# Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 1999 # CCDC Number: 186/1648 data_(I) _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C31 H25 Cl3 N6 O12 Pt2 S' _chemical_formula_sum 'C31 H25 Cl3 N6 O12 Pt2 S' _chemical_formula_weight 1202.16 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' 'Cl' 'Cl' 0.1484 0.1585 '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' 'S' 'S' 0.1246 0.1234 '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 'P 21/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 12.5380(10) _cell_length_b 21.802(2) _cell_length_c 13.9690(10) _cell_angle_alpha 90.00 _cell_angle_beta 106.380(10) _cell_angle_gamma 90.00 _cell_volume 3663.5(5) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 25 _cell_measurement_theta_min 10 _cell_measurement_theta_max 15 _exptl_crystal_description 'plate' _exptl_crystal_colour 'yellow' _exptl_crystal_size_max 0.26 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.05 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.180 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2288 _exptl_absorpt_coefficient_mu 7.976 _exptl_absorpt_correction_type 'psi-scan' _exptl_absorpt_correction_T_min 0.82 _exptl_absorpt_correction_T_max 1.0 _exptl_absorpt_process_details '(North, Phillips & Mathews, 1968)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Nonius, CAD4' _diffrn_measurement_method '\w/2\q' _diffrn_detector_area_resol_mean ? _diffrn_standards_number 3 _diffrn_standards_interval_count ? _diffrn_standards_interval_time 120 _diffrn_standards_decay_% 0 _diffrn_reflns_number 8473 _diffrn_reflns_av_R_equivalents 0.026 _diffrn_reflns_av_sigmaI/netI 0.0691 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 27 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_theta_min 2.14 _diffrn_reflns_theta_max 26.96 _reflns_number_total 7935 _reflns_number_gt 5090 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'CAD4, Nonius, 1994' _computing_cell_refinement 'CAD4, Nonius, 1994' _computing_data_reduction 'Maxus, Nonius, 1997' _computing_structure_solution 'DIRDIF (Beurskens et al., 1996)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'ORTEP II (Johnson, 1976)' _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^)+(0.044P)^2^+ 29.88P) P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary 'Patterson' _atom_sites_solution_secondary 'Fourier' _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment noref _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 7935 _refine_ls_number_parameters 496 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1131 _refine_ls_R_factor_gt 0.0509 _refine_ls_wR_factor_ref 0.1389 _refine_ls_wR_factor_gt 0.1047 _refine_ls_goodness_of_fit_ref 1.124 _refine_ls_restrained_S_all 1.124 _refine_ls_shift/su_max 0.014 _refine_ls_shift/su_mean 0.002 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 0.23315(3) 0.147078(17) 0.33119(3) 0.04010(9) Uani 1 1 d . . . Pt2 Pt 0.15007(4) 0.061536(18) 0.06432(3) 0.04797(11) Uani 1 1 d . . . S1 S 0.1107(2) 0.13017(12) 0.17590(17) 0.0452(6) Uani 1 1 d . . . N1 N 0.3816(6) 0.1585(3) 0.3014(6) 0.0416(19) Uani 1 1 d . . . N2 N 0.3288(7) 0.1604(3) 0.4657(5) 0.045(2) Uani 1 1 d . . . N3 N 0.1167(7) 0.1436(4) 0.4065(6) 0.046(2) Uani 1 1 d . . . N4 N 0.2905(7) 0.0183(4) 0.1446(7) 0.057(2) Uani 1 1 d . . . N5 N 0.1858(9) 0.0125(4) -0.0411(6) 0.067(3) Uani 1 1 d . . . N6 N 0.0157(9) 0.0842(4) -0.0494(6) 0.067(3) Uani 1 1 d . . . C1 C 0.1131(10) 0.2047(4) 0.1176(7) 0.057(3) Uani 1 1 d . . . H1A H 0.0644 0.2040 0.0508 0.068 Uiso 1 1 calc R . . H2A H 0.1874 0.2137 0.1157 0.068 Uiso 1 1 calc R . . H3A H 0.0887 0.2357 0.1555 0.068 Uiso 1 1 calc R . . C2 C 0.4024(9) 0.1600(4) 0.2130(8) 0.052(3) Uani 1 1 d . . . H2 H 0.3436 0.1541 0.1559 0.063 Uiso 1 1 calc R . . C3 C 0.5066(10) 0.1699(6) 0.2022(10) 0.072(3) Uani 1 1 d . . . H3 H 0.5188 0.1699 0.1396 0.086 Uiso 1 1 calc R . . C4 C 0.5918(10) 0.1799(6) 0.2868(10) 0.075(4) Uani 1 1 d . . . H4 H 0.6631 0.1870 0.2817 0.089 Uiso 1 1 calc R . . C5 C 0.5732(8) 0.1793(5) 0.3806(9) 0.057(3) Uani 1 1 d . . . H5 H 0.6311 0.1860 0.4382 0.068 Uiso 1 1 calc R . . C6 C 0.4685(9) 0.1689(4) 0.3856(7) 0.048(3) Uani 1 1 d . . . C7 C 0.4360(8) 0.1686(4) 0.4794(7) 0.044(2) Uani 1 1 d . . . C8 C 0.5043(11) 0.1759(5) 0.5745(8) 0.064(3) Uani 1 1 d . . . H8 H 0.5805 0.1808 0.5854 0.076 Uiso 1 1 calc R . . C9 C 0.4594(13) 0.1759(5) 0.6535(8) 0.075(4) Uani 1 1 d . . . H9 H 0.5046 0.1825 0.7180 0.089 Uiso 1 1 calc R . . C10 C 0.3481(12) 0.1661(5) 0.6371(8) 0.067(4) Uani 1 1 d . . . H10 H 0.3170 0.1646 0.6902 0.080 Uiso 1 1 calc R . . C11 C 0.2835(9) 0.1588(4) 0.5413(7) 0.050(3) Uani 1 1 d . . . C12 C 0.1615(9) 0.1480(4) 0.5072(7) 0.054(3) Uani 1 1 d . . . C13 C 0.0942(10) 0.1454(5) 0.5696(8) 0.064(3) Uani 1 1 d . . . H13 H 0.1258 0.1493 0.6381 0.077 Uiso 1 1 calc R . . C14 C -0.0177(11) 0.1374(5) 0.5333(9) 0.072(3) Uani 1 1 d . . . H14 H -0.0626 0.1346 0.5760 0.087 Uiso 1 1 calc R . . C15 C -0.0627(10) 0.1334(6) 0.4307(10) 0.077(4) Uani 1 1 d . . . H15 H -0.1389 0.1284 0.4031 0.093 Uiso 1 1 calc R . . C16 C 0.0076(9) 0.1370(5) 0.3696(8) 0.058(3) Uani 1 1 d . . . H16 H -0.0228 0.1346 0.3008 0.070 Uiso 1 1 calc R . . C17 C 0.3360(9) 0.0182(5) 0.2427(8) 0.058(3) Uani 1 1 d . . . H17 H 0.2985 0.0375 0.2831 0.069 Uiso 1 1 calc R . . C18 C 0.4405(10) -0.0103(5) 0.2883(11) 0.076(4) Uani 1 1 d . . . H18 H 0.4717 -0.0103 0.3571 0.092 Uiso 1 1 calc R . . C19 C 0.4928(13) -0.0380(7) 0.2248(14) 0.118(6) Uani 1 1 d . . . H19 H 0.5633 -0.0546 0.2509 0.141 Uiso 1 1 calc R . . C20 C 0.4442(13) -0.0413(6) 0.1267(13) 0.099(5) Uani 1 1 d . . . H20 H 0.4793 -0.0621 0.0859 0.119 Uiso 1 1 calc R . . C21 C 0.3432(10) -0.0144(5) 0.0858(9) 0.066(3) Uani 1 1 d . . . C22 C 0.2810(13) -0.0172(6) -0.0213(9) 0.081(4) Uani 1 1 d . . . C23 C 0.3175(15) -0.0436(6) -0.0950(11) 0.117(5) Uani 1 1 d . . . H23 H 0.3848 -0.0645 -0.0811 0.141 Uiso 1 1 calc R . . C24 C 0.2500(16) -0.0377(8) -0.1901(12) 0.129(6) Uani 1 1 d . . . H24 H 0.2731 -0.0541 -0.2423 0.155 Uiso 1 1 calc R . . C25 C 0.1473(16) -0.0077(6) -0.2116(11) 0.116(6) Uani 1 1 d . . . H25 H 0.1011 -0.0050 -0.2765 0.139 Uiso 1 1 calc R . . C26 C 0.1180(14) 0.0173(5) -0.1338(9) 0.089(5) Uani 1 1 d . . . C27 C 0.0211(13) 0.0563(6) -0.1380(8) 0.083(4) Uani 1 1 d . . . C28 C -0.0639(18) 0.0661(7) -0.2234(11) 0.132(8) Uani 1 1 d . . . H28 H -0.0618 0.0474 -0.2827 0.159 Uiso 1 1 calc R . . C29 C -0.1501(16) 0.1024(8) -0.2219(10) 0.135(8) Uani 1 1 d . . . H29 H -0.2049 0.1103 -0.2810 0.163 Uiso 1 1 calc R . . C30 C -0.1587(13) 0.1283(7) -0.1331(12) 0.112(6) Uani 1 1 d . . . H30 H -0.2196 0.1523 -0.1320 0.135 Uiso 1 1 calc R . . C31 C -0.0725(11) 0.1171(6) -0.0446(9) 0.074(4) Uani 1 1 d . . . H31 H -0.0772 0.1325 0.0161 0.089 Uiso 1 1 calc R . . Cl1 Cl 0.3226(3) 0.16071(13) -0.0866(2) 0.0707(8) Uani 1 1 d . . . O1 O 0.2404(11) 0.1352(6) -0.1653(7) 0.142(5) Uani 1 1 d . . . O2 O 0.3986(9) 0.1940(5) -0.1243(7) 0.113(3) Uani 1 1 d . . . O3 O 0.3766(9) 0.1111(4) -0.0245(8) 0.105(3) Uani 1 1 d . . . O4 O 0.2781(10) 0.2002(5) -0.0266(7) 0.119(4) Uani 1 1 d . . . Cl2 Cl 0.2691(3) -0.01845(14) 0.5001(2) 0.0738(9) Uani 1 1 d . . . O5 O 0.2856(14) -0.0771(6) 0.4639(12) 0.168(7) Uani 1 1 d . . . O6 O 0.2678(14) -0.0215(11) 0.5930(9) 0.246(10) Uani 1 1 d . . . O7 O 0.3538(10) 0.0218(5) 0.4917(9) 0.119(4) Uani 1 1 d . . . O8 O 0.1681(11) 0.0015(6) 0.4357(10) 0.147(5) Uani 1 1 d . . . Cl3 Cl 0.7905(4) 0.2271(2) 0.1190(4) 0.1496(16) Uani 1 1 d . . . O9 O 0.8291(13) 0.1746(6) 0.1552(13) 0.186(7) Uani 1 1 d . . . O10 O 0.7486(14) 0.2700(8) 0.1708(17) 0.226(10) Uani 1 1 d . . . O11 O 0.8165(15) 0.2478(8) 0.0409(15) 0.220(8) Uani 1 1 d . . . O12 O 0.6722(16) 0.1981(13) 0.058(2) 0.321(15) 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 Pt1 0.04551(19) 0.04157(18) 0.03262(16) -0.00201(15) 0.01003(14) 0.00107(17) Pt2 0.0644(2) 0.0463(2) 0.03313(17) -0.00276(16) 0.01353(16) -0.01206(19) S1 0.0424(13) 0.0557(14) 0.0352(11) 0.0001(10) 0.0074(10) 0.0023(11) N1 0.034(4) 0.043(4) 0.044(4) -0.006(3) 0.005(3) -0.002(3) N2 0.066(5) 0.042(4) 0.021(3) -0.003(3) 0.006(3) -0.007(4) N3 0.048(4) 0.051(5) 0.039(4) -0.001(4) 0.012(3) 0.002(4) N4 0.071(5) 0.045(5) 0.067(5) 0.000(4) 0.039(4) -0.001(4) N5 0.122(8) 0.044(5) 0.045(4) -0.014(4) 0.038(5) -0.027(5) N6 0.094(7) 0.070(6) 0.028(4) 0.007(4) 0.002(4) -0.034(5) C1 0.076(7) 0.042(5) 0.047(5) 0.007(4) 0.007(5) 0.018(5) C2 0.066(7) 0.041(5) 0.050(6) 0.001(4) 0.018(5) 0.005(5) C3 0.073(7) 0.071(8) 0.083(8) 0.009(6) 0.041(6) 0.006(6) C4 0.042(6) 0.077(8) 0.104(10) 0.015(7) 0.021(7) 0.008(6) C5 0.036(5) 0.058(6) 0.078(7) 0.007(6) 0.018(5) 0.000(5) C6 0.049(6) 0.038(5) 0.049(5) -0.001(4) 0.000(5) -0.002(4) C7 0.049(6) 0.036(5) 0.036(5) -0.005(4) -0.003(4) -0.007(4) C8 0.072(8) 0.062(7) 0.042(6) -0.007(5) -0.007(5) -0.010(6) C9 0.124(11) 0.051(6) 0.036(5) 0.000(5) 0.000(7) -0.001(7) C10 0.110(10) 0.052(6) 0.034(5) -0.002(4) 0.013(6) 0.004(7) C11 0.071(7) 0.031(5) 0.041(5) -0.007(4) 0.002(5) -0.001(5) C12 0.079(7) 0.039(5) 0.052(5) 0.007(4) 0.029(5) -0.002(5) C13 0.103(8) 0.053(6) 0.050(5) -0.006(5) 0.043(6) -0.001(6) C14 0.103(8) 0.061(7) 0.072(7) -0.009(6) 0.055(6) -0.013(7) C15 0.067(7) 0.094(9) 0.086(8) -0.007(7) 0.046(6) 0.008(7) C16 0.057(6) 0.069(7) 0.054(6) -0.002(5) 0.024(5) -0.001(6) C17 0.067(7) 0.044(6) 0.061(6) -0.002(5) 0.016(6) -0.011(5) C18 0.058(7) 0.058(7) 0.106(10) 0.012(7) 0.014(7) 0.005(6) C19 0.111(10) 0.094(10) 0.181(15) 0.047(10) 0.096(10) 0.056(8) C20 0.126(10) 0.061(8) 0.142(12) 0.006(8) 0.089(9) 0.028(8) C21 0.089(8) 0.032(5) 0.095(8) 0.001(5) 0.053(7) -0.009(5) C22 0.137(10) 0.054(7) 0.076(7) -0.016(6) 0.068(7) -0.018(7) C23 0.221(14) 0.071(9) 0.107(9) -0.027(7) 0.124(9) -0.030(9) C24 0.205(15) 0.114(12) 0.115(10) -0.056(9) 0.120(10) -0.050(11) C25 0.214(16) 0.081(9) 0.073(8) -0.041(7) 0.073(10) -0.075(10) C26 0.161(13) 0.050(6) 0.062(7) -0.022(6) 0.038(8) -0.048(8) C27 0.134(11) 0.071(7) 0.029(5) 0.002(5) -0.003(6) -0.055(8) C28 0.21(2) 0.097(11) 0.058(8) 0.019(8) -0.011(11) -0.069(12) C29 0.182(17) 0.115(12) 0.052(7) 0.037(8) -0.061(9) -0.077(12) C30 0.088(10) 0.092(10) 0.110(11) 0.050(9) -0.047(9) -0.026(8) C31 0.071(8) 0.080(8) 0.055(7) 0.022(6) -0.007(6) -0.015(7) Cl1 0.108(2) 0.0583(16) 0.0570(15) -0.0133(12) 0.0424(15) -0.0241(15) O1 0.196(11) 0.180(10) 0.045(5) -0.020(6) 0.027(6) -0.112(9) O2 0.159(8) 0.116(7) 0.084(6) -0.013(5) 0.066(6) -0.074(7) O3 0.143(8) 0.069(6) 0.126(8) 0.013(5) 0.073(7) 0.000(6) O4 0.195(10) 0.090(7) 0.090(6) 0.003(5) 0.070(7) 0.049(7) Cl2 0.094(2) 0.0636(18) 0.0602(17) 0.0043(14) 0.0154(16) -0.0076(17) O5 0.204(15) 0.082(8) 0.196(14) -0.009(9) 0.021(12) 0.031(9) O6 0.239(15) 0.45(3) 0.057(7) -0.025(11) 0.057(9) -0.160(18) O7 0.128(9) 0.107(8) 0.122(9) 0.011(7) 0.033(7) -0.032(7) O8 0.127(10) 0.114(9) 0.151(11) -0.040(8) -0.041(8) 0.029(8) Cl3 0.121(3) 0.123(3) 0.250(4) 0.108(3) 0.127(3) 0.070(2) O9 0.150(12) 0.114(9) 0.246(17) 0.070(11) -0.022(12) 0.015(9) O10 0.152(14) 0.142(13) 0.34(3) -0.053(15) -0.009(16) 0.020(11) O11 0.216(15) 0.216(16) 0.245(17) 0.078(14) 0.093(14) -0.071(13) O12 0.139(14) 0.34(3) 0.51(4) 0.15(3) 0.13(2) 0.046(18) _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 N2 1.945(7) . ? Pt1 N3 2.027(8) . ? Pt1 N1 2.034(8) . ? Pt1 S1 2.306(2) . ? Pt2 N5 1.971(9) . ? Pt2 N6 2.024(9) . ? Pt2 N4 2.033(9) . ? Pt2 S1 2.312(3) . ? S1 C1 1.822(10) . ? N1 C2 1.332(13) . ? N1 C6 1.378(11) . ? N2 C7 1.315(13) . ? N2 C11 1.332(13) . ? N3 C16 1.327(13) . ? N3 C12 1.363(12) . ? N4 C17 1.327(13) . ? N4 C21 1.388(14) . ? N5 C22 1.317(17) . ? N5 C26 1.338(15) . ? N6 C31 1.335(17) . ? N6 C27 1.397(15) . ? C1 H1A 0.9600 . ? C1 H2A 0.9600 . ? C1 H3A 0.9600 . ? C2 C3 1.374(16) . ? C2 H2 0.9300 . ? C3 C4 1.369(17) . ? C3 H3 0.9300 . ? C4 C5 1.395(17) . ? C4 H4 0.9300 . ? C5 C6 1.354(14) . ? C5 H5 0.9300 . ? C6 C7 1.477(14) . ? C7 C8 1.372(13) . ? C8 C9 1.374(17) . ? C8 H8 0.9300 . ? C9 C10 1.365(19) . ? C9 H9 0.9300 . ? C10 C11 1.365(14) . ? C10 H10 0.9300 . ? C11 C12 1.488(15) . ? C12 C13 1.375(15) . ? C13 C14 1.362(17) . ? C13 H13 0.9300 . ? C14 C15 1.388(17) . ? C14 H14 0.9300 . ? C15 C16 1.391(16) . ? C15 H15 0.9300 . ? C16 H16 0.9300 . ? C17 C18 1.428(16) . ? C17 H17 0.9300 . ? C18 C19 1.38(2) . ? C18 H18 0.9300 . ? C19 C20 1.34(2) . ? C19 H19 0.9300 . ? C20 C21 1.365(19) . ? C20 H20 0.9300 . ? C21 C22 1.481(17) . ? C22 C23 1.366(18) . ? C23 C24 1.37(2) . ? C23 H23 0.9300 . ? C24 C25 1.40(2) . ? C24 H24 0.9300 . ? C25 C26 1.356(19) . ? C25 H25 0.9300 . ? C26 C27 1.47(2) . ? C27 C28 1.37(2) . ? C28 C29 1.34(3) . ? C28 H28 0.9300 . ? C29 C30 1.39(2) . ? C29 H29 0.9300 . ? C30 C31 1.414(16) . ? C30 H30 0.9300 . ? C31 H31 0.9300 . ? Cl1 O1 1.393(10) . ? Cl1 O2 1.412(10) . ? Cl1 O4 1.420(10) . ? Cl1 O3 1.432(10) . ? Cl2 O6 1.304(12) . ? Cl2 O8 1.399(12) . ? Cl2 O7 1.408(12) . ? Cl2 O5 1.411(13) . ? Cl3 O9 1.289(13) . ? Cl3 O11 1.305(18) . ? Cl3 O10 1.37(2) . ? Cl3 O12 1.62(2) . ? 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 N2 Pt1 N3 80.9(3) . . ? N2 Pt1 N1 80.2(3) . . ? N3 Pt1 N1 160.9(3) . . ? N2 Pt1 S1 176.4(3) . . ? N3 Pt1 S1 95.5(2) . . ? N1 Pt1 S1 103.4(2) . . ? N5 Pt2 N6 82.0(4) . . ? N5 Pt2 N4 79.4(4) . . ? N6 Pt2 N4 161.1(4) . . ? N5 Pt2 S1 172.5(3) . . ? N6 Pt2 S1 94.7(3) . . ? N4 Pt2 S1 104.2(3) . . ? C1 S1 Pt1 100.8(3) . . ? C1 S1 Pt2 104.0(4) . . ? Pt1 S1 Pt2 121.72(11) . . ? C2 N1 C6 118.3(9) . . ? C2 N1 Pt1 128.5(7) . . ? C6 N1 Pt1 113.2(7) . . ? C7 N2 C11 122.3(8) . . ? C7 N2 Pt1 119.1(6) . . ? C11 N2 Pt1 118.5(7) . . ? C16 N3 C12 119.2(9) . . ? C16 N3 Pt1 128.1(7) . . ? C12 N3 Pt1 112.7(7) . . ? C17 N4 C21 118.2(10) . . ? C17 N4 Pt2 128.5(8) . . ? C21 N4 Pt2 113.2(7) . . ? C22 N5 C26 122.1(11) . . ? C22 N5 Pt2 119.6(8) . . ? C26 N5 Pt2 117.7(10) . . ? C31 N6 C27 121.7(11) . . ? C31 N6 Pt2 127.6(8) . . ? C27 N6 Pt2 110.6(9) . . ? S1 C1 H1A 109.5 . . ? S1 C1 H2A 109.5 . . ? H1A C1 H2A 109.5 . . ? S1 C1 H3A 109.5 . . ? H1A C1 H3A 109.5 . . ? H2A C1 H3A 109.5 . . ? N1 C2 C3 123.1(10) . . ? N1 C2 H2 118.4 . . ? C3 C2 H2 118.4 . . ? C4 C3 C2 117.7(12) . . ? C4 C3 H3 121.1 . . ? C2 C3 H3 121.1 . . ? C3 C4 C5 120.9(11) . . ? C3 C4 H4 119.6 . . ? C5 C4 H4 119.6 . . ? C6 C5 C4 118.1(10) . . ? C6 C5 H5 120.9 . . ? C4 C5 H5 120.9 . . ? C5 C6 N1 121.9(10) . . ? C5 C6 C7 124.1(9) . . ? N1 C6 C7 114.0(9) . . ? N2 C7 C8 119.4(10) . . ? N2 C7 C6 113.4(8) . . ? C8 C7 C6 127.2(10) . . ? C7 C8 C9 119.5(12) . . ? C7 C8 H8 120.3 . . ? C9 C8 H8 120.3 . . ? C10 C9 C8 119.8(11) . . ? C10 C9 H9 120.1 . . ? C8 C9 H9 120.1 . . ? C9 C10 C11 118.6(12) . . ? C9 C10 H10 120.7 . . ? C11 C10 H10 120.7 . . ? N2 C11 C10 120.5(11) . . ? N2 C11 C12 112.3(8) . . ? C10 C11 C12 127.2(11) . . ? N3 C12 C13 120.3(10) . . ? N3 C12 C11 115.4(9) . . ? C13 C12 C11 124.3(10) . . ? C14 C13 C12 121.4(11) . . ? C14 C13 H13 119.3 . . ? C12 C13 H13 119.3 . . ? C13 C14 C15 118.0(11) . . ? C13 C14 H14 121.0 . . ? C15 C14 H14 121.0 . . ? C14 C15 C16 119.2(12) . . ? C14 C15 H15 120.4 . . ? C16 C15 H15 120.4 . . ? N3 C16 C15 122.0(10) . . ? N3 C16 H16 119.0 . . ? C15 C16 H16 119.0 . . ? N4 C17 C18 122.3(12) . . ? N4 C17 H17 118.9 . . ? C18 C17 H17 118.9 . . ? C19 C18 C17 116.5(13) . . ? C19 C18 H18 121.8 . . ? C17 C18 H18 121.8 . . ? C20 C19 C18 121.4(14) . . ? C20 C19 H19 119.3 . . ? C18 C19 H19 119.3 . . ? C19 C20 C21 120.5(14) . . ? C19 C20 H20 119.8 . . ? C21 C20 H20 119.8 . . ? C20 C21 N4 120.8(12) . . ? C20 C21 C22 124.6(13) . . ? N4 C21 C22 114.6(11) . . ? N5 C22 C23 121.7(13) . . ? N5 C22 C21 112.3(10) . . ? C23 C22 C21 125.8(14) . . ? C24 C23 C22 116.5(16) . . ? C24 C23 H23 121.8 . . ? C22 C23 H23 121.8 . . ? C23 C24 C25 122.2(14) . . ? C23 C24 H24 118.9 . . ? C25 C24 H24 118.9 . . ? C26 C25 C24 117.1(15) . . ? C26 C25 H25 121.4 . . ? C24 C25 H25 121.4 . . ? N5 C26 C25 120.2(16) . . ? N5 C26 C27 112.0(11) . . ? C25 C26 C27 127.5(14) . . ? C28 C27 N6 118.9(16) . . ? C28 C27 C26 123.6(14) . . ? N6 C27 C26 117.5(10) . . ? C29 C28 C27 120.5(16) . . ? C29 C28 H28 119.8 . . ? C27 C28 H28 119.8 . . ? C28 C29 C30 121.1(14) . . ? C28 C29 H29 119.5 . . ? C30 C29 H29 119.5 . . ? C29 C30 C31 118.4(16) . . ? C29 C30 H30 120.8 . . ? C31 C30 H30 120.8 . . ? N6 C31 C30 119.2(14) . . ? N6 C31 H31 120.4 . . ? C30 C31 H31 120.4 . . ? O1 Cl1 O2 109.7(6) . . ? O1 Cl1 O4 112.4(8) . . ? O2 Cl1 O4 109.1(7) . . ? O1 Cl1 O3 107.2(7) . . ? O2 Cl1 O3 111.1(7) . . ? O4 Cl1 O3 107.4(6) . . ? O6 Cl2 O8 113.1(11) . . ? O6 Cl2 O7 109.7(9) . . ? O8 Cl2 O7 108.6(8) . . ? O6 Cl2 O5 110.7(13) . . ? O8 Cl2 O5 104.4(8) . . ? O7 Cl2 O5 110.2(9) . . ? O9 Cl3 O11 118.7(13) . . ? O9 Cl3 O10 123.7(13) . . ? O11 Cl3 O10 115.3(13) . . ? O9 Cl3 O12 92.7(12) . . ? O11 Cl3 O12 96.0(13) . . ? O10 Cl3 O12 96.4(12) . . ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 26.96 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 2.112 _refine_diff_density_min -1.162 _refine_diff_density_rms 0.214