data_ipds2930 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C39 H38 Br2 Cl2 P2 Pt2 S2' _chemical_formula_weight 1253.65 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' 'Br' 'Br' -0.2901 2.4595 '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' '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' 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 11.350(2) _cell_length_b 13.561(3) _cell_length_c 14.212(3) _cell_angle_alpha 98.75(2) _cell_angle_beta 112.40(2) _cell_angle_gamma 92.88(3) _cell_volume 1984.6(7) _cell_formula_units_Z 2 _cell_measurement_temperature 220(2) _cell_measurement_reflns_used 7998 _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.75 _exptl_crystal_size_mid 0.37 _exptl_crystal_size_min 0.37 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.098 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1188 _exptl_absorpt_coefficient_mu 9.403 _exptl_absorpt_correction_type numerical _exptl_absorpt_correction_T_min 0.0313 _exptl_absorpt_correction_T_max 0.1126 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 220(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 ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 15269 _diffrn_reflns_av_R_equivalents 0.0685 _diffrn_reflns_av_sigmaI/netI 0.0617 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_theta_min 1.97 _diffrn_reflns_theta_max 25.91 _reflns_number_total 7082 _reflns_number_gt 6397 _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^)+(0.0589P)^2^+15.0466P] 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 calc _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0007(3) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 7082 _refine_ls_number_parameters 443 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0478 _refine_ls_R_factor_gt 0.0423 _refine_ls_wR_factor_ref 0.1218 _refine_ls_wR_factor_gt 0.1148 _refine_ls_goodness_of_fit_ref 1.077 _refine_ls_restrained_S_all 1.077 _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 0.7624(9) 0.5227(8) 0.4021(7) 0.038(2) Uani 1 1 d . . . H3 H 0.8007 0.5032 0.3535 0.045 Uiso 1 1 calc R . . H2 H 0.6870 0.4771 0.3858 0.045 Uiso 1 1 calc R . . H1 H 0.8227 0.5210 0.4708 0.045 Uiso 1 1 calc R . . C2 C 0.3086(8) 0.5862(9) 0.3815(7) 0.040(2) Uani 1 1 d . . . H6 H 0.2476 0.5336 0.3308 0.048 Uiso 1 1 calc R . . H5 H 0.2885 0.6499 0.3618 0.048 Uiso 1 1 calc R . . H4 H 0.3048 0.5856 0.4478 0.048 Uiso 1 1 calc R . . C3 C 0.7840(8) 0.9233(7) 0.6597(7) 0.0290(19) Uani 1 1 d . . . C4 C 0.6849(9) 0.9620(8) 0.5887(8) 0.041(2) Uani 1 1 d . . . H7 H 0.6304 0.9205 0.5273 0.049 Uiso 1 1 calc R . . C5 C 0.6659(11) 1.0621(10) 0.6082(10) 0.057(3) Uani 1 1 d . . . H8 H 0.6005 1.0877 0.5590 0.069 Uiso 1 1 calc R . . C6 C 0.7438(11) 1.1238(9) 0.7006(10) 0.050(3) Uani 1 1 d . . . H9 H 0.7266 1.1893 0.7159 0.060 Uiso 1 1 calc R . . C7 C 0.8474(13) 1.0881(9) 0.7701(9) 0.060(3) Uani 1 1 d . . . H10 H 0.9038 1.1305 0.8300 0.073 Uiso 1 1 calc R . . C8 C 0.8662(11) 0.9886(8) 0.7493(8) 0.046(3) Uani 1 1 d . . . H11 H 0.9355 0.9645 0.7963 0.055 Uiso 1 1 calc R . . C9 C 0.8731(7) 0.7506(7) 0.7552(6) 0.0247(17) Uani 1 1 d . . . C10 C 0.9987(8) 0.7859(8) 0.8240(6) 0.034(2) Uani 1 1 d . . . H12 H 1.0503 0.8290 0.8067 0.040 Uiso 1 1 calc R . . C11 C 1.0454(9) 0.7549(9) 0.9199(7) 0.040(2) Uani 1 1 d . . . H13 H 1.1292 0.7778 0.9663 0.048 Uiso 1 1 calc R . . C12 C 0.9722(10) 0.6929(8) 0.9465(7) 0.040(2) Uani 1 1 d . . . H14 H 1.0043 0.6753 1.0116 0.048 Uiso 1 1 calc R . . C13 C 0.8487(10) 0.6554(8) 0.8769(7) 0.039(2) Uani 1 1 d . . . H15 H 0.7988 0.6105 0.8939 0.047 Uiso 1 1 calc R . . C14 C 0.8001(9) 0.6852(8) 0.7820(7) 0.034(2) Uani 1 1 d . . . H16 H 0.7168 0.6606 0.7356 0.041 Uiso 1 1 calc R . . C15 C 0.9355(7) 0.7956(7) 0.5847(6) 0.0257(18) Uani 1 1 d . . . C16 C 1.0179(8) 0.7221(7) 0.5967(7) 0.0315(19) Uani 1 1 d . . . H17 H 1.0149 0.6745 0.6368 0.038 Uiso 1 1 calc R . . C17 C 1.1047(8) 0.7189(8) 0.5495(7) 0.035(2) Uani 1 1 d . . . H18 H 1.1600 0.6696 0.5592 0.042 Uiso 1 1 calc R . . C18 C 1.1107(9) 0.7875(8) 0.4885(7) 0.038(2) Uani 1 1 d . . . H19 H 1.1707 0.7854 0.4585 0.045 Uiso 1 1 calc R . . C19 C 1.0281(9) 0.8580(8) 0.4729(7) 0.037(2) Uani 1 1 d . . . H20 H 1.0298 0.9031 0.4301 0.044 Uiso 1 1 calc R . . C20 C 0.9405(8) 0.8637(7) 0.5203(7) 0.0314(19) Uani 1 1 d . . . H21 H 0.8851 0.9129 0.5093 0.038 Uiso 1 1 calc R . . C21 C 0.6607(7) 0.8311(6) 0.2135(6) 0.0240(17) Uani 1 1 d . . . C22 C 0.7226(9) 0.8869(7) 0.1676(8) 0.039(2) Uani 1 1 d . . . H22 H 0.7428 0.8549 0.1140 0.046 Uiso 1 1 calc R . . C23 C 0.7541(11) 0.9888(10) 0.2010(9) 0.055(3) Uani 1 1 d . . . H23 H 0.7975 1.0250 0.1710 0.066 Uiso 1 1 calc R . . C24 C 0.7231(12) 1.0362(8) 0.2760(9) 0.054(3) Uani 1 1 d . . . H24 H 0.7430 1.1056 0.2961 0.065 Uiso 1 1 calc R . . C25 C 0.6620(14) 0.9845(9) 0.3245(9) 0.058(3) Uani 1 1 d . . . H25 H 0.6428 1.0185 0.3779 0.070 Uiso 1 1 calc R . . C26 C 0.6296(10) 0.8818(7) 0.2928(7) 0.040(2) Uani 1 1 d . . . H26 H 0.5873 0.8463 0.3241 0.048 Uiso 1 1 calc R . . C27 C 0.7576(7) 0.6412(7) 0.1752(6) 0.0248(17) Uani 1 1 d . . . C28 C 0.8790(8) 0.6953(8) 0.2151(7) 0.036(2) Uani 1 1 d . . . H27 H 0.8897 0.7641 0.2394 0.043 Uiso 1 1 calc R . . C29 C 0.9839(9) 0.6456(10) 0.2183(9) 0.056(3) Uani 1 1 d . . . H28 H 1.0651 0.6817 0.2444 0.067 Uiso 1 1 calc R . . C30 C 0.9698(9) 0.5453(9) 0.1840(8) 0.047(3) Uani 1 1 d . . . H29 H 1.0413 0.5131 0.1872 0.056 Uiso 1 1 calc R . . C31 C 0.8479(9) 0.4896(8) 0.1435(8) 0.038(2) Uani 1 1 d . . . H30 H 0.8382 0.4209 0.1190 0.046 Uiso 1 1 calc R . . C32 C 0.7441(8) 0.5372(7) 0.1404(8) 0.036(2) Uani 1 1 d . . . H31 H 0.6635 0.5003 0.1149 0.044 Uiso 1 1 calc R . . C33 C 0.5260(7) 0.6918(6) 0.0264(6) 0.0225(16) Uani 1 1 d . . . C34 C 0.4249(8) 0.7507(8) -0.0016(7) 0.036(2) Uani 1 1 d . . . H32 H 0.3998 0.7854 0.0480 0.043 Uiso 1 1 calc R . . C35 C 0.3628(9) 0.7560(9) -0.1058(7) 0.042(2) Uani 1 1 d . . . H33 H 0.2951 0.7946 -0.1259 0.050 Uiso 1 1 calc R . . C36 C 0.3995(9) 0.7052(8) -0.1801(6) 0.037(2) Uani 1 1 d . . . H34 H 0.3571 0.7105 -0.2492 0.045 Uiso 1 1 calc R . . C37 C 0.4967(9) 0.6477(7) -0.1532(7) 0.0318(19) Uani 1 1 d . . . H35 H 0.5207 0.6130 -0.2035 0.038 Uiso 1 1 calc R . . C38 C 0.5617(8) 0.6409(7) -0.0481(6) 0.0286(18) Uani 1 1 d . . . H36 H 0.6290 0.6018 -0.0291 0.034 Uiso 1 1 calc R . . C39 C 0.6841(14) 0.9074(12) 0.8893(13) 0.077(4) Uani 1 1 d . . . H37 H 0.6783 0.9065 0.8193 0.093 Uiso 1 1 calc R . . H38 H 0.6511 0.8412 0.8927 0.093 Uiso 1 1 calc R . . Br1 Br 0.49817(9) 0.75013(9) 0.60996(8) 0.0451(3) Uani 1 1 d . . . Br2 Br 0.30120(9) 0.61839(9) 0.13733(8) 0.0436(3) Uani 1 1 d . . . P1 P 0.80559(18) 0.79226(17) 0.62965(15) 0.0234(4) Uani 1 1 d . . . P2 P 0.61341(18) 0.69751(16) 0.16643(15) 0.0204(4) Uani 1 1 d . . . S1 S 0.71890(17) 0.64905(16) 0.39512(14) 0.0233(4) Uani 1 1 d . . . S2 S 0.46825(18) 0.56655(16) 0.38940(15) 0.0252(4) Uani 1 1 d . . . Pt1 Pt 0.62850(3) 0.69188(2) 0.51294(2) 0.02126(13) Uani 1 1 d . . . Pt2 Pt 0.52109(2) 0.63104(2) 0.26240(2) 0.01939(13) Uani 1 1 d . . . Cl1 Cl 0.8481(3) 0.9361(3) 0.9780(3) 0.0741(10) Uani 1 1 d . . . Cl2 Cl 0.5939(5) 0.9943(5) 0.9183(4) 0.118(2) 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 0.039(5) 0.041(6) 0.029(5) 0.013(4) 0.006(4) 0.019(4) C2 0.022(4) 0.068(7) 0.026(4) -0.002(4) 0.010(3) -0.006(4) C3 0.029(4) 0.030(5) 0.028(4) 0.006(3) 0.011(3) 0.006(3) C4 0.033(5) 0.036(6) 0.045(6) 0.006(4) 0.005(4) 0.011(4) C5 0.045(6) 0.056(8) 0.065(8) 0.014(6) 0.012(5) 0.024(5) C6 0.065(7) 0.031(6) 0.066(7) 0.011(5) 0.039(6) 0.010(5) C7 0.081(8) 0.042(7) 0.039(6) 0.001(5) 0.006(6) 0.005(6) C8 0.055(6) 0.036(6) 0.030(5) 0.001(4) 0.001(4) 0.008(5) C9 0.023(4) 0.030(5) 0.021(4) 0.009(3) 0.007(3) 0.006(3) C10 0.030(4) 0.045(6) 0.024(4) 0.011(4) 0.006(3) 0.009(4) C11 0.029(4) 0.068(7) 0.019(4) 0.010(4) 0.004(3) 0.016(4) C12 0.047(5) 0.056(7) 0.027(5) 0.023(4) 0.016(4) 0.023(5) C13 0.046(5) 0.049(7) 0.037(5) 0.021(4) 0.024(4) 0.020(5) C14 0.030(4) 0.044(6) 0.034(5) 0.019(4) 0.012(4) 0.013(4) C15 0.021(4) 0.029(5) 0.021(4) 0.000(3) 0.004(3) -0.001(3) C16 0.030(4) 0.031(5) 0.031(4) 0.008(3) 0.008(3) 0.006(4) C17 0.023(4) 0.040(6) 0.036(5) -0.002(4) 0.008(4) 0.004(4) C18 0.041(5) 0.043(6) 0.034(5) 0.002(4) 0.024(4) -0.001(4) C19 0.041(5) 0.033(6) 0.036(5) 0.005(4) 0.017(4) -0.007(4) C20 0.028(4) 0.034(5) 0.032(5) 0.009(4) 0.012(4) 0.004(4) C21 0.023(4) 0.014(4) 0.031(4) 0.008(3) 0.004(3) -0.003(3) C22 0.044(5) 0.023(5) 0.049(6) 0.008(4) 0.019(4) 0.001(4) C23 0.052(6) 0.051(8) 0.051(7) 0.017(5) 0.008(5) -0.016(5) C24 0.075(8) 0.017(6) 0.057(7) 0.003(5) 0.016(6) -0.014(5) C25 0.100(10) 0.029(7) 0.041(6) 0.004(4) 0.023(6) 0.013(6) C26 0.059(6) 0.027(6) 0.033(5) 0.003(4) 0.020(4) 0.002(4) C27 0.025(4) 0.031(5) 0.020(4) 0.007(3) 0.009(3) 0.009(3) C28 0.025(4) 0.035(6) 0.034(5) -0.007(4) 0.002(4) 0.002(4) C29 0.022(5) 0.075(9) 0.052(7) -0.008(6) 0.003(4) 0.003(5) C30 0.030(5) 0.050(7) 0.049(6) -0.006(5) 0.008(4) 0.013(4) C31 0.039(5) 0.029(5) 0.040(5) -0.004(4) 0.013(4) 0.008(4) C32 0.027(4) 0.029(5) 0.048(6) 0.003(4) 0.010(4) 0.002(4) C33 0.021(4) 0.028(5) 0.017(4) 0.005(3) 0.006(3) -0.002(3) C34 0.032(4) 0.051(6) 0.030(5) 0.013(4) 0.015(4) 0.017(4) C35 0.035(5) 0.059(7) 0.034(5) 0.024(5) 0.008(4) 0.020(5) C36 0.034(5) 0.055(7) 0.014(4) 0.008(4) 0.001(3) -0.007(4) C37 0.038(5) 0.033(5) 0.024(4) 0.005(3) 0.012(4) -0.002(4) C38 0.029(4) 0.035(5) 0.023(4) 0.005(3) 0.011(3) 0.006(4) C39 0.070(9) 0.072(11) 0.085(11) 0.002(8) 0.030(8) 0.009(7) Br1 0.0390(5) 0.0598(7) 0.0374(5) 0.0042(4) 0.0179(4) 0.0057(4) Br2 0.0299(5) 0.0594(7) 0.0346(5) 0.0109(4) 0.0049(4) 0.0016(4) P1 0.0195(9) 0.0291(12) 0.0185(9) 0.0050(8) 0.0039(7) 0.0018(8) P2 0.0184(9) 0.0238(11) 0.0179(9) 0.0033(7) 0.0064(7) 0.0012(7) S1 0.0175(8) 0.0324(12) 0.0165(9) 0.0035(7) 0.0036(7) 0.0018(7) S2 0.0254(9) 0.0280(12) 0.0196(9) 0.0051(7) 0.0065(7) -0.0036(8) Pt1 0.01855(17) 0.0276(2) 0.01574(17) 0.00457(12) 0.00464(12) 0.00123(12) Pt2 0.01810(17) 0.0232(2) 0.01516(17) 0.00373(11) 0.00480(12) 0.00111(12) Cl1 0.0521(17) 0.104(3) 0.073(2) 0.020(2) 0.0300(16) 0.0174(17) Cl2 0.084(3) 0.131(4) 0.119(4) 0.015(3) 0.017(3) 0.059(3) _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 S1 1.813(9) . ? C2 S2 1.809(9) . ? C3 C4 1.383(12) . ? C3 C8 1.394(13) . ? C3 P1 1.815(9) . ? C4 C5 1.387(15) . ? C5 C6 1.383(17) . ? C6 C7 1.382(16) . ? C7 C8 1.382(16) . ? C9 C14 1.374(13) . ? C9 C10 1.395(12) . ? C9 P1 1.843(8) . ? C10 C11 1.400(12) . ? C11 C12 1.344(16) . ? C12 C13 1.386(15) . ? C13 C14 1.381(13) . ? C15 C16 1.386(12) . ? C15 C20 1.409(13) . ? C15 P1 1.818(8) . ? C16 C17 1.386(13) . ? C17 C18 1.381(15) . ? C18 C19 1.355(14) . ? C19 C20 1.397(13) . ? C21 C22 1.392(14) . ? C21 C26 1.400(13) . ? C21 P2 1.810(8) . ? C22 C23 1.373(16) . ? C23 C24 1.332(18) . ? C24 C25 1.383(18) . ? C25 C26 1.382(16) . ? C27 C28 1.391(13) . ? C27 C32 1.402(13) . ? C27 P2 1.810(8) . ? C28 C29 1.386(13) . ? C29 C30 1.352(16) . ? C30 C31 1.405(15) . ? C31 C32 1.360(12) . ? C33 C38 1.376(11) . ? C33 C34 1.398(11) . ? C33 P2 1.841(8) . ? C34 C35 1.392(12) . ? C35 C36 1.381(14) . ? C36 C37 1.351(13) . ? C37 C38 1.412(12) . ? C39 Cl2 1.705(14) . ? C39 Cl1 1.787(15) . ? Br1 Pt1 2.4603(11) . ? Br2 Pt2 2.4290(12) . ? P1 Pt1 2.267(2) . ? P2 Pt2 2.267(2) . ? S1 Pt2 2.2880(19) . ? S1 Pt1 2.295(2) . ? S2 Pt1 2.372(2) . ? S2 Pt2 2.374(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 C4 C3 C8 118.0(9) . . ? C4 C3 P1 118.9(7) . . ? C8 C3 P1 123.1(7) . . ? C3 C4 C5 120.7(10) . . ? C6 C5 C4 120.2(10) . . ? C7 C6 C5 119.9(11) . . ? C6 C7 C8 119.2(11) . . ? C7 C8 C3 121.8(9) . . ? C14 C9 C10 119.5(8) . . ? C14 C9 P1 120.4(6) . . ? C10 C9 P1 120.1(7) . . ? C9 C10 C11 118.5(10) . . ? C12 C11 C10 121.6(9) . . ? C11 C12 C13 119.9(9) . . ? C14 C13 C12 119.6(10) . . ? C9 C14 C13 120.9(9) . . ? C16 C15 C20 117.6(8) . . ? C16 C15 P1 121.8(7) . . ? C20 C15 P1 119.6(6) . . ? C15 C16 C17 120.5(9) . . ? C18 C17 C16 121.4(8) . . ? C19 C18 C17 119.1(9) . . ? C18 C19 C20 120.8(10) . . ? C19 C20 C15 120.6(8) . . ? C22 C21 C26 118.3(8) . . ? C22 C21 P2 120.7(7) . . ? C26 C21 P2 120.9(7) . . ? C23 C22 C21 120.5(10) . . ? C24 C23 C22 120.5(12) . . ? C23 C24 C25 121.4(11) . . ? C26 C25 C24 119.3(11) . . ? C25 C26 C21 119.9(11) . . ? C28 C27 C32 119.3(7) . . ? C28 C27 P2 123.5(7) . . ? C32 C27 P2 117.2(7) . . ? C29 C28 C27 119.4(9) . . ? C30 C29 C28 120.9(10) . . ? C29 C30 C31 120.4(9) . . ? C32 C31 C30 119.4(9) . . ? C31 C32 C27 120.6(9) . . ? C38 C33 C34 120.1(7) . . ? C38 C33 P2 123.9(6) . . ? C34 C33 P2 115.8(6) . . ? C35 C34 C33 118.1(8) . . ? C36 C35 C34 121.5(8) . . ? C37 C36 C35 120.4(8) . . ? C36 C37 C38 119.5(8) . . ? C33 C38 C37 120.4(8) . . ? Cl2 C39 Cl1 110.5(9) . . ? C3 P1 C15 104.3(4) . . ? C3 P1 C9 105.8(4) . . ? C15 P1 C9 105.2(4) . . ? C3 P1 Pt1 115.4(3) . . ? C15 P1 Pt1 111.9(3) . . ? C9 P1 Pt1 113.4(3) . . ? C21 P2 C27 106.8(4) . . ? C21 P2 C33 102.0(4) . . ? C27 P2 C33 103.6(4) . . ? C21 P2 Pt2 110.8(3) . . ? C27 P2 Pt2 110.7(3) . . ? C33 P2 Pt2 121.6(3) . . ? C1 S1 Pt2 105.6(3) . . ? C1 S1 Pt1 108.0(3) . . ? Pt2 S1 Pt1 90.22(7) . . ? C2 S2 Pt1 112.8(3) . . ? C2 S2 Pt2 113.5(4) . . ? Pt1 S2 Pt2 86.34(7) . . ? P1 Pt1 S1 94.30(7) . . ? P1 Pt1 S2 170.10(7) . . ? S1 Pt1 S2 79.06(7) . . ? P1 Pt1 Br1 92.01(6) . . ? S1 Pt1 Br1 168.28(5) . . ? S2 Pt1 Br1 95.84(6) . . ? P2 Pt2 S1 89.00(7) . . ? P2 Pt2 S2 168.16(7) . . ? S1 Pt2 S2 79.16(7) . . ? P2 Pt2 Br2 96.28(6) . . ? S1 Pt2 Br2 173.11(5) . . ? S2 Pt2 Br2 95.53(6) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C8 C3 C4 C5 -2.0(17) . . . . ? P1 C3 C4 C5 -179.3(10) . . . . ? C3 C4 C5 C6 -2.0(19) . . . . ? C4 C5 C6 C7 5(2) . . . . ? C5 C6 C7 C8 -5(2) . . . . ? C6 C7 C8 C3 1(2) . . . . ? C4 C3 C8 C7 2.8(18) . . . . ? P1 C3 C8 C7 179.9(10) . . . . ? C14 C9 C10 C11 -1.5(13) . . . . ? P1 C9 C10 C11 178.2(7) . . . . ? C9 C10 C11 C12 -0.3(14) . . . . ? C10 C11 C12 C13 2.2(15) . . . . ? C11 C12 C13 C14 -2.5(15) . . . . ? C10 C9 C14 C13 1.2(13) . . . . ? P1 C9 C14 C13 -178.4(7) . . . . ? C12 C13 C14 C9 0.8(14) . . . . ? C20 C15 C16 C17 2.2(12) . . . . ? P1 C15 C16 C17 171.2(7) . . . . ? C15 C16 C17 C18 -0.8(14) . . . . ? C16 C17 C18 C19 -1.4(14) . . . . ? C17 C18 C19 C20 2.1(14) . . . . ? C18 C19 C20 C15 -0.6(14) . . . . ? C16 C15 C20 C19 -1.5(12) . . . . ? P1 C15 C20 C19 -170.8(7) . . . . ? C26 C21 C22 C23 1.1(14) . . . . ? P2 C21 C22 C23 177.6(8) . . . . ? C21 C22 C23 C24 -1.7(16) . . . . ? C22 C23 C24 C25 1.9(19) . . . . ? C23 C24 C25 C26 -1.6(19) . . . . ? C24 C25 C26 C21 1.0(17) . . . . ? C22 C21 C26 C25 -0.8(14) . . . . ? P2 C21 C26 C25 -177.3(8) . . . . ? C32 C27 C28 C29 0.9(15) . . . . ? P2 C27 C28 C29 -179.7(8) . . . . ? C27 C28 C29 C30 -0.5(18) . . . . ? C28 C29 C30 C31 0.6(19) . . . . ? C29 C30 C31 C32 -0.9(18) . . . . ? C30 C31 C32 C27 1.3(16) . . . . ? C28 C27 C32 C31 -1.3(15) . . . . ? P2 C27 C32 C31 179.3(8) . . . . ? C38 C33 C34 C35 -0.1(15) . . . . ? P2 C33 C34 C35 174.5(8) . . . . ? C33 C34 C35 C36 -0.3(17) . . . . ? C34 C35 C36 C37 0.7(17) . . . . ? C35 C36 C37 C38 -0.7(16) . . . . ? C34 C33 C38 C37 0.0(14) . . . . ? P2 C33 C38 C37 -174.1(7) . . . . ? C36 C37 C38 C33 0.4(15) . . . . ? C4 C3 P1 C15 100.2(9) . . . . ? C8 C3 P1 C15 -77.0(10) . . . . ? C4 C3 P1 C9 -149.1(8) . . . . ? C8 C3 P1 C9 33.7(10) . . . . ? C4 C3 P1 Pt1 -23.0(9) . . . . ? C8 C3 P1 Pt1 159.9(8) . . . . ? C16 C15 P1 C3 151.1(7) . . . . ? C20 C15 P1 C3 -40.1(7) . . . . ? C16 C15 P1 C9 40.0(8) . . . . ? C20 C15 P1 C9 -151.2(7) . . . . ? C16 C15 P1 Pt1 -83.5(7) . . . . ? C20 C15 P1 Pt1 85.3(7) . . . . ? C14 C9 P1 C3 109.2(8) . . . . ? C10 C9 P1 C3 -70.4(8) . . . . ? C14 C9 P1 C15 -140.8(7) . . . . ? C10 C9 P1 C15 39.6(8) . . . . ? C14 C9 P1 Pt1 -18.2(8) . . . . ? C10 C9 P1 Pt1 162.2(6) . . . . ? C22 C21 P2 C27 57.6(8) . . . . ? C26 C21 P2 C27 -126.0(7) . . . . ? C22 C21 P2 C33 -50.8(7) . . . . ? C26 C21 P2 C33 125.6(7) . . . . ? C22 C21 P2 Pt2 178.3(6) . . . . ? C26 C21 P2 Pt2 -5.3(8) . . . . ? C28 C27 P2 C21 2.1(9) . . . . ? C32 C27 P2 C21 -178.5(7) . . . . ? C28 C27 P2 C33 109.3(8) . . . . ? C32 C27 P2 C33 -71.2(8) . . . . ? C28 C27 P2 Pt2 -118.7(8) . . . . ? C32 C27 P2 Pt2 60.7(7) . . . . ? C38 C33 P2 C21 119.4(8) . . . . ? C34 C33 P2 C21 -55.0(8) . . . . ? C38 C33 P2 C27 8.5(9) . . . . ? C34 C33 P2 C27 -165.9(7) . . . . ? C38 C33 P2 Pt2 -116.6(7) . . . . ? C34 C33 P2 Pt2 69.0(8) . . . . ? C3 P1 Pt1 S1 118.6(3) . . . . ? C15 P1 Pt1 S1 -0.4(3) . . . . ? C9 P1 Pt1 S1 -119.2(3) . . . . ? C3 P1 Pt1 S2 166.0(5) . . . . ? C15 P1 Pt1 S2 47.0(6) . . . . ? C9 P1 Pt1 S2 -71.8(5) . . . . ? C3 P1 Pt1 Br1 -51.5(3) . . . . ? C15 P1 Pt1 Br1 -170.5(3) . . . . ? C9 P1 Pt1 Br1 70.6(3) . . . . ? C1 S1 Pt1 P1 103.6(3) . . . . ? Pt2 S1 Pt1 P1 -149.94(8) . . . . ? C1 S1 Pt1 S2 -69.0(3) . . . . ? Pt2 S1 Pt1 S2 37.47(7) . . . . ? C1 S1 Pt1 Br1 -134.1(4) . . . . ? Pt2 S1 Pt1 Br1 -27.6(3) . . . . ? C2 S2 Pt1 P1 161.6(5) . . . . ? Pt2 S2 Pt1 P1 -84.4(4) . . . . ? C2 S2 Pt1 S1 -150.0(4) . . . . ? Pt2 S2 Pt1 S1 -35.98(7) . . . . ? C2 S2 Pt1 Br1 19.4(4) . . . . ? Pt2 S2 Pt1 Br1 133.36(5) . . . . ? C21 P2 Pt2 S1 -72.4(3) . . . . ? C27 P2 Pt2 S1 45.9(3) . . . . ? C33 P2 Pt2 S1 167.8(3) . . . . ? C21 P2 Pt2 S2 -72.4(4) . . . . ? C27 P2 Pt2 S2 46.0(5) . . . . ? C33 P2 Pt2 S2 167.9(4) . . . . ? C21 P2 Pt2 Br2 103.1(3) . . . . ? C27 P2 Pt2 Br2 -138.5(3) . . . . ? C33 P2 Pt2 Br2 -16.6(3) . . . . ? C1 S1 Pt2 P2 -108.6(4) . . . . ? Pt1 S1 Pt2 P2 142.57(8) . . . . ? C1 S1 Pt2 S2 71.4(4) . . . . ? Pt1 S1 Pt2 S2 -37.42(7) . . . . ? C1 S1 Pt2 Br2 111.2(6) . . . . ? Pt1 S1 Pt2 Br2 2.5(6) . . . . ? C2 S2 Pt2 P2 149.3(5) . . . . ? Pt1 S2 Pt2 P2 36.0(4) . . . . ? C2 S2 Pt2 S1 149.4(4) . . . . ? Pt1 S2 Pt2 S1 36.09(7) . . . . ? C2 S2 Pt2 Br2 -26.2(4) . . . . ? Pt1 S2 Pt2 Br2 -139.48(5) . . . . ? _diffrn_measured_fraction_theta_max 0.916 _diffrn_reflns_theta_full 25.91 _diffrn_measured_fraction_theta_full 0.916 _refine_diff_density_max 1.888 _refine_diff_density_min -3.218 _refine_diff_density_rms 0.227