3) . . ? C13 P1 Pt1 113.2(3) . . ? C1 P1 Pt1 113.3(3) . . ? C19 P2 C20 102.4(4) . . ? C19 P2 C26 105.3(4) . . ? C20 P2 C26 104.6(4) . . ? C19 P2 Pt1 109.9(3) . . ? C20 P2 Pt1 116.5(2) . . ? C26 P2 Pt1 116.6(3) . . ? C32 P3 C38 108.2(4) . . ? C32 P3 C19 105.5(4) . . ? C38 P3 C19 99.9(4) . . ? C32 P3 Pt2 114.1(3) . . ? C38 P3 Pt2 118.3(3) . . ? C19 P3 Pt2 109.2(3) . . ? C56 P4 C44 101.2(4) . . ? C56 P4 C50 102.9(5) . . ? C44 P4 C50 103.4(4) . . ? C56 P4 Pt2 115.5(3) . . ? C44 P4 Pt2 121.4(3) . . ? C50 P4 Pt2 110.3(3) . . ? C62 S1 Pt1 105.4(3) . . ? C62 S1 Pt2 110.6(3) . . ? Pt1 S1 Pt2 69.61(5) . . ? P2 Pt1 S1 150.95(7) . . ? P2 Pt1 P1 104.64(7) . . ? S1 Pt1 P1 103.89(7) . . ? P2 Pt1 Pt2 95.54(5) . . ? S1 Pt1 Pt2 55.51(5) . . ? P1 Pt1 Pt2 158.73(5) . . ? P3 Pt2 P4 103.96(7) . . ? P3 Pt2 S1 149.32(7) . . ? P4 Pt2 S1 106.72(7) . . ? P3 Pt2 Pt1 94.46(5) . . ? P4 Pt2 Pt1 161.50(5) . . ? S1 Pt2 Pt1 54.88(5) . . ? _diffrn_measured_fraction_theta_max 0.973 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.973 _refine_diff_density_max 1.185 _refine_diff_density_min -2.792 _refine_diff_density_rms 0.199