# Supplementary Material (ESI) for Dalton Transactions # This journal is (c) The Royal Society of Chemistry 2009 data_global _journal_name_full 'Dalton Trans.' _journal_coden_Cambridge 0222 _publ_contact_author_name 'Pierre Braunstein' _publ_contact_author_email BRAUNSTEIN@CHIMIE.U-STRASBG.FR _publ_section_title ; Di- and Trinuclear Phosphido-Bridged Platinum Complexes. Crystal structures of [Pt{CH2=CHC(O)OMe}(PPh3)2]?CH2Cl2, trans-[Pt2(?-PPh2)2I2(PPh3)2] and cis,cis,cis-[Pt3(?-I)2(?-PPh2)2 Cl0.5I1.5(PPh3)2] ; loop_ _publ_author_name 'Pierre Braunstein' 'Robert Bender' 'Cco Okio' 'Richard Welter' # Attachment 'Complex_2.cif' data_pt_acrylate _database_code_depnum_ccdc_archive 'CCDC 717938' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C40 H36 O2 P2 Pt, C H2 Cl2' _chemical_formula_sum 'C41 H38 Cl2 O2 P2 Pt' _chemical_formula_weight 890.64 _chemical_absolute_configuration . 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' Pt Pt -1.7033 8.3905 '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' O O 0.0106 0.0060 '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' _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 12.160(2) _cell_length_b 14.283(2) _cell_length_c 21.322(2) _cell_angle_alpha 90.00 _cell_angle_beta 90.27(5) _cell_angle_gamma 90.00 _cell_volume 3703.2(9) _cell_formula_units_Z 4 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 19524 _cell_measurement_theta_min 0.998 _cell_measurement_theta_max 30.034 _exptl_crystal_description prism _exptl_crystal_colour 'pale yellow' _exptl_crystal_size_max 0.13 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.08 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.597 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1768 _exptl_absorpt_coefficient_mu 4.054 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; The absorption was not corrected, small single crystals ; _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71070 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type KappaCCD _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 10820 _diffrn_reflns_av_R_equivalents 0.0326 _diffrn_reflns_av_sigmaI/netI 0.0582 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 30 _diffrn_reflns_theta_min 2.38 _diffrn_reflns_theta_max 30.04 _reflns_number_total 10819 _reflns_number_gt 7538 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Collect (Nonius B.V., 1998)' _computing_cell_refinement 'Denzo (Nonius B.V., 1998)' _computing_data_reduction 'Denzo (Nonius B.V., 1998)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'PLATON 98 (Spek, 1998)' _computing_publication_material 'SHELXL-97 (Sheldrick, 1997)' _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^)+(0.0192P)^2^+0.3996P] 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 10819 _refine_ls_number_parameters 433 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0479 _refine_ls_R_factor_gt 0.0283 _refine_ls_wR_factor_ref 0.0803 _refine_ls_wR_factor_gt 0.0737 _refine_ls_goodness_of_fit_ref 0.981 _refine_ls_restrained_S_all 0.981 _refine_ls_shift/su_max 0.003 _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 Pt Pt 0.438999(8) 0.749278(7) 0.222026(4) 0.01807(4) Uani 1 1 d . . . P1 P 0.26735(6) 0.80310(5) 0.20129(3) 0.02015(14) Uani 1 1 d . . . P2 P 0.53367(6) 0.76011(4) 0.12970(3) 0.01863(14) Uani 1 1 d . . . O1 O 0.73376(18) 0.72992(15) 0.28562(11) 0.0325(5) Uani 1 1 d . . . O2 O 0.62831(18) 0.83717(15) 0.33416(10) 0.0364(5) Uani 1 1 d . . . C1 C 0.1869(2) 0.84972(19) 0.26716(13) 0.0235(6) Uani 1 1 d . . . C2 C 0.1837(3) 0.7984(2) 0.32241(15) 0.0335(7) Uani 1 1 d . . . H2 H 0.2264 0.7430 0.3262 0.040 Uiso 1 1 calc . . . C3 C 0.1187(3) 0.8275(3) 0.37228(15) 0.0407(8) Uani 1 1 d . . . H3 H 0.1172 0.7918 0.4099 0.049 Uiso 1 1 calc . . . C4 C 0.0568(3) 0.9074(3) 0.36743(16) 0.0402(8) Uani 1 1 d . . . H4 H 0.0121 0.9266 0.4015 0.048 Uiso 1 1 calc . . . C5 C 0.0592(3) 0.9600(2) 0.31299(17) 0.0376(8) Uani 1 1 d . . . H5 H 0.0166 1.0155 0.3097 0.045 Uiso 1 1 calc . . . C6 C 0.1244(3) 0.9311(2) 0.26291(15) 0.0314(7) Uani 1 1 d . . . H6 H 0.1262 0.9674 0.2256 0.038 Uiso 1 1 calc . . . C7 C 0.1718(2) 0.7134(2) 0.17279(13) 0.0243(6) Uani 1 1 d . . . C8 C 0.2118(3) 0.6233(2) 0.16465(16) 0.0328(7) Uani 1 1 d . . . H8 H 0.2878 0.6111 0.1709 0.039 Uiso 1 1 calc . . . C9 C 0.1418(3) 0.5506(2) 0.14750(19) 0.0454(9) Uani 1 1 d . . . H9 H 0.1697 0.4890 0.1423 0.054 Uiso 1 1 calc . . . C10 C 0.0310(3) 0.5685(3) 0.1381(2) 0.0513(10) Uani 1 1 d . . . H10 H -0.0173 0.5193 0.1263 0.062 Uiso 1 1 calc . . . C11 C -0.0092(3) 0.6590(3) 0.14593(19) 0.0477(9) Uani 1 1 d . . . H11 H -0.0850 0.6715 0.1391 0.057 Uiso 1 1 calc . . . C12 C 0.0606(3) 0.7306(2) 0.16360(18) 0.0343(8) Uani 1 1 d . . . H12 H 0.0323 0.7919 0.1695 0.041 Uiso 1 1 calc . . . C13 C 0.2617(2) 0.9021(2) 0.14720(14) 0.0255(6) Uani 1 1 d . . . C14 C 0.1989(3) 0.9071(2) 0.09397(15) 0.0376(8) Uani 1 1 d . . . H14 H 0.1539 0.8556 0.0822 0.045 Uiso 1 1 calc . . . C15 C 0.2009(4) 0.9877(3) 0.05691(17) 0.0520(11) Uani 1 1 d . . . H15 H 0.1572 0.9908 0.0199 0.062 Uiso 1 1 calc . . . C16 C 0.2653(4) 1.0623(3) 0.07353(19) 0.0534(11) Uani 1 1 d . . . H16 H 0.2651 1.1173 0.0485 0.064 Uiso 1 1 calc . . . C17 C 0.3301(3) 1.0578(2) 0.12604(19) 0.0459(10) Uani 1 1 d . . . H17 H 0.3755 1.1094 0.1371 0.055 Uiso 1 1 calc . . . C18 C 0.3298(3) 0.9780(2) 0.16309(16) 0.0352(7) Uani 1 1 d . . . H18 H 0.3756 0.9746 0.1992 0.042 Uiso 1 1 calc . . . C19 C 0.4608(2) 0.79021(19) 0.05734(12) 0.0211(5) Uani 1 1 d . . . C20 C 0.3705(3) 0.7345(2) 0.03996(15) 0.0278(7) Uani 1 1 d . . . H20 H 0.3489 0.6841 0.0662 0.033 Uiso 1 1 calc . . . C21 C 0.3128(3) 0.7520(2) -0.01452(17) 0.0355(8) Uani 1 1 d . . . H21 H 0.2530 0.7127 -0.0261 0.043 Uiso 1 1 calc . . . C22 C 0.3416(3) 0.8259(2) -0.05220(15) 0.0384(8) Uani 1 1 d . . . H22 H 0.3007 0.8387 -0.0893 0.046 Uiso 1 1 calc . . . C23 C 0.4298(3) 0.8815(2) -0.03614(15) 0.0387(8) Uani 1 1 d . . . H23 H 0.4500 0.9324 -0.0624 0.046 Uiso 1 1 calc . . . C24 C 0.4895(3) 0.8637(2) 0.01813(14) 0.0295(7) Uani 1 1 d . . . H24 H 0.5506 0.9023 0.0286 0.035 Uiso 1 1 calc . . . C25 C 0.6459(2) 0.84526(19) 0.13358(13) 0.0221(6) Uani 1 1 d . . . C26 C 0.6357(3) 0.9227(2) 0.17352(14) 0.0281(6) Uani 1 1 d . . . H26 H 0.5716 0.9300 0.1983 0.034 Uiso 1 1 calc . . . C27 C 0.7194(3) 0.9886(2) 0.17673(16) 0.0378(8) Uani 1 1 d . . . H27 H 0.7117 1.0413 0.2035 0.045 Uiso 1 1 calc . . . C28 C 0.8131(3) 0.9787(2) 0.14176(16) 0.0385(8) Uani 1 1 d . . . H28 H 0.8696 1.0245 0.1439 0.046 Uiso 1 1 calc . . . C29 C 0.8245(3) 0.9011(2) 0.10318(15) 0.0346(7) Uani 1 1 d . . . H29 H 0.8898 0.8934 0.0795 0.042 Uiso 1 1 calc . . . C30 C 0.7423(2) 0.8351(2) 0.09874(14) 0.0280(6) Uani 1 1 d . . . H30 H 0.7512 0.7825 0.0719 0.034 Uiso 1 1 calc . . . C31 C 0.6070(2) 0.65252(18) 0.10669(13) 0.0202(6) Uani 1 1 d . . . C32 C 0.5986(2) 0.6119(2) 0.04766(13) 0.0266(6) Uani 1 1 d . . . H32 H 0.5525 0.6393 0.0166 0.032 Uiso 1 1 calc . . . C33 C 0.6576(3) 0.5314(2) 0.03400(15) 0.0353(8) Uani 1 1 d . . . H33 H 0.6515 0.5038 -0.0064 0.042 Uiso 1 1 calc . . . C34 C 0.7251(3) 0.4910(2) 0.07852(17) 0.0354(8) Uani 1 1 d . . . H34 H 0.7651 0.4358 0.0690 0.042 Uiso 1 1 calc . . . C35 C 0.7340(3) 0.5315(2) 0.13720(16) 0.0313(7) Uani 1 1 d . . . H35 H 0.7808 0.5043 0.1680 0.038 Uiso 1 1 calc . . . C36 C 0.6753(2) 0.6112(2) 0.15111(14) 0.0252(6) Uani 1 1 d . . . H36 H 0.6816 0.6383 0.1917 0.030 Uiso 1 1 calc . . . C37 C 0.4399(3) 0.7134(2) 0.31747(14) 0.0310(7) Uani 1 1 d . . . H37A H 0.4266 0.7665 0.3432 0.037 Uiso 1 1 calc . . . H37B H 0.3819 0.6709 0.3084 0.037 Uiso 1 1 calc . . . C38 C 0.5478(2) 0.6974(2) 0.29235(14) 0.0267(6) Uani 1 1 d . . . H38 H 0.5699 0.6303 0.2879 0.032 Uiso 1 1 calc . . . C39 C 0.6370(3) 0.7632(2) 0.30655(15) 0.0290(7) Uani 1 1 d . . . C40 C 0.8273(3) 0.7923(3) 0.29190(18) 0.0419(8) Uani 1 1 d . . . H40A H 0.8932 0.7614 0.2755 0.063 Uiso 1 1 calc . . . H40B H 0.8386 0.8077 0.3363 0.063 Uiso 1 1 calc . . . H40C H 0.8133 0.8498 0.2682 0.063 Uiso 1 1 calc . . . Cl1 Cl 0.87852(11) 0.64995(12) -0.02069(6) 0.0935(5) Uani 1 1 d . . . Cl2 Cl 1.01433(11) 0.81544(11) -0.02678(5) 0.0751(4) Uani 1 1 d . . . C41 C 1.0125(3) 0.6917(4) -0.02646(18) 0.0579(12) Uani 1 1 d . . . H41A H 1.0462 0.6680 -0.0655 0.069 Uiso 1 1 calc . . . H41B H 1.0566 0.6683 0.0094 0.069 Uiso 1 1 calc . . . 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 Pt 0.01962(6) 0.01720(6) 0.01740(6) 0.00027(4) 0.00184(4) 0.00011(4) P1 0.0212(3) 0.0173(3) 0.0219(3) -0.0004(3) 0.0029(3) 0.0017(3) P2 0.0203(3) 0.0172(3) 0.0184(3) -0.0008(3) 0.0022(3) -0.0001(3) O1 0.0247(12) 0.0347(12) 0.0380(13) -0.0038(9) -0.0038(10) -0.0001(9) O2 0.0361(13) 0.0346(12) 0.0387(13) -0.0125(10) 0.0026(10) -0.0036(10) C1 0.0220(14) 0.0216(14) 0.0269(14) -0.0060(11) 0.0045(11) 0.0002(11) C2 0.0329(17) 0.0325(17) 0.0353(18) 0.0011(14) 0.0116(14) 0.0056(14) C3 0.043(2) 0.051(2) 0.0284(17) 0.0020(16) 0.0124(15) 0.0051(17) C4 0.0351(19) 0.051(2) 0.0350(18) -0.0153(17) 0.0135(15) 0.0016(16) C5 0.0327(18) 0.0341(18) 0.046(2) -0.0116(16) 0.0077(15) 0.0069(14) C6 0.0290(16) 0.0304(16) 0.0348(17) 0.0005(13) 0.0051(13) 0.0057(13) C7 0.0260(15) 0.0227(14) 0.0241(15) -0.0018(12) 0.0009(12) 0.0000(12) C8 0.0301(17) 0.0225(15) 0.046(2) -0.0020(14) 0.0002(15) 0.0033(12) C9 0.047(2) 0.0233(16) 0.065(3) -0.0097(16) -0.0040(19) -0.0054(15) C10 0.041(2) 0.043(2) 0.069(3) -0.015(2) -0.0052(19) -0.0148(17) C11 0.0315(19) 0.051(2) 0.061(3) -0.0137(19) -0.0025(17) -0.0052(17) C12 0.0266(16) 0.0329(17) 0.043(2) -0.0066(14) -0.0036(14) 0.0008(13) C13 0.0297(16) 0.0199(13) 0.0270(15) 0.0037(12) 0.0085(12) 0.0093(12) C14 0.050(2) 0.0329(17) 0.0294(17) 0.0020(14) 0.0038(15) 0.0084(16) C15 0.074(3) 0.045(2) 0.037(2) 0.0150(17) 0.004(2) 0.019(2) C16 0.075(3) 0.0306(19) 0.055(3) 0.0197(18) 0.025(2) 0.0149(19) C17 0.053(2) 0.0213(16) 0.064(3) 0.0082(16) 0.023(2) 0.0034(15) C18 0.0322(17) 0.0264(15) 0.047(2) 0.0025(15) 0.0084(15) 0.0061(13) C19 0.0244(14) 0.0204(13) 0.0186(13) -0.0034(11) 0.0033(11) 0.0030(11) C20 0.0282(15) 0.0272(16) 0.0278(16) -0.0008(12) -0.0004(12) 0.0023(12) C21 0.0313(17) 0.0389(19) 0.0362(18) -0.0147(15) -0.0094(14) 0.0030(14) C22 0.049(2) 0.0405(19) 0.0259(16) -0.0048(14) -0.0115(15) 0.0133(16) C23 0.055(2) 0.0299(17) 0.0307(17) 0.0091(14) -0.0040(16) 0.0045(16) C24 0.0347(17) 0.0227(14) 0.0309(16) 0.0037(13) -0.0022(13) 0.0003(12) C25 0.0251(14) 0.0182(13) 0.0229(14) 0.0014(11) -0.0026(11) -0.0013(11) C26 0.0358(17) 0.0227(14) 0.0257(15) -0.0017(12) 0.0006(13) -0.0003(12) C27 0.056(2) 0.0250(16) 0.0320(17) -0.0068(14) -0.0029(16) -0.0112(15) C28 0.044(2) 0.0361(18) 0.0351(18) 0.0029(15) -0.0078(16) -0.0222(16) C29 0.0288(16) 0.0390(18) 0.0361(18) 0.0051(15) 0.0041(14) -0.0095(14) C30 0.0266(15) 0.0297(15) 0.0278(15) -0.0004(13) 0.0045(12) -0.0058(12) C31 0.0198(13) 0.0160(12) 0.0248(14) -0.0020(11) 0.0051(11) -0.0013(10) C32 0.0308(16) 0.0231(14) 0.0259(15) -0.0022(12) 0.0008(12) 0.0014(12) C33 0.042(2) 0.0290(16) 0.0349(18) -0.0108(14) 0.0066(15) 0.0035(14) C34 0.0337(18) 0.0211(15) 0.051(2) -0.0072(14) 0.0052(16) 0.0055(13) C35 0.0258(16) 0.0252(15) 0.0430(19) 0.0015(14) 0.0017(14) 0.0023(12) C36 0.0255(15) 0.0223(14) 0.0278(15) -0.0003(12) 0.0009(12) 0.0009(12) C37 0.0316(17) 0.0414(17) 0.0201(14) 0.0031(13) -0.0004(12) -0.0049(14) C38 0.0302(16) 0.0257(15) 0.0242(14) 0.0068(12) -0.0040(12) -0.0018(12) C39 0.0290(16) 0.0346(17) 0.0235(15) 0.0068(12) -0.0018(12) 0.0001(13) C40 0.0271(18) 0.049(2) 0.049(2) 0.0000(19) 0.0005(16) -0.0110(16) Cl1 0.0608(8) 0.1500(14) 0.0700(8) -0.0269(9) 0.0143(6) -0.0312(9) Cl2 0.0695(8) 0.1030(10) 0.0527(6) -0.0225(7) -0.0122(6) 0.0090(7) C41 0.034(2) 0.104(4) 0.036(2) -0.001(2) 0.0009(16) 0.000(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 Pt C37 2.099(3) . ? Pt C38 2.128(3) . ? Pt P1 2.2659(9) . ? Pt P2 2.2903(11) . ? P1 C13 1.826(3) . ? P1 C7 1.831(3) . ? P1 C1 1.840(3) . ? P2 C19 1.827(3) . ? P2 C25 1.830(3) . ? P2 C31 1.845(3) . ? O1 C39 1.347(4) . ? O1 C40 1.450(4) . ? O2 C39 1.214(3) . ? C1 C2 1.388(4) . ? C1 C6 1.391(4) . ? C2 C3 1.392(4) . ? C2 H2 0.9500 . ? C3 C4 1.371(5) . ? C3 H3 0.9500 . ? C4 C5 1.383(5) . ? C4 H4 0.9500 . ? C5 C6 1.396(4) . ? C5 H5 0.9500 . ? C6 H6 0.9500 . ? C7 C8 1.387(4) . ? C7 C12 1.387(4) . ? C8 C9 1.391(4) . ? C8 H8 0.9500 . ? C9 C10 1.384(5) . ? C9 H9 0.9500 . ? C10 C11 1.391(5) . ? C10 H10 0.9500 . ? C11 C12 1.380(5) . ? C11 H11 0.9500 . ? C12 H12 0.9500 . ? C13 C14 1.367(4) . ? C13 C18 1.403(4) . ? C14 C15 1.397(5) . ? C14 H14 0.9500 . ? C15 C16 1.367(6) . ? C15 H15 0.9500 . ? C16 C17 1.368(6) . ? C16 H16 0.9500 . ? C17 C18 1.387(4) . ? C17 H17 0.9500 . ? C18 H18 0.9500 . ? C19 C24 1.388(4) . ? C19 C20 1.404(4) . ? C20 C21 1.377(5) . ? C20 H20 0.9500 . ? C21 C22 1.374(5) . ? C21 H21 0.9500 . ? C22 C23 1.377(5) . ? C22 H22 0.9500 . ? C23 C24 1.386(4) . ? C23 H23 0.9500 . ? C24 H24 0.9500 . ? C25 C30 1.399(4) . ? C25 C26 1.401(4) . ? C26 C27 1.388(4) . ? C26 H26 0.9500 . ? C27 C28 1.371(5) . ? C27 H27 0.9500 . ? C28 C29 1.388(5) . ? C28 H28 0.9500 . ? C29 C30 1.376(4) . ? C29 H29 0.9500 . ? C30 H30 0.9500 . ? C31 C36 1.388(4) . ? C31 C32 1.389(4) . ? C32 C33 1.387(4) . ? C32 H32 0.9500 . ? C33 C34 1.377(5) . ? C33 H33 0.9500 . ? C34 C35 1.382(5) . ? C34 H34 0.9500 . ? C35 C36 1.377(4) . ? C35 H35 0.9500 . ? C36 H36 0.9500 . ? C37 C38 1.438(4) . ? C37 H37A 0.9500 . ? C37 H37B 0.9500 . ? C38 C39 1.466(4) . ? C38 H38 1.0000 . ? C40 H40A 0.9800 . ? C40 H40B 0.9800 . ? C40 H40C 0.9800 . ? Cl1 C41 1.740(4) . ? Cl2 C41 1.767(6) . ? C41 H41A 0.9900 . ? C41 H41B 0.9900 . ? 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 C37 Pt C38 39.76(12) . . ? C37 Pt P1 105.82(10) . . ? C38 Pt P1 145.55(9) . . ? C37 Pt P2 148.17(9) . . ? C38 Pt P2 108.41(8) . . ? P1 Pt P2 106.00(4) . . ? C13 P1 C7 108.08(15) . . ? C13 P1 C1 100.57(13) . . ? C7 P1 C1 99.65(13) . . ? C13 P1 Pt 114.68(10) . . ? C7 P1 Pt 114.19(10) . . ? C1 P1 Pt 117.81(10) . . ? C19 P2 C25 103.90(13) . . ? C19 P2 C31 101.80(12) . . ? C25 P2 C31 101.78(13) . . ? C19 P2 Pt 119.88(9) . . ? C25 P2 Pt 112.58(10) . . ? C31 P2 Pt 114.72(9) . . ? C39 O1 C40 116.0(3) . . ? C2 C1 C6 118.6(3) . . ? C2 C1 P1 118.3(2) . . ? C6 C1 P1 123.0(2) . . ? C1 C2 C3 120.6(3) . . ? C1 C2 H2 119.7 . . ? C3 C2 H2 119.7 . . ? C4 C3 C2 120.3(3) . . ? C4 C3 H3 119.8 . . ? C2 C3 H3 119.8 . . ? C3 C4 C5 120.1(3) . . ? C3 C4 H4 120.0 . . ? C5 C4 H4 120.0 . . ? C4 C5 C6 119.8(3) . . ? C4 C5 H5 120.1 . . ? C6 C5 H5 120.1 . . ? C1 C6 C5 120.6(3) . . ? C1 C6 H6 119.7 . . ? C5 C6 H6 119.7 . . ? C8 C7 C12 119.2(3) . . ? C8 C7 P1 117.9(2) . . ? C12 C7 P1 122.7(2) . . ? C7 C8 C9 120.8(3) . . ? C7 C8 H8 119.6 . . ? C9 C8 H8 119.6 . . ? C10 C9 C8 119.5(3) . . ? C10 C9 H9 120.2 . . ? C8 C9 H9 120.2 . . ? C9 C10 C11 119.8(3) . . ? C9 C10 H10 120.1 . . ? C11 C10 H10 120.1 . . ? C12 C11 C10 120.3(3) . . ? C12 C11 H11 119.9 . . ? C10 C11 H11 119.9 . . ? C11 C12 C7 120.3(3) . . ? C11 C12 H12 119.8 . . ? C7 C12 H12 119.8 . . ? C14 C13 C18 119.1(3) . . ? C14 C13 P1 125.7(2) . . ? C18 C13 P1 115.2(2) . . ? C13 C14 C15 120.1(3) . . ? C13 C14 H14 119.9 . . ? C15 C14 H14 119.9 . . ? C16 C15 C14 120.4(4) . . ? C16 C15 H15 119.8 . . ? C14 C15 H15 119.8 . . ? C15 C16 C17 120.2(3) . . ? C15 C16 H16 119.9 . . ? C17 C16 H16 119.9 . . ? C16 C17 C18 120.1(4) . . ? C16 C17 H17 120.0 . . ? C18 C17 H17 120.0 . . ? C17 C18 C13 120.0(3) . . ? C17 C18 H18 120.0 . . ? C13 C18 H18 120.0 . . ? C24 C19 C20 117.9(3) . . ? C24 C19 P2 124.4(2) . . ? C20 C19 P2 117.7(2) . . ? C21 C20 C19 121.0(3) . . ? C21 C20 H20 119.5 . . ? C19 C20 H20 119.5 . . ? C22 C21 C20 120.1(3) . . ? C22 C21 H21 119.9 . . ? C20 C21 H21 119.9 . . ? C21 C22 C23 119.9(3) . . ? C21 C22 H22 120.0 . . ? C23 C22 H22 120.0 . . ? C22 C23 C24 120.4(3) . . ? C22 C23 H23 119.8 . . ? C24 C23 H23 119.8 . . ? C23 C24 C19 120.7(3) . . ? C23 C24 H24 119.7 . . ? C19 C24 H24 119.7 . . ? C30 C25 C26 118.8(3) . . ? C30 C25 P2 122.3(2) . . ? C26 C25 P2 118.9(2) . . ? C27 C26 C25 119.9(3) . . ? C27 C26 H26 120.1 . . ? C25 C26 H26 120.1 . . ? C28 C27 C26 120.9(3) . . ? C28 C27 H27 119.5 . . ? C26 C27 H27 119.5 . . ? C27 C28 C29 119.3(3) . . ? C27 C28 H28 120.3 . . ? C29 C28 H28 120.3 . . ? C30 C29 C28 120.9(3) . . ? C30 C29 H29 119.5 . . ? C28 C29 H29 119.5 . . ? C29 C30 C25 120.1(3) . . ? C29 C30 H30 119.9 . . ? C25 C30 H30 119.9 . . ? C36 C31 C32 118.8(3) . . ? C36 C31 P2 117.4(2) . . ? C32 C31 P2 123.7(2) . . ? C33 C32 C31 120.0(3) . . ? C33 C32 H32 120.0 . . ? C31 C32 H32 120.0 . . ? C34 C33 C32 120.6(3) . . ? C34 C33 H33 119.7 . . ? C32 C33 H33 119.7 . . ? C33 C34 C35 119.5(3) . . ? C33 C34 H34 120.2 . . ? C35 C34 H34 120.2 . . ? C36 C35 C34 120.1(3) . . ? C36 C35 H35 119.9 . . ? C34 C35 H35 119.9 . . ? C35 C36 C31 120.9(3) . . ? C35 C36 H36 119.6 . . ? C31 C36 H36 119.6 . . ? C38 C37 Pt 71.23(17) . . ? C38 C37 H37A 120.0 . . ? Pt C37 H37A 111.4 . . ? C38 C37 H37B 120.0 . . ? Pt C37 H37B 87.6 . . ? H37A C37 H37B 120.0 . . ? C37 C38 C39 119.8(3) . . ? C37 C38 Pt 69.01(17) . . ? C39 C38 Pt 112.3(2) . . ? C37 C38 H38 115.8 . . ? C39 C38 H38 115.8 . . ? Pt C38 H38 115.8 . . ? O2 C39 O1 123.0(3) . . ? O2 C39 C38 126.3(3) . . ? O1 C39 C38 110.6(3) . . ? O1 C40 H40A 109.5 . . ? O1 C40 H40B 109.5 . . ? H40A C40 H40B 109.5 . . ? O1 C40 H40C 109.5 . . ? H40A C40 H40C 109.5 . . ? H40B C40 H40C 109.5 . . ? Cl1 C41 Cl2 110.8(2) . . ? Cl1 C41 H41A 109.5 . . ? Cl2 C41 H41A 109.5 . . ? Cl1 C41 H41B 109.5 . . ? Cl2 C41 H41B 109.5 . . ? H41A C41 H41B 108.1 . . ? 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 C37 Pt P1 C13 141.88(14) . . . . ? C38 Pt P1 C13 139.65(18) . . . . ? P2 Pt P1 C13 -37.50(11) . . . . ? C37 Pt P1 C7 -92.60(14) . . . . ? C38 Pt P1 C7 -94.83(18) . . . . ? P2 Pt P1 C7 88.02(11) . . . . ? C37 Pt P1 C1 23.81(14) . . . . ? C38 Pt P1 C1 21.57(18) . . . . ? P2 Pt P1 C1 -155.57(10) . . . . ? C37 Pt P2 C19 172.7(2) . . . . ? C38 Pt P2 C19 173.27(13) . . . . ? P1 Pt P2 C19 -8.43(11) . . . . ? C37 Pt P2 C25 -64.7(2) . . . . ? C38 Pt P2 C25 -64.11(13) . . . . ? P1 Pt P2 C25 114.19(10) . . . . ? C37 Pt P2 C31 51.1(2) . . . . ? C38 Pt P2 C31 51.67(13) . . . . ? P1 Pt P2 C31 -130.04(10) . . . . ? C13 P1 C1 C2 -171.8(3) . . . . ? C7 P1 C1 C2 77.6(3) . . . . ? Pt P1 C1 C2 -46.5(3) . . . . ? C13 P1 C1 C6 11.8(3) . . . . ? C7 P1 C1 C6 -98.8(3) . . . . ? Pt P1 C1 C6 137.2(2) . . . . ? C6 C1 C2 C3 0.5(5) . . . . ? P1 C1 C2 C3 -176.0(3) . . . . ? C1 C2 C3 C4 0.0(5) . . . . ? C2 C3 C4 C5 -0.5(6) . . . . ? C3 C4 C5 C6 0.4(5) . . . . ? C2 C1 C6 C5 -0.6(5) . . . . ? P1 C1 C6 C5 175.7(2) . . . . ? C4 C5 C6 C1 0.2(5) . . . . ? C13 P1 C7 C8 127.1(3) . . . . ? C1 P1 C7 C8 -128.4(3) . . . . ? Pt P1 C7 C8 -1.8(3) . . . . ? C13 P1 C7 C12 -57.7(3) . . . . ? C1 P1 C7 C12 46.8(3) . . . . ? Pt P1 C7 C12 173.3(3) . . . . ? C12 C7 C8 C9 0.0(5) . . . . ? P1 C7 C8 C9 175.3(3) . . . . ? C7 C8 C9 C10 0.4(6) . . . . ? C8 C9 C10 C11 -0.1(6) . . . . ? C9 C10 C11 C12 -0.6(7) . . . . ? C10 C11 C12 C7 1.0(6) . . . . ? C8 C7 C12 C11 -0.7(5) . . . . ? P1 C7 C12 C11 -175.8(3) . . . . ? C7 P1 C13 C14 -1.4(3) . . . . ? C1 P1 C13 C14 -105.3(3) . . . . ? Pt P1 C13 C14 127.2(3) . . . . ? C7 P1 C13 C18 179.1(2) . . . . ? C1 P1 C13 C18 75.2(2) . . . . ? Pt P1 C13 C18 -52.2(2) . . . . ? C18 C13 C14 C15 -1.5(5) . . . . ? P1 C13 C14 C15 179.1(3) . . . . ? C13 C14 C15 C16 -0.1(6) . . . . ? C14 C15 C16 C17 1.3(6) . . . . ? C15 C16 C17 C18 -0.8(6) . . . . ? C16 C17 C18 C13 -0.8(5) . . . . ? C14 C13 C18 C17 2.0(5) . . . . ? P1 C13 C18 C17 -178.5(2) . . . . ? C25 P2 C19 C24 -1.2(3) . . . . ? C31 P2 C19 C24 -106.7(3) . . . . ? Pt P2 C19 C24 125.6(2) . . . . ? C25 P2 C19 C20 178.1(2) . . . . ? C31 P2 C19 C20 72.6(2) . . . . ? Pt P2 C19 C20 -55.1(2) . . . . ? C24 C19 C20 C21 0.5(4) . . . . ? P2 C19 C20 C21 -178.9(2) . . . . ? C19 C20 C21 C22 -1.4(5) . . . . ? C20 C21 C22 C23 1.4(5) . . . . ? C21 C22 C23 C24 -0.4(5) . . . . ? C22 C23 C24 C19 -0.5(5) . . . . ? C20 C19 C24 C23 0.5(4) . . . . ? P2 C19 C24 C23 179.8(2) . . . . ? C19 P2 C25 C30 -79.6(3) . . . . ? C31 P2 C25 C30 25.9(3) . . . . ? Pt P2 C25 C30 149.2(2) . . . . ? C19 P2 C25 C26 101.4(2) . . . . ? C31 P2 C25 C26 -153.2(2) . . . . ? Pt P2 C25 C26 -29.9(3) . . . . ? C30 C25 C26 C27 1.5(4) . . . . ? P2 C25 C26 C27 -179.4(2) . . . . ? C25 C26 C27 C28 -0.7(5) . . . . ? C26 C27 C28 C29 -0.7(5) . . . . ? C27 C28 C29 C30 1.2(5) . . . . ? C28 C29 C30 C25 -0.4(5) . . . . ? C26 C25 C30 C29 -1.0(5) . . . . ? P2 C25 C30 C29 179.9(2) . . . . ? C19 P2 C31 C36 177.9(2) . . . . ? C25 P2 C31 C36 70.8(2) . . . . ? Pt P2 C31 C36 -51.1(2) . . . . ? C19 P2 C31 C32 -1.3(3) . . . . ? C25 P2 C31 C32 -108.4(2) . . . . ? Pt P2 C31 C32 129.7(2) . . . . ? C36 C31 C32 C33 0.1(4) . . . . ? P2 C31 C32 C33 179.3(2) . . . . ? C31 C32 C33 C34 -0.1(5) . . . . ? C32 C33 C34 C35 -0.2(5) . . . . ? C33 C34 C35 C36 0.5(5) . . . . ? C34 C35 C36 C31 -0.4(5) . . . . ? C32 C31 C36 C35 0.1(4) . . . . ? P2 C31 C36 C35 -179.1(2) . . . . ? P1 Pt C37 C38 -178.02(16) . . . . ? P2 Pt C37 C38 0.9(3) . . . . ? Pt C37 C38 C39 104.4(3) . . . . ? P1 Pt C38 C37 3.4(3) . . . . ? P2 Pt C38 C37 -179.53(16) . . . . ? C37 Pt C38 C39 -114.7(3) . . . . ? P1 Pt C38 C39 -111.3(2) . . . . ? P2 Pt C38 C39 65.8(2) . . . . ? C40 O1 C39 O2 -6.3(5) . . . . ? C40 O1 C39 C38 174.8(3) . . . . ? C37 C38 C39 O2 -6.7(5) . . . . ? Pt C38 C39 O2 71.1(4) . . . . ? C37 C38 C39 O1 172.2(3) . . . . ? Pt C38 C39 O1 -110.1(2) . . . . ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 30.04 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 1.608 _refine_diff_density_min -2.090 _refine_diff_density_rms 0.111 # Attachment 'Complex_5.cif' data_pt3x4 _database_code_depnum_ccdc_archive 'CCDC 717939' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C120 H100 Cl I7 P8 Pt6, 3(C H2 Cl2), C6 H5 Cl' _chemical_formula_sum 'C129 H111 Cl8 I7 P8 Pt6' _chemical_formula_weight 4251.38 _chemical_absolute_configuration ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Pt Pt -1.7033 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' C C 0.0033 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.1023 0.0000 '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' I I -0.4742 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.0000 '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' _symmetry_space_group_name_Hall '-P 1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 17.028(2) _cell_length_b 18.333(2) _cell_length_c 22.087(2) _cell_angle_alpha 82.66(5) _cell_angle_beta 74.61(5) _cell_angle_gamma 81.38(5) _cell_volume 6544.6(21) _cell_formula_units_Z 2 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 77372 _cell_measurement_theta_min 0.998 _cell_measurement_theta_max 30.034 _exptl_crystal_description prism _exptl_crystal_colour red _exptl_crystal_size_max 0.10 _exptl_crystal_size_mid 0.08 _exptl_crystal_size_min 0.08 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.157 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3960 _exptl_absorpt_coefficient_mu 8.348 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; The absorption was not corrected, small single crystals ; _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71070 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type KappaCCD _diffrn_measurement_method '\p scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 31118 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_sigmaI/netI 0.1203 _diffrn_reflns_limit_h_min -21 _diffrn_reflns_limit_h_max 22 _diffrn_reflns_limit_k_min -23 _diffrn_reflns_limit_k_max 24 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 29 _diffrn_reflns_theta_min 1.13 _diffrn_reflns_theta_max 27.88 _reflns_number_total 31118 _reflns_number_gt 20399 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Collect (Nonius B.V., 1998)' _computing_cell_refinement 'Denzo (Nonius B.V., 1998)' _computing_data_reduction 'Denzo (Nonius B.V., 1998)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'PLATON 98 (Spek, 1998)' _computing_publication_material 'SHELXL-97 (Sheldrick, 1997)' _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. The chlorobenzene solvent was refined isotropically. Anisotropic refinement tests give unrealistic values for the ellipsoid parameters, probably because of small disorders on this solvent group. ; # start Validation Reply Form _vrf_PLAT234_pt3x4 ; PROBLEM: Large Hirshfeld Difference C4 -- C5 .. 0.32 Ang. RESPONSE: due to a small disorder on one phenyl group (C1-C6). ; # end Validation Reply Form _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^)+(0.0900P)^2^+48.0000P] 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 31118 _refine_ls_number_parameters 1360 _refine_ls_number_restraints 3 _refine_ls_R_factor_all 0.1149 _refine_ls_R_factor_gt 0.0768 _refine_ls_wR_factor_ref 0.2310 _refine_ls_wR_factor_gt 0.2078 _refine_ls_goodness_of_fit_ref 1.149 _refine_ls_restrained_S_all 1.149 _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 -0.16702(3) 0.31973(3) 0.76343(3) 0.03134(14) Uani 1 1 d . . . Pt2 Pt 0.02861(3) 0.23668(3) 0.73624(2) 0.02898(13) Uani 1 1 d . . . Pt3 Pt 0.21089(3) 0.14296(3) 0.69962(2) 0.02560(12) Uani 1 1 d . . . Pt4 Pt -0.18296(3) -0.15631(3) 0.79279(2) 0.02658(13) Uani 1 1 d . . . Pt5 Pt 0.00638(3) -0.26929(3) 0.75816(2) 0.02690(13) Uani 1 1 d . . . Pt6 Pt 0.20119(3) -0.36123(3) 0.72820(2) 0.02893(13) Uani 1 1 d . . . I1 I -0.08666(8) 0.22900(8) 0.67642(6) 0.0601(3) Uani 1 1 d . . . I2 I 0.14144(8) 0.24449(7) 0.62503(5) 0.0522(3) Uani 1 1 d . . . I3 I -0.22492(13) 0.40420(14) 0.67735(11) 0.1093(7) Uani 1 1 d . . . I4 I -0.06964(6) -0.19369(6) 0.85689(5) 0.0404(2) Uani 1 1 d . . . I5 I 0.07966(7) -0.36800(6) 0.83327(4) 0.0452(3) Uani 1 1 d . . . I6 I 0.30356(12) -0.37630(11) 0.79950(9) 0.0891(5) Uani 1 1 d . . . X1A I 0.25287(19) 0.07035(18) 0.60993(15) 0.0693(7) Uiso 0.30 1 d P . . X1B Cl 0.25287(19) 0.07035(18) 0.60993(15) 0.0693(7) Uiso 0.70 1 d P . . X2A I -0.28302(17) -0.14386(16) 0.89972(13) 0.1032(8) Uiso 0.70 1 d P . . X2B Cl -0.28302(17) -0.14386(16) 0.89972(13) 0.1032(8) Uiso 0.30 1 d P . . P1 P -0.2602(2) 0.3829(2) 0.83586(19) 0.0378(9) Uani 1 1 d . . . P2 P -0.0806(2) 0.25315(19) 0.81931(17) 0.0291(7) Uani 1 1 d . . . P3 P 0.1406(2) 0.21698(19) 0.77589(15) 0.0267(7) Uani 1 1 d . . . P4 P 0.2936(2) 0.0659(2) 0.74948(15) 0.0264(7) Uani 1 1 d . . . P5 P -0.2840(2) -0.1076(2) 0.74511(16) 0.0283(7) Uani 1 1 d . . . P6 P -0.0782(2) -0.18888(19) 0.70880(15) 0.0265(7) Uani 1 1 d . . . P7 P 0.0919(2) -0.3375(2) 0.68284(16) 0.0308(8) Uani 1 1 d . . . P8 P 0.3029(2) -0.3594(2) 0.63940(17) 0.0307(7) Uani 1 1 d . . . C1 C -0.3605(11) 0.3841(10) 0.8180(9) 0.055(5) Uani 1 1 d . . . C2 C -0.4179(11) 0.4513(14) 0.8203(10) 0.079(8) Uani 1 1 d . . . H2 H -0.4055 0.4965 0.8302 0.094 Uiso 1 1 calc . . . C3 C -0.4915(14) 0.4456(18) 0.8071(14) 0.091(9) Uani 1 1 d . . . H3 H -0.5287 0.4897 0.8067 0.110 Uiso 1 1 calc . . . C4 C -0.5127(16) 0.391(3) 0.7963(14) 0.127(15) Uani 1 1 d . . . H4 H -0.5675 0.3909 0.7936 0.152 Uiso 1 1 calc . . . C5 C -0.4553(13) 0.3230(16) 0.7871(11) 0.080(7) Uani 1 1 d . . . H5 H -0.4691 0.2810 0.7729 0.095 Uiso 1 1 calc . . . C6 C -0.3807(10) 0.3225(11) 0.7997(10) 0.058(5) Uani 1 1 d . . . H6 H -0.3426 0.2788 0.7956 0.069 Uiso 1 1 calc . . . C7 C -0.2811(8) 0.3450(8) 0.9155(7) 0.037(3) Uani 1 1 d D . . C8 C -0.3339(13) 0.2944(11) 0.9400(8) 0.077(6) Uani 1 1 d D . . H8 H -0.3605 0.2797 0.9116 0.093 Uiso 1 1 calc . . . C9 C -0.3536(16) 0.2621(15) 0.9996(9) 0.106(11) Uani 1 1 d D . . H9 H -0.3918 0.2267 1.0118 0.128 Uiso 1 1 calc . . . C10 C -0.3170(16) 0.2820(13) 1.0411(9) 0.087(8) Uani 1 1 d D . . H10 H -0.3299 0.2609 1.0836 0.104 Uiso 1 1 calc . . . C11 C -0.2566(14) 0.3367(14) 1.0208(10) 0.074(6) Uani 1 1 d . . . H11 H -0.2280 0.3508 1.0482 0.089 Uiso 1 1 calc . . . C12 C -0.2456(11) 0.3657(11) 0.9575(9) 0.061(6) Uani 1 1 d . . . H12 H -0.2102 0.4032 0.9429 0.073 Uiso 1 1 calc . . . C13 C -0.2457(10) 0.4782(9) 0.8387(7) 0.041(4) Uani 1 1 d . . . C14 C -0.1788(10) 0.5079(9) 0.7935(8) 0.046(4) Uani 1 1 d . . . H14 H -0.1458 0.4793 0.7609 0.055 Uiso 1 1 calc . . . C15 C -0.1621(11) 0.5786(9) 0.7973(9) 0.054(5) Uani 1 1 d . . . H15 H -0.1174 0.5986 0.7675 0.065 Uiso 1 1 calc . . . C16 C -0.2092(15) 0.6188(10) 0.8434(10) 0.066(6) Uani 1 1 d . . . H16 H -0.1969 0.6669 0.8466 0.079 Uiso 1 1 calc . . . C17 C -0.2756(14) 0.5907(12) 0.8865(9) 0.065(6) Uani 1 1 d . . . H17 H -0.3100 0.6200 0.9181 0.079 Uiso 1 1 calc . . . C18 C -0.2910(12) 0.5213(10) 0.8831(9) 0.059(5) Uani 1 1 d . . . H18 H -0.3359 0.5023 0.9134 0.070 Uiso 1 1 calc . . . C19 C -0.1172(10) 0.1660(9) 0.8599(8) 0.041(4) Uani 1 1 d . . . C20 C -0.1718(11) 0.1627(9) 0.9192(8) 0.048(4) Uani 1 1 d . . . H20 H -0.1905 0.2061 0.9409 0.058 Uiso 1 1 calc . . . C21 C -0.1983(13) 0.0963(11) 0.9460(10) 0.062(5) Uani 1 1 d . . . H21 H -0.2351 0.0937 0.9868 0.074 Uiso 1 1 calc . . . C22 C -0.1732(16) 0.0353(14) 0.9158(15) 0.087(9) Uani 1 1 d . . . H22 H -0.1918 -0.0101 0.9360 0.105 Uiso 1 1 calc . . . C23 C -0.1232(14) 0.0359(11) 0.8588(13) 0.071(6) Uani 1 1 d . . . H23 H -0.1079 -0.0083 0.8381 0.085 Uiso 1 1 calc . . . C24 C -0.0934(10) 0.1006(9) 0.8295(9) 0.049(4) Uani 1 1 d . . . H24 H -0.0568 0.1010 0.7887 0.059 Uiso 1 1 calc . . . C25 C -0.0613(9) 0.3032(9) 0.8782(6) 0.035(3) Uani 1 1 d . . . C26 C -0.0496(10) 0.2717(9) 0.9354(8) 0.043(4) Uani 1 1 d . . . H26 H -0.0524 0.2202 0.9462 0.052 Uiso 1 1 calc . . . C27 C -0.0334(12) 0.3146(11) 0.9784(9) 0.054(5) Uani 1 1 d . . . H27 H -0.0241 0.2924 1.0176 0.065 Uiso 1 1 calc . . . C28 C -0.0314(12) 0.3919(14) 0.9616(9) 0.070(6) Uani 1 1 d . . . H28 H -0.0236 0.4220 0.9909 0.084 Uiso 1 1 calc . . . C29 C -0.0404(11) 0.4240(9) 0.9039(10) 0.053(5) Uani 1 1 d . . . H29 H -0.0366 0.4753 0.8923 0.064 Uiso 1 1 calc . . . C30 C -0.0553(10) 0.3794(9) 0.8628(8) 0.041(3) Uani 1 1 d . . . H30 H -0.0617 0.4012 0.8227 0.049 Uiso 1 1 calc . . . C31 C 0.1216(8) 0.1751(7) 0.8576(7) 0.031(3) Uani 1 1 d . . . C32 C 0.0754(9) 0.1155(8) 0.8724(7) 0.034(3) Uani 1 1 d . . . H32 H 0.0557 0.0994 0.8406 0.041 Uiso 1 1 calc . . . C33 C 0.0576(10) 0.0791(9) 0.9332(8) 0.044(4) Uani 1 1 d . . . H33 H 0.0265 0.0383 0.9422 0.052 Uiso 1 1 calc . . . C34 C 0.0843(11) 0.1016(10) 0.9793(7) 0.049(4) Uani 1 1 d . . . H34 H 0.0701 0.0788 1.0212 0.059 Uiso 1 1 calc . . . C35 C 0.1314(10) 0.1572(11) 0.9645(8) 0.052(5) Uani 1 1 d . . . H35 H 0.1514 0.1719 0.9968 0.062 Uiso 1 1 calc . . . C36 C 0.1526(10) 0.1945(9) 0.9042(7) 0.041(4) Uani 1 1 d . . . H36 H 0.1876 0.2323 0.8955 0.049 Uiso 1 1 calc . . . C37 C 0.1893(8) 0.3005(8) 0.7734(7) 0.034(3) Uani 1 1 d . . . C38 C 0.2608(10) 0.3131(9) 0.7253(7) 0.040(3) Uani 1 1 d . . . H38 H 0.2830 0.2786 0.6947 0.049 Uiso 1 1 calc . . . C39 C 0.2975(10) 0.3737(10) 0.7228(8) 0.049(4) Uani 1 1 d . . . H39 H 0.3451 0.3818 0.6900 0.059 Uiso 1 1 calc . . . C40 C 0.2677(12) 0.4244(10) 0.7667(10) 0.056(5) Uani 1 1 d . . . H40 H 0.2950 0.4664 0.7652 0.067 Uiso 1 1 calc . . . C41 C 0.1968(12) 0.4126(10) 0.8133(9) 0.052(4) Uani 1 1 d . . . H41 H 0.1744 0.4480 0.8430 0.063 Uiso 1 1 calc . . . C42 C 0.1589(10) 0.3522(9) 0.8173(8) 0.042(4) Uani 1 1 d . . . H42 H 0.1112 0.3450 0.8502 0.050 Uiso 1 1 calc . . . C43 C 0.3142(8) 0.0977(8) 0.8173(6) 0.029(3) Uani 1 1 d . . . C44 C 0.3089(10) 0.0536(9) 0.8746(7) 0.042(4) Uani 1 1 d . . . H44 H 0.2913 0.0061 0.8784 0.050 Uiso 1 1 calc . . . C45 C 0.3277(10) 0.0759(11) 0.9250(7) 0.048(4) Uani 1 1 d . . . H45 H 0.3229 0.0449 0.9634 0.057 Uiso 1 1 calc . . . C46 C 0.3547(10) 0.1468(12) 0.9185(7) 0.051(5) Uani 1 1 d . . . H46 H 0.3698 0.1630 0.9526 0.061 Uiso 1 1 calc . . . C47 C 0.3593(9) 0.1928(10) 0.8625(9) 0.046(4) Uani 1 1 d . . . H47 H 0.3754 0.2409 0.8585 0.056 Uiso 1 1 calc . . . C48 C 0.3396(9) 0.1661(9) 0.8121(7) 0.038(3) Uani 1 1 d . . . H48 H 0.3440 0.1964 0.7734 0.045 Uiso 1 1 calc . . . C49 C 0.2584(9) -0.0250(8) 0.7752(6) 0.032(3) Uani 1 1 d . . . C50 C 0.1753(10) -0.0333(9) 0.7874(7) 0.042(4) Uani 1 1 d . . . H50 H 0.1370 0.0079 0.7798 0.051 Uiso 1 1 calc . . . C51 C 0.1493(11) -0.1007(12) 0.8102(7) 0.055(5) Uani 1 1 d . . . H51 H 0.0922 -0.1046 0.8197 0.066 Uiso 1 1 calc . . . C52 C 0.2019(13) -0.1634(10) 0.8202(9) 0.057(5) Uani 1 1 d . . . H52 H 0.1837 -0.2107 0.8336 0.068 Uiso 1 1 calc . . . C53 C 0.2811(14) -0.1525(10) 0.8095(9) 0.059(5) Uani 1 1 d . . . H53 H 0.3184 -0.1942 0.8180 0.071 Uiso 1 1 calc . . . C54 C 0.3129(10) -0.0872(9) 0.7877(7) 0.041(4) Uani 1 1 d . . . H54 H 0.3697 -0.0839 0.7812 0.050 Uiso 1 1 calc . . . C55 C 0.3951(9) 0.0453(8) 0.6952(7) 0.034(3) Uani 1 1 d . . . C56 C 0.4106(9) -0.0145(8) 0.6555(7) 0.037(3) Uani 1 1 d . . . H56 H 0.3701 -0.0464 0.6593 0.044 Uiso 1 1 calc . . . C57 C 0.4837(10) -0.0244(9) 0.6129(8) 0.041(4) Uani 1 1 d . . . H57 H 0.4933 -0.0644 0.5874 0.049 Uiso 1 1 calc . . . C58 C 0.5439(10) 0.0188(9) 0.6041(7) 0.043(4) Uani 1 1 d . . . H58 H 0.5936 0.0099 0.5726 0.051 Uiso 1 1 calc . . . C59 C 0.5322(9) 0.0757(9) 0.6413(8) 0.045(4) Uani 1 1 d . . . H59 H 0.5754 0.1046 0.6376 0.054 Uiso 1 1 calc . . . C60 C 0.4552(10) 0.0917(9) 0.6857(7) 0.040(3) Uani 1 1 d . . . H60 H 0.4453 0.1340 0.7086 0.048 Uiso 1 1 calc . . . C61 C -0.3342(9) -0.0225(8) 0.7821(6) 0.031(3) Uani 1 1 d . . . C62 C -0.2871(9) 0.0197(9) 0.7997(8) 0.041(4) Uani 1 1 d . . . H62 H -0.2307 0.0027 0.7963 0.049 Uiso 1 1 calc . . . C63 C -0.3208(11) 0.0892(10) 0.8231(8) 0.049(4) Uani 1 1 d . . . H63 H -0.2862 0.1201 0.8323 0.059 Uiso 1 1 calc . . . C64 C -0.4009(12) 0.1111(11) 0.8323(8) 0.056(5) Uani 1 1 d . . . H64 H -0.4245 0.1562 0.8504 0.067 Uiso 1 1 calc . . . C65 C -0.4515(10) 0.0654(10) 0.8142(8) 0.048(4) Uani 1 1 d . . . H65 H -0.5088 0.0802 0.8206 0.058 Uiso 1 1 calc . . . C66 C -0.4160(9) -0.0014(9) 0.7869(8) 0.041(4) Uani 1 1 d . . . H66 H -0.4478 -0.0306 0.7725 0.050 Uiso 1 1 calc . . . C67 C -0.3624(9) -0.1688(8) 0.7555(7) 0.036(3) Uani 1 1 d . . . C68 C -0.4225(9) -0.1525(8) 0.7207(7) 0.035(3) Uani 1 1 d . . . H68 H -0.4213 -0.1104 0.6907 0.042 Uiso 1 1 calc . . . C69 C -0.4842(11) -0.1994(11) 0.7310(9) 0.054(4) Uani 1 1 d . . . H69 H -0.5252 -0.1885 0.7081 0.065 Uiso 1 1 calc . . . C70 C -0.4854(11) -0.2597(10) 0.7730(9) 0.053(4) Uani 1 1 d . . . H70 H -0.5272 -0.2908 0.7792 0.064 Uiso 1 1 calc . . . C71 C -0.4255(12) -0.2773(10) 0.8081(10) 0.058(5) Uani 1 1 d . . . H71 H -0.4268 -0.3200 0.8374 0.069 Uiso 1 1 calc . . . C72 C -0.3646(10) -0.2310(8) 0.7990(7) 0.040(4) Uani 1 1 d . . . H72 H -0.3245 -0.2420 0.8227 0.048 Uiso 1 1 calc . . . C73 C -0.2605(8) -0.0747(8) 0.6620(6) 0.030(3) Uani 1 1 d . . . C74 C -0.2569(10) -0.1213(9) 0.6160(7) 0.039(3) Uani 1 1 d . . . H74 H -0.2677 -0.1711 0.6284 0.046 Uiso 1 1 calc . . . C75 C -0.2368(9) -0.0953(9) 0.5496(7) 0.039(3) Uani 1 1 d . . . H75 H -0.2314 -0.1275 0.5179 0.046 Uiso 1 1 calc . . . C76 C -0.2259(9) -0.0212(9) 0.5348(7) 0.040(4) Uani 1 1 d . . . H76 H -0.2133 -0.0023 0.4917 0.048 Uiso 1 1 calc . . . C77 C -0.2328(9) 0.0268(8) 0.5808(7) 0.039(4) Uani 1 1 d . . . H77 H -0.2242 0.0772 0.5688 0.047 Uiso 1 1 calc . . . C78 C -0.2528(9) 0.0000(8) 0.6453(7) 0.036(3) Uani 1 1 d . . . H78 H -0.2608 0.0328 0.6769 0.043 Uiso 1 1 calc . . . C79 C -0.1125(9) -0.2339(8) 0.6528(7) 0.034(3) Uani 1 1 d . . . C80 C -0.1734(10) -0.2804(8) 0.6779(7) 0.040(3) Uani 1 1 d . . . H80 H -0.1948 -0.2858 0.7224 0.048 Uiso 1 1 calc . . . C81 C -0.2043(12) -0.3195(10) 0.6407(10) 0.059(5) Uani 1 1 d . . . H81 H -0.2475 -0.3490 0.6588 0.071 Uiso 1 1 calc . . . C82 C -0.1677(13) -0.3128(10) 0.5739(9) 0.055(5) Uani 1 1 d . . . H82 H -0.1848 -0.3395 0.5465 0.066 Uiso 1 1 calc . . . C83 C -0.1068(11) -0.2665(10) 0.5502(8) 0.046(4) Uani 1 1 d . . . H83 H -0.0843 -0.2602 0.5059 0.055 Uiso 1 1 calc . . . C84 C -0.0781(9) -0.2296(8) 0.5883(7) 0.037(3) Uani 1 1 d . . . H84 H -0.0342 -0.2007 0.5705 0.044 Uiso 1 1 calc . . . C85 C -0.0339(8) -0.1060(8) 0.6682(6) 0.028(3) Uani 1 1 d . . . C86 C 0.0207(10) -0.0799(9) 0.6914(7) 0.040(4) Uani 1 1 d . . . H86 H 0.0368 -0.1070 0.7267 0.048 Uiso 1 1 calc . . . C87 C 0.0551(10) -0.0137(10) 0.6656(9) 0.049(4) Uani 1 1 d . . . H87 H 0.0937 0.0034 0.6828 0.059 Uiso 1 1 calc . . . C88 C 0.0308(10) 0.0255(9) 0.6141(8) 0.045(4) Uani 1 1 d . . . H88 H 0.0526 0.0704 0.5963 0.054 Uiso 1 1 calc . . . C89 C -0.0248(10) 0.0002(9) 0.5884(8) 0.046(4) Uani 1 1 d . . . H89 H -0.0406 0.0267 0.5528 0.055 Uiso 1 1 calc . . . C90 C -0.0572(9) -0.0660(8) 0.6164(6) 0.034(3) Uani 1 1 d . . . H90 H -0.0959 -0.0837 0.5995 0.040 Uiso 1 1 calc . . . C91 C 0.0499(9) -0.4216(7) 0.6778(6) 0.033(3) Uani 1 1 d . . . C92 C -0.0070(10) -0.4206(8) 0.6440(8) 0.041(4) Uani 1 1 d . . . H92 H -0.0260 -0.3748 0.6239 0.050 Uiso 1 1 calc . . . C93 C -0.0381(11) -0.4852(9) 0.6381(10) 0.053(5) Uani 1 1 d . . . H93 H -0.0794 -0.4822 0.6159 0.064 Uiso 1 1 calc . . . C94 C -0.0099(11) -0.5521(10) 0.6639(10) 0.053(5) Uani 1 1 d . . . H94 H -0.0284 -0.5965 0.6581 0.064 Uiso 1 1 calc . . . C95 C 0.0477(11) -0.5530(8) 0.6996(8) 0.045(4) Uani 1 1 d . . . H95 H 0.0673 -0.5986 0.7194 0.053 Uiso 1 1 calc . . . C96 C 0.0750(10) -0.4909(10) 0.7059(7) 0.045(4) Uani 1 1 d . . . H96 H 0.1134 -0.4936 0.7306 0.053 Uiso 1 1 calc . . . C97 C 0.1097(9) -0.2915(8) 0.6031(7) 0.035(3) Uani 1 1 d . . . C98 C 0.1167(10) -0.3256(8) 0.5502(6) 0.038(3) Uani 1 1 d . . . H98 H 0.1137 -0.3773 0.5539 0.045 Uiso 1 1 calc . . . C99 C 0.1284(12) -0.2860(9) 0.4905(7) 0.048(4) Uani 1 1 d . . . H99 H 0.1313 -0.3102 0.4543 0.058 Uiso 1 1 calc . . . C100 C 0.1355(11) -0.2101(10) 0.4852(7) 0.049(4) Uani 1 1 d . . . H100 H 0.1433 -0.1824 0.4451 0.058 Uiso 1 1 calc . . . C101 C 0.1314(10) -0.1763(8) 0.5373(7) 0.037(3) Uani 1 1 d . . . H101 H 0.1369 -0.1250 0.5332 0.044 Uiso 1 1 calc . . . C102 C 0.1192(9) -0.2152(8) 0.5957(6) 0.032(3) Uani 1 1 d . . . H102 H 0.1172 -0.1907 0.6316 0.038 Uiso 1 1 calc . . . C103 C 0.2830(10) -0.4114(8) 0.5799(7) 0.043(4) Uani 1 1 d . . . C104 C 0.2508(11) -0.4767(8) 0.6030(8) 0.044(4) Uani 1 1 d . . . H104 H 0.2381 -0.4919 0.6469 0.053 Uiso 1 1 calc . . . C105 C 0.2372(17) -0.5213(13) 0.5590(10) 0.079(7) Uani 1 1 d . . . H105 H 0.2128 -0.5656 0.5745 0.094 Uiso 1 1 calc . . . C106 C 0.2576(16) -0.5027(14) 0.4960(10) 0.079(7) Uani 1 1 d . . . H106 H 0.2484 -0.5330 0.4673 0.095 Uiso 1 1 calc . . . C107 C 0.2921(14) -0.4386(13) 0.4754(9) 0.071(6) Uani 1 1 d . . . H107 H 0.3100 -0.4261 0.4312 0.085 Uiso 1 1 calc . . . C108 C 0.3023(12) -0.3907(11) 0.5158(8) 0.057(5) Uani 1 1 d . . . H108 H 0.3222 -0.3446 0.4997 0.069 Uiso 1 1 calc . . . C109 C 0.3173(9) -0.2649(8) 0.6075(6) 0.031(3) Uani 1 1 d . . . C110 C 0.3748(11) -0.2479(8) 0.5511(7) 0.042(4) Uani 1 1 d . . . H110 H 0.4081 -0.2866 0.5280 0.050 Uiso 1 1 calc . . . C111 C 0.3830(13) -0.1745(11) 0.5290(9) 0.059(5) Uani 1 1 d . . . H111 H 0.4213 -0.1629 0.4902 0.071 Uiso 1 1 calc . . . C112 C 0.3374(10) -0.1200(9) 0.5618(8) 0.041(4) Uani 1 1 d . . . H112 H 0.3424 -0.0701 0.5450 0.050 Uiso 1 1 calc . . . C113 C 0.2840(10) -0.1340(8) 0.6187(8) 0.041(4) Uani 1 1 d . . . H113 H 0.2539 -0.0943 0.6420 0.050 Uiso 1 1 calc . . . C114 C 0.2738(9) -0.2084(8) 0.6426(7) 0.038(3) Uani 1 1 d . . . H114 H 0.2374 -0.2191 0.6825 0.045 Uiso 1 1 calc . . . C115 C 0.4057(10) -0.4002(10) 0.6464(7) 0.047(4) Uani 1 1 d . . . C116 C 0.4342(12) -0.4743(11) 0.6374(12) 0.074(7) Uani 1 1 d . . . H116 H 0.3993 -0.5042 0.6273 0.088 Uiso 1 1 calc . . . C117 C 0.5089(13) -0.5049(12) 0.6423(12) 0.076(7) Uani 1 1 d . . . H117 H 0.5265 -0.5553 0.6345 0.091 Uiso 1 1 calc . . . C118 C 0.5598(13) -0.4649(14) 0.6584(10) 0.069(6) Uani 1 1 d . . . H118 H 0.6105 -0.4879 0.6660 0.083 Uiso 1 1 calc . . . C119 C 0.5362(13) -0.3883(14) 0.6635(12) 0.077(7) Uani 1 1 d . . . H119 H 0.5745 -0.3582 0.6684 0.092 Uiso 1 1 calc . . . C120 C 0.4559(14) -0.3560(13) 0.6614(12) 0.079(7) Uani 1 1 d . . . H120 H 0.4372 -0.3060 0.6700 0.095 Uiso 1 1 calc . . . Cl4 Cl -0.3126(5) 0.1901(4) 0.6781(3) 0.0880(18) Uani 1 1 d . . . Cl3 Cl -0.4366(5) 0.2802(4) 0.6237(3) 0.095(2) Uani 1 1 d . . . Cl8 Cl -0.4510(4) 0.0879(4) 0.9851(2) 0.0843(18) Uani 1 1 d . . . Cl7 Cl -0.4458(4) 0.1163(3) 1.1100(2) 0.0644(13) Uani 1 1 d . . . Cl6 Cl -0.3950(7) -0.2133(9) 0.5494(6) 0.186(6) Uani 1 1 d . . . Cl5 Cl -0.3944(8) -0.2846(12) 0.4448(7) 0.250(10) Uani 1 1 d . . . C121 C -0.327(2) 0.254(2) 0.6296(13) 0.155(19) Uani 1 1 d . . . H12A H -0.2927 0.2418 0.5877 0.186 Uiso 1 1 calc . . . H12B H -0.3077 0.2985 0.6399 0.186 Uiso 1 1 calc . . . C122 C -0.4990(13) 0.0780(17) 1.0664(8) 0.087(9) Uani 1 1 d . . . H12C H -0.5560 0.1029 1.0740 0.105 Uiso 1 1 calc . . . H12D H -0.5012 0.0248 1.0808 0.105 Uiso 1 1 calc . . . C123 C -0.3861(18) -0.197(2) 0.4665(17) 0.123(12) Uani 1 1 d . . . H12E H -0.4306 -0.1592 0.4574 0.148 Uiso 1 1 calc . . . H12F H -0.3325 -0.1798 0.4440 0.148 Uiso 1 1 calc . . . Cl1 Cl 0.4316(8) 0.3005(8) 0.9741(7) 0.209(7) Uani 1 1 d . . . C124 C 0.3276 0.3493 0.9559 0.128 Uiso 1 1 d . . . C125 C 0.2556 0.3195 0.9870 0.128 Uiso 1 1 d . . . H125 H 0.2571 0.2679 0.9997 0.154 Uiso 1 1 calc . . . C126 C 0.1813 0.3651 0.9993 0.128 Uiso 1 1 d . . . H126 H 0.1321 0.3447 1.0206 0.154 Uiso 1 1 calc . . . C127 C 0.1790 0.4406 0.9806 0.128 Uiso 1 1 d . . . H127 H 0.1282 0.4718 0.9891 0.154 Uiso 1 1 calc . . . C128 C 0.2510 0.4704 0.9496 0.128 Uiso 1 1 d . . . H128 H 0.2495 0.5220 0.9368 0.154 Uiso 1 1 calc . . . C129 C 0.3253 0.4248 0.9372 0.128 Uiso 1 1 d . . . H129 H 0.3745 0.4452 0.9160 0.154 Uiso 1 1 calc . . . 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 0.0269(3) 0.0330(3) 0.0353(3) 0.0062(2) -0.0153(2) -0.0018(2) Pt2 0.0325(3) 0.0301(3) 0.0259(2) -0.0008(2) -0.0153(2) 0.0043(2) Pt3 0.0246(3) 0.0310(3) 0.0203(2) 0.00181(19) -0.00796(19) 0.0002(2) Pt4 0.0235(3) 0.0303(3) 0.0233(2) 0.0045(2) -0.00657(19) 0.0003(2) Pt5 0.0258(3) 0.0294(3) 0.0208(2) 0.00529(19) -0.00439(19) 0.0023(2) Pt6 0.0321(3) 0.0283(3) 0.0217(2) 0.0016(2) -0.0046(2) 0.0039(2) I1 0.0614(8) 0.0734(9) 0.0570(7) -0.0196(6) -0.0394(6) 0.0122(6) I2 0.0577(7) 0.0627(7) 0.0304(5) 0.0049(5) -0.0161(5) 0.0122(6) I3 0.0962(14) 0.1307(18) 0.1074(15) -0.0015(13) -0.0461(12) -0.0043(12) I4 0.0391(5) 0.0472(6) 0.0334(5) -0.0028(4) -0.0130(4) 0.0054(4) I5 0.0454(6) 0.0534(6) 0.0246(4) 0.0083(4) -0.0043(4) 0.0144(5) I6 0.0966(13) 0.0872(12) 0.0824(11) -0.0085(9) -0.0230(10) -0.0057(10) P1 0.0260(18) 0.041(2) 0.0381(19) 0.0153(17) -0.0059(15) 0.0014(15) P2 0.0245(17) 0.0263(17) 0.0362(18) 0.0041(14) -0.0120(14) 0.0002(13) P3 0.0254(17) 0.0284(17) 0.0239(15) 0.0024(13) -0.0080(13) 0.0032(13) P4 0.0233(16) 0.0311(18) 0.0255(15) -0.0013(13) -0.0094(13) 0.0000(13) P5 0.0232(17) 0.0303(18) 0.0288(16) 0.0048(14) -0.0079(13) 0.0014(13) P6 0.0243(17) 0.0261(17) 0.0258(15) 0.0040(13) -0.0062(13) 0.0015(13) P7 0.0293(18) 0.0299(18) 0.0254(16) 0.0078(14) -0.0023(14) 0.0039(14) P8 0.0322(19) 0.0260(17) 0.0292(17) -0.0030(14) -0.0031(14) 0.0029(14) C1 0.043(10) 0.040(9) 0.062(11) 0.019(8) 0.003(8) 0.006(7) C2 0.030(9) 0.108(18) 0.073(13) 0.030(13) -0.008(9) 0.030(10) C3 0.036(12) 0.13(2) 0.11(2) 0.017(18) -0.036(13) -0.012(13) C4 0.048(15) 0.24(5) 0.10(2) 0.04(2) -0.053(15) -0.05(2) C5 0.044(12) 0.12(2) 0.073(14) 0.009(14) -0.023(11) -0.022(13) C6 0.028(8) 0.068(13) 0.070(12) 0.017(10) -0.010(8) -0.008(8) C7 0.033(8) 0.037(8) 0.039(8) 0.018(6) -0.009(6) -0.011(6) C8 0.078(16) 0.078(16) 0.071(14) 0.014(12) -0.017(12) -0.013(12) C9 0.13(2) 0.12(2) 0.074(16) 0.073(16) -0.038(16) -0.058(19) C10 0.11(2) 0.086(17) 0.042(11) 0.041(11) 0.001(12) -0.018(15) C11 0.063(13) 0.096(18) 0.058(12) -0.009(12) -0.022(11) 0.020(12) C12 0.039(9) 0.058(11) 0.054(10) 0.024(9) 0.014(8) 0.024(8) C13 0.042(9) 0.038(8) 0.035(7) 0.011(6) -0.004(7) 0.001(7) C14 0.041(9) 0.038(9) 0.048(9) 0.014(7) -0.008(7) 0.009(7) C15 0.049(10) 0.037(9) 0.056(10) 0.011(8) 0.009(8) 0.001(7) C16 0.098(17) 0.030(9) 0.065(12) 0.003(9) -0.019(12) 0.000(10) C17 0.087(15) 0.060(13) 0.040(9) -0.003(9) -0.003(10) 0.000(11) C18 0.056(11) 0.046(10) 0.052(10) 0.010(8) 0.010(9) 0.005(8) C19 0.046(9) 0.037(8) 0.049(9) 0.001(7) -0.032(8) -0.002(7) C20 0.055(11) 0.040(9) 0.052(10) 0.008(7) -0.022(8) -0.011(8) C21 0.069(13) 0.050(11) 0.070(12) 0.031(10) -0.034(11) -0.016(10) C22 0.076(16) 0.063(15) 0.14(2) 0.043(16) -0.070(17) -0.021(13) C23 0.065(14) 0.046(11) 0.115(19) 0.009(12) -0.058(14) -0.001(10) C24 0.038(9) 0.037(9) 0.076(12) -0.004(8) -0.027(9) 0.004(7) C25 0.029(7) 0.049(9) 0.027(7) -0.006(6) -0.014(6) 0.008(6) C26 0.037(8) 0.049(9) 0.042(8) -0.016(7) -0.010(7) 0.012(7) C27 0.058(11) 0.060(12) 0.052(10) -0.012(9) -0.033(9) 0.008(9) C28 0.051(11) 0.111(19) 0.053(11) -0.049(12) -0.017(9) 0.013(11) C29 0.045(10) 0.034(9) 0.074(12) -0.016(8) 0.000(9) -0.001(7) C30 0.034(8) 0.043(9) 0.044(8) -0.006(7) -0.009(7) 0.000(7) C31 0.029(7) 0.023(6) 0.038(7) 0.004(6) -0.012(6) 0.002(5) C32 0.038(8) 0.027(7) 0.034(7) 0.002(6) -0.015(6) 0.009(6) C33 0.044(9) 0.035(8) 0.043(8) 0.014(7) -0.005(7) -0.002(7) C34 0.050(10) 0.063(11) 0.025(7) 0.020(7) -0.010(7) 0.008(8) C35 0.035(9) 0.075(13) 0.040(8) 0.002(8) -0.017(7) 0.016(8) C36 0.049(9) 0.052(10) 0.025(7) -0.005(6) -0.018(7) 0.002(7) C37 0.028(7) 0.036(8) 0.038(7) 0.009(6) -0.015(6) -0.004(6) C38 0.038(8) 0.039(8) 0.043(8) 0.009(7) -0.013(7) -0.008(7) C39 0.040(9) 0.055(11) 0.056(10) 0.013(8) -0.022(8) -0.014(8) C40 0.057(11) 0.036(9) 0.084(14) 0.005(9) -0.039(11) -0.001(8) C41 0.055(11) 0.041(9) 0.071(12) 0.004(8) -0.039(10) -0.002(8) C42 0.042(9) 0.034(8) 0.056(9) -0.011(7) -0.023(8) -0.001(7) C43 0.024(7) 0.036(7) 0.025(6) 0.001(5) -0.010(5) 0.002(5) C44 0.036(8) 0.051(10) 0.034(7) 0.001(7) -0.008(6) 0.004(7) C45 0.039(9) 0.067(12) 0.036(8) -0.008(8) -0.016(7) 0.011(8) C46 0.038(9) 0.084(14) 0.035(8) -0.023(8) -0.023(7) 0.016(9) C47 0.024(7) 0.056(10) 0.065(11) -0.025(9) -0.018(7) 0.006(7) C48 0.027(7) 0.039(8) 0.044(8) -0.006(7) -0.012(6) 0.011(6) C49 0.037(8) 0.035(8) 0.031(7) 0.000(6) -0.019(6) -0.007(6) C50 0.041(9) 0.049(9) 0.039(8) -0.006(7) -0.009(7) -0.013(7) C51 0.052(11) 0.085(14) 0.031(8) -0.001(8) -0.003(7) -0.034(10) C52 0.069(13) 0.044(10) 0.052(10) 0.020(8) -0.012(9) -0.019(9) C53 0.086(15) 0.043(10) 0.052(10) 0.014(8) -0.038(10) -0.002(10) C54 0.043(9) 0.043(9) 0.045(8) -0.002(7) -0.023(7) -0.003(7) C55 0.035(8) 0.030(7) 0.042(8) 0.002(6) -0.020(6) -0.009(6) C56 0.028(7) 0.035(8) 0.049(9) -0.014(7) -0.009(6) -0.004(6) C57 0.036(8) 0.039(8) 0.051(9) -0.015(7) -0.021(7) 0.006(7) C58 0.037(8) 0.049(9) 0.031(7) -0.002(7) 0.004(6) 0.003(7) C59 0.029(8) 0.045(9) 0.058(10) 0.004(8) -0.006(7) -0.019(7) C60 0.045(9) 0.038(8) 0.037(8) -0.009(6) -0.005(7) -0.006(7) C61 0.037(8) 0.027(7) 0.027(6) 0.001(5) -0.013(6) 0.007(6) C62 0.035(8) 0.037(8) 0.056(9) -0.008(7) -0.021(7) -0.004(6) C63 0.054(11) 0.048(10) 0.052(10) -0.016(8) -0.025(8) 0.001(8) C64 0.065(12) 0.053(11) 0.046(9) -0.012(8) -0.016(9) 0.012(9) C65 0.041(9) 0.052(10) 0.039(8) 0.009(7) -0.004(7) 0.015(8) C66 0.022(7) 0.048(9) 0.048(9) 0.005(7) -0.005(6) -0.001(6) C67 0.030(7) 0.036(8) 0.039(8) 0.000(6) -0.009(6) -0.002(6) C68 0.029(7) 0.039(8) 0.041(8) -0.001(6) -0.013(6) -0.010(6) C69 0.036(9) 0.060(11) 0.069(12) -0.006(9) -0.020(9) -0.002(8) C70 0.049(10) 0.051(11) 0.070(12) -0.005(9) -0.027(9) -0.017(8) C71 0.056(11) 0.042(10) 0.068(12) 0.010(9) -0.007(9) -0.011(8) C72 0.040(8) 0.029(7) 0.048(9) 0.017(6) -0.011(7) -0.010(6) C73 0.025(7) 0.035(7) 0.032(7) -0.008(6) -0.012(5) 0.008(5) C74 0.045(9) 0.041(9) 0.029(7) 0.004(6) -0.014(6) 0.000(7) C75 0.034(8) 0.049(9) 0.035(7) -0.007(7) -0.015(6) 0.006(7) C76 0.033(8) 0.051(10) 0.033(7) 0.010(7) -0.013(6) -0.001(7) C77 0.033(8) 0.037(8) 0.046(8) 0.017(7) -0.017(7) -0.002(6) C78 0.031(7) 0.037(8) 0.040(8) 0.002(6) -0.012(6) 0.000(6) C79 0.034(8) 0.031(7) 0.040(8) 0.000(6) -0.016(6) -0.001(6) C80 0.044(9) 0.030(8) 0.042(8) 0.009(6) -0.012(7) -0.003(6) C81 0.061(12) 0.039(10) 0.092(15) 0.012(9) -0.049(11) -0.012(8) C82 0.070(13) 0.044(10) 0.062(11) -0.005(8) -0.041(10) 0.005(9) C83 0.054(10) 0.046(9) 0.042(9) 0.003(7) -0.026(8) -0.001(8) C84 0.040(8) 0.035(8) 0.041(8) -0.002(6) -0.022(7) 0.002(6) C85 0.026(7) 0.033(7) 0.022(6) 0.003(5) -0.008(5) -0.001(5) C86 0.047(9) 0.039(8) 0.031(7) 0.011(6) -0.007(7) -0.009(7) C87 0.040(9) 0.051(10) 0.062(11) -0.003(8) -0.019(8) -0.017(8) C88 0.045(9) 0.039(9) 0.055(10) 0.007(7) -0.015(8) -0.019(7) C89 0.048(9) 0.034(8) 0.042(8) 0.016(7) -0.004(7) 0.003(7) C90 0.041(8) 0.033(7) 0.021(6) 0.013(5) -0.010(6) 0.006(6) C91 0.038(8) 0.023(7) 0.032(7) 0.008(5) -0.005(6) 0.004(6) C92 0.037(8) 0.030(8) 0.051(9) 0.012(7) -0.008(7) -0.004(6) C93 0.054(11) 0.030(8) 0.083(13) 0.007(8) -0.033(10) -0.006(7) C94 0.041(9) 0.041(9) 0.078(13) 0.011(9) -0.017(9) -0.016(7) C95 0.053(10) 0.028(8) 0.042(8) 0.014(6) -0.001(7) -0.011(7) C96 0.040(9) 0.054(10) 0.031(7) 0.017(7) -0.009(6) 0.006(7) C97 0.034(8) 0.027(7) 0.032(7) 0.002(6) 0.010(6) -0.006(6) C98 0.060(10) 0.033(8) 0.021(6) 0.001(6) -0.013(6) -0.008(7) C99 0.075(12) 0.037(9) 0.032(8) -0.005(7) -0.004(8) -0.022(8) C100 0.064(11) 0.051(10) 0.024(7) 0.015(7) -0.010(7) -0.005(8) C101 0.048(9) 0.032(8) 0.032(7) 0.007(6) -0.013(6) -0.012(7) C102 0.030(7) 0.037(8) 0.029(6) -0.002(6) -0.007(6) -0.005(6) C103 0.052(10) 0.031(8) 0.035(8) -0.016(6) 0.008(7) 0.003(7) C104 0.051(10) 0.028(8) 0.050(9) 0.001(7) -0.014(8) 0.004(7) C105 0.12(2) 0.063(14) 0.058(12) -0.008(10) -0.016(13) -0.045(14) C106 0.101(19) 0.083(16) 0.054(12) -0.029(12) 0.003(12) -0.030(14) C107 0.081(15) 0.079(15) 0.038(9) -0.025(10) 0.019(10) -0.012(12) C108 0.056(11) 0.070(13) 0.037(9) 0.002(9) 0.002(8) -0.013(9) C109 0.034(7) 0.029(7) 0.029(6) 0.001(5) -0.009(6) 0.000(6) C110 0.054(10) 0.032(8) 0.034(7) -0.006(6) 0.002(7) -0.007(7) C111 0.073(13) 0.051(11) 0.046(10) -0.006(8) 0.009(9) -0.023(10) C112 0.045(9) 0.033(8) 0.052(9) 0.009(7) -0.028(8) -0.007(7) C113 0.040(9) 0.030(8) 0.061(10) -0.013(7) -0.023(8) 0.001(6) C114 0.037(8) 0.036(8) 0.042(8) -0.005(6) -0.015(7) -0.002(6) C115 0.036(8) 0.052(10) 0.040(8) -0.002(7) -0.004(7) 0.024(7) C116 0.045(11) 0.048(11) 0.109(18) 0.007(12) 0.009(11) -0.009(9) C117 0.055(12) 0.052(12) 0.110(18) 0.016(12) -0.027(13) 0.018(10) C118 0.049(11) 0.089(16) 0.065(12) -0.007(11) -0.026(10) 0.032(11) C119 0.053(12) 0.081(16) 0.103(18) -0.035(14) -0.032(12) 0.013(11) C120 0.065(14) 0.080(15) 0.101(18) -0.047(14) -0.043(13) 0.033(12) Cl4 0.105(5) 0.071(4) 0.090(4) -0.004(3) -0.028(4) -0.014(3) Cl3 0.135(6) 0.075(4) 0.080(4) -0.003(3) -0.040(4) -0.013(4) Cl8 0.106(5) 0.106(5) 0.044(3) 0.003(3) -0.019(3) -0.032(4) Cl7 0.086(4) 0.061(3) 0.047(2) 0.008(2) -0.017(2) -0.022(3) Cl6 0.120(8) 0.276(16) 0.187(12) -0.095(11) -0.023(8) -0.065(9) Cl5 0.134(10) 0.41(3) 0.225(15) -0.197(17) 0.017(10) -0.052(13) C121 0.14(3) 0.27(5) 0.085(18) 0.10(2) -0.070(19) -0.17(3) C122 0.049(12) 0.18(3) 0.027(9) 0.011(12) -0.003(8) -0.035(15) C123 0.08(2) 0.15(3) 0.12(3) -0.02(2) 0.025(18) -0.04(2) Cl1 0.166(11) 0.180(12) 0.242(15) -0.093(11) 0.061(10) -0.038(9) _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 P1 2.235(4) . ? Pt1 P2 2.284(4) . ? Pt1 I3 2.602(2) . ? Pt1 I1 2.659(2) . ? Pt2 P2 2.254(4) . ? Pt2 P3 2.265(3) . ? Pt2 I1 2.6694(15) . ? Pt2 I2 2.6896(19) . ? Pt3 P4 2.241(3) . ? Pt3 P3 2.267(4) . ? Pt3 X1A 2.417(3) . ? Pt3 X1B 2.417(3) . ? Pt3 I2 2.6773(18) . ? Pt4 P5 2.264(3) . ? Pt4 P6 2.278(4) . ? Pt4 X2A 2.533(3) . ? Pt4 X2B 2.533(3) . ? Pt4 I4 2.6463(15) . ? Pt5 P7 2.270(4) . ? Pt5 P6 2.285(3) . ? Pt5 I4 2.6623(18) . ? Pt5 I5 2.6906(17) . ? Pt6 P8 2.246(4) . ? Pt6 P7 2.300(4) . ? Pt6 I6 2.607(2) . ? Pt6 I5 2.6716(19) . ? P1 C7 1.770(14) . ? P1 C13 1.811(17) . ? P1 C1 1.85(2) . ? P2 C25 1.808(15) . ? P2 C19 1.839(16) . ? P3 C31 1.833(14) . ? P3 C37 1.836(15) . ? P4 C43 1.808(14) . ? P4 C49 1.827(14) . ? P4 C55 1.840(16) . ? P5 C73 1.816(14) . ? P5 C67 1.820(15) . ? P5 C61 1.841(14) . ? P6 C85 1.821(14) . ? P6 C79 1.828(15) . ? P7 C97 1.822(14) . ? P7 C91 1.822(15) . ? P8 C109 1.812(14) . ? P8 C115 1.836(15) . ? P8 C103 1.845(16) . ? C1 C6 1.37(3) . ? C1 C2 1.45(2) . ? C2 C3 1.38(3) . ? C2 H2 0.9500 . ? C3 C4 1.19(5) . ? C3 H3 0.9500 . ? C4 C5 1.46(5) . ? C4 H4 0.9500 . ? C5 C6 1.37(3) . ? C5 H5 0.9500 . ? C6 H6 0.9500 . ? C7 C8 1.35(3) . ? C7 C12 1.35(3) . ? C8 C9 1.35(3) . ? C8 H8 0.9500 . ? C9 C10 1.35(3) . ? C9 H9 0.9500 . ? C10 C11 1.49(3) . ? C10 H10 0.9500 . ? C11 C12 1.41(3) . ? C11 H11 0.9500 . ? C12 H12 0.9500 . ? C13 C18 1.34(2) . ? C13 C14 1.43(2) . ? C14 C15 1.39(2) . ? C14 H14 0.9500 . ? C15 C16 1.34(3) . ? C15 H15 0.9500 . ? C16 C17 1.39(3) . ? C16 H16 0.9500 . ? C17 C18 1.35(3) . ? C17 H17 0.9500 . ? C18 H18 0.9500 . ? C19 C20 1.39(2) . ? C19 C24 1.40(2) . ? C20 C21 1.37(2) . ? C20 H20 0.9500 . ? C21 C22 1.33(4) . ? C21 H21 0.9500 . ? C22 C23 1.32(4) . ? C22 H22 0.9500 . ? C23 C24 1.38(3) . ? C23 H23 0.9500 . ? C24 H24 0.9500 . ? C25 C26 1.37(2) . ? C25 C30 1.41(2) . ? C26 C27 1.41(2) . ? C26 H26 0.9500 . ? C27 C28 1.42(3) . ? C27 H27 0.9500 . ? C28 C29 1.37(3) . ? C28 H28 0.9500 . ? C29 C30 1.39(2) . ? C29 H29 0.9500 . ? C30 H30 0.9500 . ? C31 C36 1.38(2) . ? C31 C32 1.40(2) . ? C32 C33 1.40(2) . ? C32 H32 0.9500 . ? C33 C34 1.35(2) . ? C33 H33 0.9500 . ? C34 C35 1.34(3) . ? C34 H34 0.9500 . ? C35 C36 1.40(2) . ? C35 H35 0.9500 . ? C36 H36 0.9500 . ? C37 C42 1.39(2) . ? C37 C38 1.41(2) . ? C38 C39 1.34(2) . ? C38 H38 0.9500 . ? C39 C40 1.37(3) . ? C39 H39 0.9500 . ? C40 C41 1.39(3) . ? C40 H40 0.9500 . ? C41 C42 1.34(2) . ? C41 H41 0.9500 . ? C42 H42 0.9500 . ? C43 C48 1.37(2) . ? C43 C44 1.400(19) . ? C44 C45 1.36(2) . ? C44 H44 0.9500 . ? C45 C46 1.42(3) . ? C45 H45 0.9500 . ? C46 C47 1.40(3) . ? C46 H46 0.9500 . ? C47 C48 1.41(2) . ? C47 H47 0.9500 . ? C48 H48 0.9500 . ? C49 C50 1.40(2) . ? C49 C54 1.40(2) . ? C50 C51 1.36(2) . ? C50 H50 0.9500 . ? C51 C52 1.38(3) . ? C51 H51 0.9500 . ? C52 C53 1.35(3) . ? C52 H52 0.9500 . ? C53 C54 1.37(2) . ? C53 H53 0.9500 . ? C54 H54 0.9500 . ? C55 C60 1.38(2) . ? C55 C56 1.44(2) . ? C56 C57 1.35(2) . ? C56 H56 0.9500 . ? C57 C58 1.35(2) . ? C57 H57 0.9500 . ? C58 C59 1.37(2) . ? C58 H58 0.9500 . ? C59 C60 1.43(2) . ? C59 H59 0.9500 . ? C60 H60 0.9500 . ? C61 C62 1.35(2) . ? C61 C66 1.37(2) . ? C62 C63 1.42(2) . ? C62 H62 0.9500 . ? C63 C64 1.33(3) . ? C63 H63 0.9500 . ? C64 C65 1.44(3) . ? C64 H64 0.9500 . ? C65 C66 1.41(2) . ? C65 H65 0.9500 . ? C66 H66 0.9500 . ? C67 C72 1.392(19) . ? C67 C68 1.41(2) . ? C68 C69 1.41(2) . ? C68 H68 0.9500 . ? C69 C70 1.35(3) . ? C69 H69 0.9500 . ? C70 C71 1.41(3) . ? C70 H70 0.9500 . ? C71 C72 1.39(2) . ? C71 H71 0.9500 . ? C72 H72 0.9500 . ? C73 C78 1.39(2) . ? C73 C74 1.39(2) . ? C74 C75 1.45(2) . ? C74 H74 0.9500 . ? C75 C76 1.38(2) . ? C75 H75 0.9500 . ? C76 C77 1.40(2) . ? C76 H76 0.9500 . ? C77 C78 1.41(2) . ? C77 H77 0.9500 . ? C78 H78 0.9500 . ? C79 C84 1.39(2) . ? C79 C80 1.40(2) . ? C80 C81 1.40(2) . ? C80 H80 0.9500 . ? C81 C82 1.44(3) . ? C81 H81 0.9500 . ? C82 C83 1.39(3) . ? C82 H82 0.9500 . ? C83 C84 1.37(2) . ? C83 H83 0.9500 . ? C84 H84 0.9500 . ? C85 C86 1.34(2) . ? C85 C90 1.395(16) . ? C86 C87 1.41(2) . ? C86 H86 0.9500 . ? C87 C88 1.39(2) . ? C87 H87 0.9500 . ? C88 C89 1.38(2) . ? C88 H88 0.9500 . ? C89 C90 1.41(2) . ? C89 H89 0.9500 . ? C90 H90 0.9500 . ? C91 C92 1.37(2) . ? C91 C96 1.399(19) . ? C92 C93 1.40(2) . ? C92 H92 0.9500 . ? C93 C94 1.36(2) . ? C93 H93 0.9500 . ? C94 C95 1.41(3) . ? C94 H94 0.9500 . ? C95 C96 1.33(2) . ? C95 H95 0.9500 . ? C96 H96 0.9500 . ? C97 C98 1.36(2) . ? C97 C102 1.42(2) . ? C98 C99 1.40(2) . ? C98 H98 0.9500 . ? C99 C100 1.40(2) . ? C99 H99 0.9500 . ? C100 C101 1.35(2) . ? C100 H100 0.9500 . ? C101 C102 1.373(18) . ? C101 H101 0.9500 . ? C102 H102 0.9500 . ? C103 C104 1.37(2) . ? C103 C108 1.38(2) . ? C104 C105 1.43(3) . ? C104 H104 0.9500 . ? C105 C106 1.35(3) . ? C105 H105 0.9500 . ? C106 C107 1.36(3) . ? C106 H106 0.9500 . ? C107 C108 1.39(3) . ? C107 H107 0.9500 . ? C108 H108 0.9500 . ? C109 C114 1.38(2) . ? C109 C110 1.40(2) . ? C110 C111 1.39(2) . ? C110 H110 0.9500 . ? C111 C112 1.33(3) . ? C111 H111 0.9500 . ? C112 C113 1.36(2) . ? C112 H112 0.9500 . ? C113 C114 1.42(2) . ? C113 H113 0.9500 . ? C114 H114 0.9500 . ? C115 C120 1.39(3) . ? C115 C116 1.39(3) . ? C116 C117 1.34(3) . ? C116 H116 0.9500 . ? C117 C118 1.35(3) . ? C117 H117 0.9500 . ? C118 C119 1.41(3) . ? C118 H118 0.9500 . ? C119 C120 1.42(3) . ? C119 H119 0.9500 . ? C120 H120 0.9500 . ? Cl4 C121 1.53(3) . ? Cl3 C121 1.89(3) . ? Cl8 C122 1.764(18) . ? Cl7 C122 1.75(2) . ? Cl6 C123 1.79(4) . ? Cl5 C123 1.77(4) . ? C121 H12A 0.9900 . ? C121 H12B 0.9900 . ? C122 H12C 0.9900 . ? C122 H12D 0.9900 . ? C123 H12E 0.9900 . ? C123 H12F 0.9900 . ? Cl1 C124 1.978(17) . ? C124 C125 1.3900 . ? C124 C129 1.3900 . ? C125 C126 1.3900 . ? C125 H125 0.9500 . ? C126 C127 1.3900 . ? C126 H126 0.9500 . ? C127 C128 1.3900 . ? C127 H127 0.9500 . ? C128 C129 1.3900 . ? C128 H128 0.9500 . ? C129 H129 0.9500 . ? 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 P1 Pt1 P2 103.48(14) . . ? P1 Pt1 I3 88.08(11) . . ? P2 Pt1 I3 163.21(11) . . ? P1 Pt1 I1 166.30(12) . . ? P2 Pt1 I1 82.53(10) . . ? I3 Pt1 I1 88.93(7) . . ? P2 Pt2 P3 106.12(12) . . ? P2 Pt2 I1 82.86(10) . . ? P3 Pt2 I1 165.80(10) . . ? P2 Pt2 I2 166.89(9) . . ? P3 Pt2 I2 83.11(9) . . ? I1 Pt2 I2 90.02(5) . . ? P4 Pt3 P3 101.82(12) . . ? P4 Pt3 X1A 90.94(12) . . ? P3 Pt3 X1A 165.10(11) . . ? P4 Pt3 X1B 90.94(12) . . ? P3 Pt3 X1B 165.10(11) . . ? X1A Pt3 X1B 0.00(18) . . ? P4 Pt3 I2 167.97(10) . . ? P3 Pt3 I2 83.36(9) . . ? X1A Pt3 I2 85.62(9) . . ? X1B Pt3 I2 85.62(9) . . ? P5 Pt4 P6 101.63(13) . . ? P5 Pt4 X2A 90.02(12) . . ? P6 Pt4 X2A 166.93(11) . . ? P5 Pt4 X2B 90.02(12) . . ? P6 Pt4 X2B 166.93(11) . . ? X2A Pt4 X2B 0.00(12) . . ? P5 Pt4 I4 171.08(10) . . ? P6 Pt4 I4 83.86(9) . . ? X2A Pt4 I4 85.34(7) . . ? X2B Pt4 I4 85.34(7) . . ? P7 Pt5 P6 106.35(13) . . ? P7 Pt5 I4 168.87(10) . . ? P6 Pt5 I4 83.36(10) . . ? P7 Pt5 I5 81.51(9) . . ? P6 Pt5 I5 169.13(9) . . ? I4 Pt5 I5 89.63(5) . . ? P8 Pt6 P7 98.27(13) . . ? P8 Pt6 I6 92.46(11) . . ? P7 Pt6 I6 168.16(10) . . ? P8 Pt6 I5 178.09(10) . . ? P7 Pt6 I5 81.39(9) . . ? I6 Pt6 I5 88.06(5) . . ? Pt1 I1 Pt2 78.75(5) . . ? Pt3 I2 Pt2 74.96(5) . . ? Pt4 I4 Pt5 82.96(5) . . ? Pt6 I5 Pt5 79.38(5) . . ? C7 P1 C13 104.7(7) . . ? C7 P1 C1 101.3(7) . . ? C13 P1 C1 107.3(8) . . ? C7 P1 Pt1 118.8(5) . . ? C13 P1 Pt1 116.5(5) . . ? C1 P1 Pt1 106.7(7) . . ? C25 P2 C19 106.9(7) . . ? C25 P2 Pt2 113.0(5) . . ? C19 P2 Pt2 113.5(6) . . ? C25 P2 Pt1 113.8(5) . . ? C19 P2 Pt1 113.3(5) . . ? Pt2 P2 Pt1 96.31(14) . . ? C31 P3 C37 106.4(6) . . ? C31 P3 Pt2 114.3(5) . . ? C37 P3 Pt2 114.3(4) . . ? C31 P3 Pt3 117.0(5) . . ? C37 P3 Pt3 112.5(5) . . ? Pt2 P3 Pt3 92.20(13) . . ? C43 P4 C49 106.4(6) . . ? C43 P4 C55 105.1(6) . . ? C49 P4 C55 103.9(7) . . ? C43 P4 Pt3 117.1(5) . . ? C49 P4 Pt3 113.2(4) . . ? C55 P4 Pt3 110.2(5) . . ? C73 P5 C67 105.2(7) . . ? C73 P5 C61 101.8(6) . . ? C67 P5 C61 107.4(7) . . ? C73 P5 Pt4 121.0(4) . . ? C67 P5 Pt4 113.0(5) . . ? C61 P5 Pt4 107.2(4) . . ? C85 P6 C79 108.6(6) . . ? C85 P6 Pt4 109.0(5) . . ? C79 P6 Pt4 112.1(5) . . ? C85 P6 Pt5 114.4(4) . . ? C79 P6 Pt5 111.7(5) . . ? Pt4 P6 Pt5 100.82(13) . . ? C97 P7 C91 104.3(7) . . ? C97 P7 Pt5 114.8(5) . . ? C91 P7 Pt5 111.1(5) . . ? C97 P7 Pt6 117.6(5) . . ? C91 P7 Pt6 112.3(5) . . ? Pt5 P7 Pt6 97.08(15) . . ? C109 P8 C115 103.3(8) . . ? C109 P8 C103 110.3(7) . . ? C115 P8 C103 103.8(8) . . ? C109 P8 Pt6 110.5(5) . . ? C115 P8 Pt6 116.9(5) . . ? C103 P8 Pt6 111.5(5) . . ? C6 C1 C2 118(2) . . ? C6 C1 P1 120.7(13) . . ? C2 C1 P1 120.8(17) . . ? C3 C2 C1 116(3) . . ? C3 C2 H2 122.0 . . ? C1 C2 H2 122.0 . . ? C4 C3 C2 126(3) . . ? C4 C3 H3 116.9 . . ? C2 C3 H3 116.9 . . ? C3 C4 C5 121(2) . . ? C3 C4 H4 119.7 . . ? C5 C4 H4 119.7 . . ? C6 C5 C4 117(2) . . ? C6 C5 H5 121.3 . . ? C4 C5 H5 121.3 . . ? C1 C6 C5 121(2) . . ? C1 C6 H6 119.6 . . ? C5 C6 H6 119.6 . . ? C8 C7 C12 114.2(15) . . ? C8 C7 P1 123.9(12) . . ? C12 C7 P1 121.9(11) . . ? C7 C8 C9 128.4(18) . . ? C7 C8 H8 115.8 . . ? C9 C8 H8 115.8 . . ? C10 C9 C8 117.2(18) . . ? C10 C9 H9 121.4 . . ? C8 C9 H9 121.4 . . ? C9 C10 C11 120.6(17) . . ? C9 C10 H10 119.7 . . ? C11 C10 H10 119.7 . . ? C12 C11 C10 114(2) . . ? C12 C11 H11 123.0 . . ? C10 C11 H11 123.0 . . ? C7 C12 C11 126(2) . . ? C7 C12 H12 117.2 . . ? C11 C12 H12 117.2 . . ? C18 C13 C14 117.6(16) . . ? C18 C13 P1 123.9(13) . . ? C14 C13 P1 118.3(12) . . ? C15 C14 C13 119.9(16) . . ? C15 C14 H14 120.1 . . ? C13 C14 H14 120.1 . . ? C16 C15 C14 119.7(16) . . ? C16 C15 H15 120.1 . . ? C14 C15 H15 120.1 . . ? C15 C16 C17 120.5(18) . . ? C15 C16 H16 119.7 . . ? C17 C16 H16 119.7 . . ? C18 C17 C16 119.5(18) . . ? C18 C17 H17 120.3 . . ? C16 C17 H17 120.3 . . ? C13 C18 C17 122.8(17) . . ? C13 C18 H18 118.6 . . ? C17 C18 H18 118.6 . . ? C20 C19 C24 117.8(16) . . ? C20 C19 P2 122.3(13) . . ? C24 C19 P2 119.8(14) . . ? C21 C20 C19 119.2(18) . . ? C21 C20 H20 120.4 . . ? C19 C20 H20 120.4 . . ? C22 C21 C20 121(2) . . ? C22 C21 H21 119.5 . . ? C20 C21 H21 119.5 . . ? C23 C22 C21 122(2) . . ? C23 C22 H22 118.9 . . ? C21 C22 H22 118.9 . . ? C22 C23 C24 120(2) . . ? C22 C23 H23 120.1 . . ? C24 C23 H23 120.1 . . ? C23 C24 C19 120(2) . . ? C23 C24 H24 120.0 . . ? C19 C24 H24 120.0 . . ? C26 C25 C30 118.4(14) . . ? C26 C25 P2 124.6(13) . . ? C30 C25 P2 117.0(11) . . ? C25 C26 C27 121.1(16) . . ? C25 C26 H26 119.5 . . ? C27 C26 H26 119.5 . . ? C26 C27 C28 118.2(16) . . ? C26 C27 H27 120.9 . . ? C28 C27 H27 120.9 . . ? C29 C28 C27 121.5(17) . . ? C29 C28 H28 119.2 . . ? C27 C28 H28 119.2 . . ? C28 C29 C30 118.2(17) . . ? C28 C29 H29 120.9 . . ? C30 C29 H29 120.9 . . ? C29 C30 C25 122.5(15) . . ? C29 C30 H30 118.7 . . ? C25 C30 H30 118.7 . . ? C36 C31 C32 117.6(13) . . ? C36 C31 P3 125.8(11) . . ? C32 C31 P3 116.4(11) . . ? C31 C32 C33 121.3(14) . . ? C31 C32 H32 119.3 . . ? C33 C32 H32 119.3 . . ? C34 C33 C32 120.3(15) . . ? C34 C33 H33 119.9 . . ? C32 C33 H33 119.9 . . ? C35 C34 C33 118.4(14) . . ? C35 C34 H34 120.8 . . ? C33 C34 H34 120.8 . . ? C34 C35 C36 123.6(16) . . ? C34 C35 H35 118.2 . . ? C36 C35 H35 118.2 . . ? C31 C36 C35 118.5(16) . . ? C31 C36 H36 120.7 . . ? C35 C36 H36 120.7 . . ? C42 C37 C38 118.2(14) . . ? C42 C37 P3 122.6(12) . . ? C38 C37 P3 119.3(12) . . ? C39 C38 C37 120.1(16) . . ? C39 C38 H38 119.9 . . ? C37 C38 H38 119.9 . . ? C38 C39 C40 121.6(17) . . ? C38 C39 H39 119.2 . . ? C40 C39 H39 119.2 . . ? C39 C40 C41 118.2(17) . . ? C39 C40 H40 120.9 . . ? C41 C40 H40 120.9 . . ? C42 C41 C40 121.6(18) . . ? C42 C41 H41 119.2 . . ? C40 C41 H41 119.2 . . ? C41 C42 C37 120.3(17) . . ? C41 C42 H42 119.9 . . ? C37 C42 H42 119.9 . . ? C48 C43 C44 118.2(14) . . ? C48 C43 P4 119.2(10) . . ? C44 C43 P4 122.6(12) . . ? C45 C44 C43 123.0(16) . . ? C45 C44 H44 118.5 . . ? C43 C44 H44 118.5 . . ? C44 C45 C46 118.0(15) . . ? C44 C45 H45 121.0 . . ? C46 C45 H45 121.0 . . ? C47 C46 C45 120.5(14) . . ? C47 C46 H46 119.7 . . ? C45 C46 H46 119.7 . . ? C46 C47 C48 118.4(16) . . ? C46 C47 H47 120.8 . . ? C48 C47 H47 120.8 . . ? C43 C48 C47 121.8(15) . . ? C43 C48 H48 119.1 . . ? C47 C48 H48 119.1 . . ? C50 C49 C54 118.1(14) . . ? C50 C49 P4 120.6(12) . . ? C54 C49 P4 121.1(11) . . ? C51 C50 C49 119.9(17) . . ? C51 C50 H50 120.0 . . ? C49 C50 H50 120.0 . . ? C50 C51 C52 123.1(17) . . ? C50 C51 H51 118.4 . . ? C52 C51 H51 118.4 . . ? C53 C52 C51 115.0(16) . . ? C53 C52 H52 122.5 . . ? C51 C52 H52 122.5 . . ? C52 C53 C54 126.2(17) . . ? C52 C53 H53 116.9 . . ? C54 C53 H53 116.9 . . ? C53 C54 C49 117.6(16) . . ? C53 C54 H54 121.2 . . ? C49 C54 H54 121.2 . . ? C60 C55 C56 117.9(14) . . ? C60 C55 P4 121.1(11) . . ? C56 C55 P4 120.5(10) . . ? C57 C56 C55 118.8(13) . . ? C57 C56 H56 120.6 . . ? C55 C56 H56 120.6 . . ? C58 C57 C56 124.3(15) . . ? C58 C57 H57 117.9 . . ? C56 C57 H57 117.9 . . ? C57 C58 C59 118.9(14) . . ? C57 C58 H58 120.6 . . ? C59 C58 H58 120.6 . . ? C58 C59 C60 120.1(14) . . ? C58 C59 H59 119.9 . . ? C60 C59 H59 119.9 . . ? C55 C60 C59 119.8(14) . . ? C55 C60 H60 120.1 . . ? C59 C60 H60 120.1 . . ? C62 C61 C66 122.2(14) . . ? C62 C61 P5 118.1(11) . . ? C66 C61 P5 119.5(12) . . ? C61 C62 C63 120.7(14) . . ? C61 C62 H62 119.6 . . ? C63 C62 H62 119.6 . . ? C64 C63 C62 120.0(16) . . ? C64 C63 H63 120.0 . . ? C62 C63 H63 120.0 . . ? C63 C64 C65 119.0(16) . . ? C63 C64 H64 120.5 . . ? C65 C64 H64 120.5 . . ? C66 C65 C64 120.3(15) . . ? C66 C65 H65 119.9 . . ? C64 C65 H65 119.9 . . ? C61 C66 C65 117.5(15) . . ? C61 C66 H66 121.2 . . ? C65 C66 H66 121.2 . . ? C72 C67 C68 119.6(14) . . ? C72 C67 P5 120.1(11) . . ? C68 C67 P5 120.2(11) . . ? C69 C68 C67 119.3(14) . . ? C69 C68 H68 120.3 . . ? C67 C68 H68 120.3 . . ? C70 C69 C68 120.4(16) . . ? C70 C69 H69 119.8 . . ? C68 C69 H69 119.8 . . ? C69 C70 C71 121.2(16) . . ? C69 C70 H70 119.4 . . ? C71 C70 H70 119.4 . . ? C72 C71 C70 119.1(16) . . ? C72 C71 H71 120.4 . . ? C70 C71 H71 120.4 . . ? C67 C72 C71 120.4(15) . . ? C67 C72 H72 119.8 . . ? C71 C72 H72 119.8 . . ? C78 C73 C74 120.1(13) . . ? C78 C73 P5 118.4(11) . . ? C74 C73 P5 121.3(11) . . ? C73 C74 C75 121.3(14) . . ? C73 C74 H74 119.4 . . ? C75 C74 H74 119.4 . . ? C76 C75 C74 116.6(14) . . ? C76 C75 H75 121.7 . . ? C74 C75 H75 121.7 . . ? C75 C76 C77 122.5(13) . . ? C75 C76 H76 118.7 . . ? C77 C76 H76 118.7 . . ? C76 C77 C78 119.6(14) . . ? C76 C77 H77 120.2 . . ? C78 C77 H77 120.2 . . ? C73 C78 C77 119.5(14) . . ? C73 C78 H78 120.2 . . ? C77 C78 H78 120.2 . . ? C84 C79 C80 118.2(14) . . ? C84 C79 P6 124.7(12) . . ? C80 C79 P6 117.0(11) . . ? C79 C80 C81 123.1(16) . . ? C79 C80 H80 118.4 . . ? C81 C80 H80 118.4 . . ? C80 C81 C82 116.9(16) . . ? C80 C81 H81 121.5 . . ? C82 C81 H81 121.5 . . ? C83 C82 C81 118.7(16) . . ? C83 C82 H82 120.7 . . ? C81 C82 H82 120.7 . . ? C84 C83 C82 122.4(16) . . ? C84 C83 H83 118.8 . . ? C82 C83 H83 118.8 . . ? C83 C84 C79 120.5(15) . . ? C83 C84 H84 119.7 . . ? C79 C84 H84 119.7 . . ? C86 C85 C90 118.4(13) . . ? C86 C85 P6 118.3(10) . . ? C90 C85 P6 123.3(11) . . ? C85 C86 C87 122.7(14) . . ? C85 C86 H86 118.7 . . ? C87 C86 H86 118.7 . . ? C88 C87 C86 118.1(15) . . ? C88 C87 H87 121.0 . . ? C86 C87 H87 121.0 . . ? C89 C88 C87 121.1(14) . . ? C89 C88 H88 119.4 . . ? C87 C88 H88 119.4 . . ? C88 C89 C90 118.3(14) . . ? C88 C89 H89 120.9 . . ? C90 C89 H89 120.9 . . ? C85 C90 C89 121.5(15) . . ? C85 C90 H90 119.2 . . ? C89 C90 H90 119.2 . . ? C92 C91 C96 115.9(14) . . ? C92 C91 P7 121.1(10) . . ? C96 C91 P7 123.0(12) . . ? C91 C92 C93 121.7(14) . . ? C91 C92 H92 119.1 . . ? C93 C92 H92 119.1 . . ? C94 C93 C92 120.8(16) . . ? C94 C93 H93 119.6 . . ? C92 C93 H93 119.6 . . ? C93 C94 C95 117.4(16) . . ? C93 C94 H94 121.3 . . ? C95 C94 H94 121.3 . . ? C96 C95 C94 120.9(15) . . ? C96 C95 H95 119.6 . . ? C94 C95 H95 119.6 . . ? C95 C96 C91 123.2(15) . . ? C95 C96 H96 118.4 . . ? C91 C96 H96 118.4 . . ? C98 C97 C102 118.0(13) . . ? C98 C97 P7 124.8(11) . . ? C102 C97 P7 117.2(11) . . ? C97 C98 C99 121.5(14) . . ? C97 C98 H98 119.3 . . ? C99 C98 H98 119.3 . . ? C98 C99 C100 118.9(14) . . ? C98 C99 H99 120.6 . . ? C100 C99 H99 120.6 . . ? C101 C100 C99 120.0(13) . . ? C101 C100 H100 120.0 . . ? C99 C100 H100 120.0 . . ? C100 C101 C102 120.9(14) . . ? C100 C101 H101 119.6 . . ? C102 C101 H101 119.6 . . ? C101 C102 C97 120.7(13) . . ? C101 C102 H102 119.7 . . ? C97 C102 H102 119.7 . . ? C104 C103 C108 120.2(16) . . ? C104 C103 P8 115.3(12) . . ? C108 C103 P8 124.4(14) . . ? C103 C104 C105 118.0(16) . . ? C103 C104 H104 121.0 . . ? C105 C104 H104 121.0 . . ? C106 C105 C104 122.4(19) . . ? C106 C105 H105 118.8 . . ? C104 C105 H105 118.8 . . ? C105 C106 C107 117(2) . . ? C105 C106 H106 121.4 . . ? C107 C106 H106 121.4 . . ? C106 C107 C108 123.2(18) . . ? C106 C107 H107 118.4 . . ? C108 C107 H107 118.4 . . ? C103 C108 C107 118.8(18) . . ? C103 C108 H108 120.6 . . ? C107 C108 H108 120.6 . . ? C114 C109 C110 119.2(14) . . ? C114 C109 P8 118.3(11) . . ? C110 C109 P8 122.3(11) . . ? C111 C110 C109 119.8(15) . . ? C111 C110 H110 120.1 . . ? C109 C110 H110 120.1 . . ? C112 C111 C110 120.3(16) . . ? C112 C111 H111 119.8 . . ? C110 C111 H111 119.8 . . ? C111 C112 C113 121.9(15) . . ? C111 C112 H112 119.1 . . ? C113 C112 H112 119.1 . . ? C112 C113 C114 119.2(15) . . ? C112 C113 H113 120.4 . . ? C114 C113 H113 120.4 . . ? C109 C114 C113 119.3(15) . . ? C109 C114 H114 120.3 . . ? C113 C114 H114 120.3 . . ? C120 C115 C116 119.3(17) . . ? C120 C115 P8 118.9(13) . . ? C116 C115 P8 121.7(16) . . ? C117 C116 C115 122(2) . . ? C117 C116 H116 118.8 . . ? C115 C116 H116 118.8 . . ? C116 C117 C118 121(2) . . ? C116 C117 H117 119.6 . . ? C118 C117 H117 119.6 . . ? C117 C118 C119 118.8(17) . . ? C117 C118 H118 120.6 . . ? C119 C118 H118 120.6 . . ? C118 C119 C120 121(2) . . ? C118 C119 H119 119.7 . . ? C120 C119 H119 119.7 . . ? C115 C120 C119 117.4(19) . . ? C115 C120 H120 121.3 . . ? C119 C120 H120 121.3 . . ? Cl4 C121 Cl3 115.9(13) . . ? Cl4 C121 H12A 108.3 . . ? Cl3 C121 H12A 108.3 . . ? Cl4 C121 H12B 108.3 . . ? Cl3 C121 H12B 108.3 . . ? H12A C121 H12B 107.4 . . ? Cl7 C122 Cl8 111.1(12) . . ? Cl7 C122 H12C 109.4 . . ? Cl8 C122 H12C 109.4 . . ? Cl7 C122 H12D 109.4 . . ? Cl8 C122 H12D 109.4 . . ? H12C C122 H12D 108.0 . . ? Cl5 C123 Cl6 103(2) . . ? Cl5 C123 H12E 111.1 . . ? Cl6 C123 H12E 111.1 . . ? Cl5 C123 H12F 111.1 . . ? Cl6 C123 H12F 111.1 . . ? H12E C123 H12F 109.0 . . ? C125 C124 C129 120.0 . . ? C125 C124 Cl1 118.3(4) . . ? C129 C124 Cl1 115.4(4) . . ? C124 C125 C126 120.0 . . ? C124 C125 H125 120.0 . . ? C126 C125 H125 120.0 . . ? C125 C126 C127 120.0 . . ? C125 C126 H126 120.0 . . ? C127 C126 H126 120.0 . . ? C128 C127 C126 120.0 . . ? C128 C127 H127 120.0 . . ? C126 C127 H127 120.0 . . ? C127 C128 C129 120.0 . . ? C127 C128 H128 120.0 . . ? C129 C128 H128 120.0 . . ? C128 C129 C124 120.0 . . ? C128 C129 H129 120.0 . . ? C124 C129 H129 120.0 . . ? 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 P1 Pt1 I1 Pt2 -146.8(4) . . . . ? P2 Pt1 I1 Pt2 -29.76(10) . . . . ? I3 Pt1 I1 Pt2 135.75(7) . . . . ? P2 Pt2 I1 Pt1 30.17(10) . . . . ? P3 Pt2 I1 Pt1 160.4(4) . . . . ? I2 Pt2 I1 Pt1 -138.80(5) . . . . ? P4 Pt3 I2 Pt2 -150.9(5) . . . . ? P3 Pt3 I2 Pt2 -34.55(10) . . . . ? X1A Pt3 I2 Pt2 135.40(9) . . . . ? X1B Pt3 I2 Pt2 135.40(9) . . . . ? P2 Pt2 I2 Pt3 170.2(4) . . . . ? P3 Pt2 I2 Pt3 34.60(10) . . . . ? I1 Pt2 I2 Pt3 -132.95(5) . . . . ? P5 Pt4 I4 Pt5 -149.1(6) . . . . ? P6 Pt4 I4 Pt5 -20.63(9) . . . . ? X2A Pt4 I4 Pt5 152.00(7) . . . . ? X2B Pt4 I4 Pt5 152.00(7) . . . . ? P7 Pt5 I4 Pt4 171.8(5) . . . . ? P6 Pt5 I4 Pt4 20.59(9) . . . . ? I5 Pt5 I4 Pt4 -151.09(4) . . . . ? P8 Pt6 I5 Pt5 -110(3) . . . . ? P7 Pt6 I5 Pt5 -30.46(10) . . . . ? I6 Pt6 I5 Pt5 144.16(6) . . . . ? P7 Pt5 I5 Pt6 30.90(10) . . . . ? P6 Pt5 I5 Pt6 167.9(5) . . . . ? I4 Pt5 I5 Pt6 -142.34(5) . . . . ? P2 Pt1 P1 C7 -27.9(6) . . . . ? I3 Pt1 P1 C7 164.4(6) . . . . ? I1 Pt1 P1 C7 86.9(7) . . . . ? P2 Pt1 P1 C13 98.8(6) . . . . ? I3 Pt1 P1 C13 -68.9(6) . . . . ? I1 Pt1 P1 C13 -146.4(6) . . . . ? P2 Pt1 P1 C1 -141.4(5) . . . . ? I3 Pt1 P1 C1 50.9(5) . . . . ? I1 Pt1 P1 C1 -26.6(7) . . . . ? P3 Pt2 P2 C25 36.7(5) . . . . ? I1 Pt2 P2 C25 -154.5(5) . . . . ? I2 Pt2 P2 C25 -97.0(7) . . . . ? P3 Pt2 P2 C19 -85.3(5) . . . . ? I1 Pt2 P2 C19 83.5(5) . . . . ? I2 Pt2 P2 C19 141.1(6) . . . . ? P3 Pt2 P2 Pt1 155.97(13) . . . . ? I1 Pt2 P2 Pt1 -35.27(10) . . . . ? I2 Pt2 P2 Pt1 22.3(5) . . . . ? P1 Pt1 P2 C25 -38.4(6) . . . . ? I3 Pt1 P2 C25 94.1(7) . . . . ? I1 Pt1 P2 C25 154.1(6) . . . . ? P1 Pt1 P2 C19 84.0(6) . . . . ? I3 Pt1 P2 C19 -143.5(6) . . . . ? I1 Pt1 P2 C19 -83.5(6) . . . . ? P1 Pt1 P2 Pt2 -157.07(14) . . . . ? I3 Pt1 P2 Pt2 -24.6(5) . . . . ? I1 Pt1 P2 Pt2 35.45(10) . . . . ? P2 Pt2 P3 C31 28.1(5) . . . . ? I1 Pt2 P3 C31 -99.8(6) . . . . ? I2 Pt2 P3 C31 -161.4(5) . . . . ? P2 Pt2 P3 C37 -94.9(5) . . . . ? I1 Pt2 P3 C37 137.1(6) . . . . ? I2 Pt2 P3 C37 75.6(5) . . . . ? P2 Pt2 P3 Pt3 149.11(12) . . . . ? I1 Pt2 P3 Pt3 21.2(4) . . . . ? I2 Pt2 P3 Pt3 -40.40(9) . . . . ? P4 Pt3 P3 C31 -31.6(5) . . . . ? X1A Pt3 P3 C31 116.8(6) . . . . ? X1B Pt3 P3 C31 116.8(6) . . . . ? I2 Pt3 P3 C31 159.4(5) . . . . ? P4 Pt3 P3 C37 92.1(5) . . . . ? X1A Pt3 P3 C37 -119.5(6) . . . . ? X1B Pt3 P3 C37 -119.5(6) . . . . ? I2 Pt3 P3 C37 -76.9(5) . . . . ? P4 Pt3 P3 Pt2 -150.41(12) . . . . ? X1A Pt3 P3 Pt2 -2.0(5) . . . . ? X1B Pt3 P3 Pt2 -2.0(5) . . . . ? I2 Pt3 P3 Pt2 40.60(9) . . . . ? P3 Pt3 P4 C43 -22.1(5) . . . . ? X1A Pt3 P4 C43 165.6(5) . . . . ? X1B Pt3 P4 C43 165.6(5) . . . . ? I2 Pt3 P4 C43 92.4(7) . . . . ? P3 Pt3 P4 C49 102.1(5) . . . . ? X1A Pt3 P4 C49 -70.1(5) . . . . ? X1B Pt3 P4 C49 -70.1(5) . . . . ? I2 Pt3 P4 C49 -143.3(6) . . . . ? P3 Pt3 P4 C55 -142.1(5) . . . . ? X1A Pt3 P4 C55 45.7(5) . . . . ? X1B Pt3 P4 C55 45.7(5) . . . . ? I2 Pt3 P4 C55 -27.5(7) . . . . ? P6 Pt4 P5 C73 -20.8(6) . . . . ? X2A Pt4 P5 C73 165.2(6) . . . . ? X2B Pt4 P5 C73 165.2(6) . . . . ? I4 Pt4 P5 C73 106.6(8) . . . . ? P6 Pt4 P5 C67 105.2(5) . . . . ? X2A Pt4 P5 C67 -68.9(5) . . . . ? X2B Pt4 P5 C67 -68.9(5) . . . . ? I4 Pt4 P5 C67 -127.4(7) . . . . ? P6 Pt4 P5 C61 -136.6(5) . . . . ? X2A Pt4 P5 C61 49.3(5) . . . . ? X2B Pt4 P5 C61 49.3(5) . . . . ? I4 Pt4 P5 C61 -9.3(9) . . . . ? P5 Pt4 P6 C85 76.7(5) . . . . ? X2A Pt4 P6 C85 -130.6(6) . . . . ? X2B Pt4 P6 C85 -130.6(6) . . . . ? I4 Pt4 P6 C85 -96.2(4) . . . . ? P5 Pt4 P6 C79 -43.6(5) . . . . ? X2A Pt4 P6 C79 109.1(7) . . . . ? X2B Pt4 P6 C79 109.1(7) . . . . ? I4 Pt4 P6 C79 143.5(5) . . . . ? P5 Pt4 P6 Pt5 -162.61(13) . . . . ? X2A Pt4 P6 Pt5 -9.9(6) . . . . ? X2B Pt4 P6 Pt5 -9.9(6) . . . . ? I4 Pt4 P6 Pt5 24.51(11) . . . . ? P7 Pt5 P6 C85 -82.0(5) . . . . ? I4 Pt5 P6 C85 92.4(5) . . . . ? I5 Pt5 P6 C85 142.6(6) . . . . ? P7 Pt5 P6 C79 41.9(5) . . . . ? I4 Pt5 P6 C79 -143.6(5) . . . . ? I5 Pt5 P6 C79 -93.5(7) . . . . ? P7 Pt5 P6 Pt4 161.18(14) . . . . ? I4 Pt5 P6 Pt4 -24.38(11) . . . . ? I5 Pt5 P6 Pt4 25.8(6) . . . . ? P6 Pt5 P7 C97 26.7(6) . . . . ? I4 Pt5 P7 C97 -123.4(7) . . . . ? I5 Pt5 P7 C97 -161.0(6) . . . . ? P6 Pt5 P7 C91 -91.3(5) . . . . ? I4 Pt5 P7 C91 118.6(6) . . . . ? I5 Pt5 P7 C91 81.0(5) . . . . ? P6 Pt5 P7 Pt6 151.49(12) . . . . ? I4 Pt5 P7 Pt6 1.4(6) . . . . ? I5 Pt5 P7 Pt6 -36.21(10) . . . . ? P8 Pt6 P7 C97 -22.6(6) . . . . ? I6 Pt6 P7 C97 132.1(6) . . . . ? I5 Pt6 P7 C97 159.3(5) . . . . ? P8 Pt6 P7 C91 98.4(5) . . . . ? I6 Pt6 P7 C91 -106.9(7) . . . . ? I5 Pt6 P7 C91 -79.7(5) . . . . ? P8 Pt6 P7 Pt5 -145.37(13) . . . . ? I6 Pt6 P7 Pt5 9.3(6) . . . . ? I5 Pt6 P7 Pt5 36.52(10) . . . . ? P7 Pt6 P8 C109 78.5(5) . . . . ? I6 Pt6 P8 C109 -96.5(5) . . . . ? I5 Pt6 P8 C109 158(3) . . . . ? P7 Pt6 P8 C115 -163.7(7) . . . . ? I6 Pt6 P8 C115 21.3(7) . . . . ? I5 Pt6 P8 C115 -84(3) . . . . ? P7 Pt6 P8 C103 -44.6(6) . . . . ? I6 Pt6 P8 C103 140.5(6) . . . . ? I5 Pt6 P8 C103 35(3) . . . . ? C7 P1 C1 C6 -84.5(16) . . . . ? C13 P1 C1 C6 166.0(15) . . . . ? Pt1 P1 C1 C6 40.4(16) . . . . ? C7 P1 C1 C2 98.3(16) . . . . ? C13 P1 C1 C2 -11.2(17) . . . . ? Pt1 P1 C1 C2 -136.7(14) . . . . ? C6 C1 C2 C3 4(3) . . . . ? P1 C1 C2 C3 -178.9(17) . . . . ? C1 C2 C3 C4 3(4) . . . . ? C2 C3 C4 C5 -9(5) . . . . ? C3 C4 C5 C6 9(4) . . . . ? C2 C1 C6 C5 -3(3) . . . . ? P1 C1 C6 C5 179.3(16) . . . . ? C4 C5 C6 C1 -2(3) . . . . ? C13 P1 C7 C8 144.4(18) . . . . ? C1 P1 C7 C8 32.9(19) . . . . ? Pt1 P1 C7 C8 -83.5(18) . . . . ? C13 P1 C7 C12 -34.6(16) . . . . ? C1 P1 C7 C12 -146.1(14) . . . . ? Pt1 P1 C7 C12 97.4(14) . . . . ? C12 C7 C8 C9 -1(4) . . . . ? P1 C7 C8 C9 180(2) . . . . ? C7 C8 C9 C10 0(5) . . . . ? C8 C9 C10 C11 -1(4) . . . . ? C9 C10 C11 C12 2(4) . . . . ? C8 C7 C12 C11 3(3) . . . . ? P1 C7 C12 C11 -177.7(15) . . . . ? C10 C11 C12 C7 -4(3) . . . . ? C7 P1 C13 C18 -39.8(18) . . . . ? C1 P1 C13 C18 67.4(18) . . . . ? Pt1 P1 C13 C18 -173.2(14) . . . . ? C7 P1 C13 C14 136.0(13) . . . . ? C1 P1 C13 C14 -116.8(14) . . . . ? Pt1 P1 C13 C14 2.6(15) . . . . ? C18 C13 C14 C15 1(3) . . . . ? P1 C13 C14 C15 -175.0(14) . . . . ? C13 C14 C15 C16 0(3) . . . . ? C14 C15 C16 C17 -1(3) . . . . ? C15 C16 C17 C18 2(3) . . . . ? C14 C13 C18 C17 0(3) . . . . ? P1 C13 C18 C17 175.7(17) . . . . ? C16 C17 C18 C13 -1(3) . . . . ? C25 P2 C19 C20 40.8(15) . . . . ? Pt2 P2 C19 C20 166.1(11) . . . . ? Pt1 P2 C19 C20 -85.4(13) . . . . ? C25 P2 C19 C24 -142.8(12) . . . . ? Pt2 P2 C19 C24 -17.4(14) . . . . ? Pt1 P2 C19 C24 91.1(12) . . . . ? C24 C19 C20 C21 2(2) . . . . ? P2 C19 C20 C21 178.2(14) . . . . ? C19 C20 C21 C22 -1(3) . . . . ? C20 C21 C22 C23 -1(3) . . . . ? C21 C22 C23 C24 2(3) . . . . ? C22 C23 C24 C19 -1(3) . . . . ? C20 C19 C24 C23 -1(2) . . . . ? P2 C19 C24 C23 -177.5(13) . . . . ? C19 P2 C25 C26 19.7(15) . . . . ? Pt2 P2 C25 C26 -105.9(13) . . . . ? Pt1 P2 C25 C26 145.6(12) . . . . ? C19 P2 C25 C30 -162.6(12) . . . . ? Pt2 P2 C25 C30 71.9(12) . . . . ? Pt1 P2 C25 C30 -36.7(13) . . . . ? C30 C25 C26 C27 1(2) . . . . ? P2 C25 C26 C27 178.9(13) . . . . ? C25 C26 C27 C28 1(3) . . . . ? C26 C27 C28 C29 -3(3) . . . . ? C27 C28 C29 C30 3(3) . . . . ? C28 C29 C30 C25 0(3) . . . . ? C26 C25 C30 C29 -2(2) . . . . ? P2 C25 C30 C29 -179.8(13) . . . . ? C37 P3 C31 C36 -11.5(15) . . . . ? Pt2 P3 C31 C36 -138.7(12) . . . . ? Pt3 P3 C31 C36 115.2(13) . . . . ? C37 P3 C31 C32 172.3(11) . . . . ? Pt2 P3 C31 C32 45.1(12) . . . . ? Pt3 P3 C31 C32 -61.0(12) . . . . ? C36 C31 C32 C33 3(2) . . . . ? P3 C31 C32 C33 179.7(12) . . . . ? C31 C32 C33 C34 1(2) . . . . ? C32 C33 C34 C35 -3(3) . . . . ? C33 C34 C35 C36 2(3) . . . . ? C32 C31 C36 C35 -4(2) . . . . ? P3 C31 C36 C35 179.4(12) . . . . ? C34 C35 C36 C31 2(3) . . . . ? C31 P3 C37 C42 -47.9(13) . . . . ? Pt2 P3 C37 C42 79.3(12) . . . . ? Pt3 P3 C37 C42 -177.3(11) . . . . ? C31 P3 C37 C38 131.9(11) . . . . ? Pt2 P3 C37 C38 -100.9(11) . . . . ? Pt3 P3 C37 C38 2.6(12) . . . . ? C42 C37 C38 C39 0(2) . . . . ? P3 C37 C38 C39 -179.8(12) . . . . ? C37 C38 C39 C40 1(2) . . . . ? C38 C39 C40 C41 -2(3) . . . . ? C39 C40 C41 C42 2(3) . . . . ? C40 C41 C42 C37 -1(2) . . . . ? C38 C37 C42 C41 0(2) . . . . ? P3 C37 C42 C41 -179.8(12) . . . . ? C49 P4 C43 C48 -178.1(11) . . . . ? C55 P4 C43 C48 72.1(12) . . . . ? Pt3 P4 C43 C48 -50.5(13) . . . . ? C49 P4 C43 C44 4.8(14) . . . . ? C55 P4 C43 C44 -104.9(13) . . . . ? Pt3 P4 C43 C44 132.4(11) . . . . ? C48 C43 C44 C45 0(2) . . . . ? P4 C43 C44 C45 177.1(12) . . . . ? C43 C44 C45 C46 -1(2) . . . . ? C44 C45 C46 C47 2(2) . . . . ? C45 C46 C47 C48 -2(2) . . . . ? C44 C43 C48 C47 -1(2) . . . . ? P4 C43 C48 C47 -177.7(11) . . . . ? C46 C47 C48 C43 2(2) . . . . ? C43 P4 C49 C50 103.9(12) . . . . ? C55 P4 C49 C50 -145.6(12) . . . . ? Pt3 P4 C49 C50 -26.1(13) . . . . ? C43 P4 C49 C54 -71.5(13) . . . . ? C55 P4 C49 C54 39.0(13) . . . . ? Pt3 P4 C49 C54 158.5(11) . . . . ? C54 C49 C50 C51 -1(2) . . . . ? P4 C49 C50 C51 -176.1(12) . . . . ? C49 C50 C51 C52 -2(3) . . . . ? C50 C51 C52 C53 4(3) . . . . ? C51 C52 C53 C54 -3(3) . . . . ? C52 C53 C54 C49 0(3) . . . . ? C50 C49 C54 C53 2(2) . . . . ? P4 C49 C54 C53 177.1(13) . . . . ? C43 P4 C55 C60 -41.7(14) . . . . ? C49 P4 C55 C60 -153.2(12) . . . . ? Pt3 P4 C55 C60 85.3(12) . . . . ? C43 P4 C55 C56 146.3(12) . . . . ? C49 P4 C55 C56 34.7(13) . . . . ? Pt3 P4 C55 C56 -86.8(12) . . . . ? C60 C55 C56 C57 3(2) . . . . ? P4 C55 C56 C57 174.9(12) . . . . ? C55 C56 C57 C58 -1(2) . . . . ? C56 C57 C58 C59 2(3) . . . . ? C57 C58 C59 C60 -4(3) . . . . ? C56 C55 C60 C59 -5(2) . . . . ? P4 C55 C60 C59 -177.4(12) . . . . ? C58 C59 C60 C55 6(2) . . . . ? C73 P5 C61 C62 -91.9(12) . . . . ? C67 P5 C61 C62 157.8(12) . . . . ? Pt4 P5 C61 C62 36.1(13) . . . . ? C73 P5 C61 C66 83.6(13) . . . . ? C67 P5 C61 C66 -26.7(13) . . . . ? Pt4 P5 C61 C66 -148.4(11) . . . . ? C66 C61 C62 C63 -1(2) . . . . ? P5 C61 C62 C63 174.3(13) . . . . ? C61 C62 C63 C64 5(3) . . . . ? C62 C63 C64 C65 -4(3) . . . . ? C63 C64 C65 C66 0(3) . . . . ? C62 C61 C66 C65 -3(2) . . . . ? P5 C61 C66 C65 -178.4(11) . . . . ? C64 C65 C66 C61 4(2) . . . . ? C73 P5 C67 C72 145.8(13) . . . . ? C61 P5 C67 C72 -106.3(13) . . . . ? Pt4 P5 C67 C72 11.8(15) . . . . ? C73 P5 C67 C68 -35.7(14) . . . . ? C61 P5 C67 C68 72.2(14) . . . . ? Pt4 P5 C67 C68 -169.8(11) . . . . ? C72 C67 C68 C69 0(2) . . . . ? P5 C67 C68 C69 -178.0(13) . . . . ? C67 C68 C69 C70 -1(3) . . . . ? C68 C69 C70 C71 0(3) . . . . ? C69 C70 C71 C72 0(3) . . . . ? C68 C67 C72 C71 0(3) . . . . ? P5 C67 C72 C71 178.7(14) . . . . ? C70 C71 C72 C67 -1(3) . . . . ? C67 P5 C73 C78 136.1(11) . . . . ? C61 P5 C73 C78 24.2(12) . . . . ? Pt4 P5 C73 C78 -94.4(11) . . . . ? C67 P5 C73 C74 -38.7(13) . . . . ? C61 P5 C73 C74 -150.7(12) . . . . ? Pt4 P5 C73 C74 90.7(12) . . . . ? C78 C73 C74 C75 6(2) . . . . ? P5 C73 C74 C75 -179.0(11) . . . . ? C73 C74 C75 C76 -3(2) . . . . ? C74 C75 C76 C77 1(2) . . . . ? C75 C76 C77 C78 -1(2) . . . . ? C74 C73 C78 C77 -6(2) . . . . ? P5 C73 C78 C77 178.7(11) . . . . ? C76 C77 C78 C73 4(2) . . . . ? C85 P6 C79 C84 28.4(15) . . . . ? Pt4 P6 C79 C84 149.0(12) . . . . ? Pt5 P6 C79 C84 -98.7(13) . . . . ? C85 P6 C79 C80 -156.9(11) . . . . ? Pt4 P6 C79 C80 -36.4(13) . . . . ? Pt5 P6 C79 C80 76.0(12) . . . . ? C84 C79 C80 C81 -4(2) . . . . ? P6 C79 C80 C81 -178.7(13) . . . . ? C79 C80 C81 C82 3(3) . . . . ? C80 C81 C82 C83 -2(3) . . . . ? C81 C82 C83 C84 3(3) . . . . ? C82 C83 C84 C79 -4(2) . . . . ? C80 C79 C84 C83 4(2) . . . . ? P6 C79 C84 C83 178.6(12) . . . . ? C79 P6 C85 C86 -156.0(12) . . . . ? Pt4 P6 C85 C86 81.5(12) . . . . ? Pt5 P6 C85 C86 -30.4(13) . . . . ? C79 P6 C85 C90 27.7(14) . . . . ? Pt4 P6 C85 C90 -94.7(12) . . . . ? Pt5 P6 C85 C90 153.3(11) . . . . ? C90 C85 C86 C87 0(2) . . . . ? P6 C85 C86 C87 -176.4(14) . . . . ? C85 C86 C87 C88 0(3) . . . . ? C86 C87 C88 C89 -1(3) . . . . ? C87 C88 C89 C90 1(3) . . . . ? C86 C85 C90 C89 0(2) . . . . ? P6 C85 C90 C89 176.4(12) . . . . ? C88 C89 C90 C85 -1(2) . . . . ? C97 P7 C91 C92 -41.7(14) . . . . ? Pt5 P7 C91 C92 82.4(13) . . . . ? Pt6 P7 C91 C92 -170.1(11) . . . . ? C97 P7 C91 C96 136.1(13) . . . . ? Pt5 P7 C91 C96 -99.8(12) . . . . ? Pt6 P7 C91 C96 7.7(14) . . . . ? C96 C91 C92 C93 0(2) . . . . ? P7 C91 C92 C93 178.1(14) . . . . ? C91 C92 C93 C94 -3(3) . . . . ? C92 C93 C94 C95 4(3) . . . . ? C93 C94 C95 C96 -2(3) . . . . ? C94 C95 C96 C91 -1(3) . . . . ? C92 C91 C96 C95 2(2) . . . . ? P7 C91 C96 C95 -176.4(13) . . . . ? C91 P7 C97 C98 -20.2(16) . . . . ? Pt5 P7 C97 C98 -141.9(13) . . . . ? Pt6 P7 C97 C98 104.9(14) . . . . ? C91 P7 C97 C102 161.8(11) . . . . ? Pt5 P7 C97 C102 40.1(13) . . . . ? Pt6 P7 C97 C102 -73.1(12) . . . . ? C102 C97 C98 C99 -4(2) . . . . ? P7 C97 C98 C99 178.4(14) . . . . ? C97 C98 C99 C100 2(3) . . . . ? C98 C99 C100 C101 0(3) . . . . ? C99 C100 C101 C102 -1(3) . . . . ? C100 C101 C102 C97 -1(2) . . . . ? C98 C97 C102 C101 3(2) . . . . ? P7 C97 C102 C101 -178.9(12) . . . . ? C109 P8 C103 C104 -164.1(13) . . . . ? C115 P8 C103 C104 85.8(14) . . . . ? Pt6 P8 C103 C104 -40.9(14) . . . . ? C109 P8 C103 C108 19.5(18) . . . . ? C115 P8 C103 C108 -90.6(17) . . . . ? Pt6 P8 C103 C108 142.7(15) . . . . ? C108 C103 C104 C105 -1(3) . . . . ? P8 C103 C104 C105 -177.5(16) . . . . ? C103 C104 C105 C106 3(4) . . . . ? C104 C105 C106 C107 0(4) . . . . ? C105 C106 C107 C108 -4(4) . . . . ? C104 C103 C108 C107 -3(3) . . . . ? P8 C103 C108 C107 173.4(16) . . . . ? C106 C107 C108 C103 5(4) . . . . ? C115 P8 C109 C114 -118.9(12) . . . . ? C103 P8 C109 C114 130.7(12) . . . . ? Pt6 P8 C109 C114 6.9(13) . . . . ? C115 P8 C109 C110 56.5(14) . . . . ? C103 P8 C109 C110 -54.0(15) . . . . ? Pt6 P8 C109 C110 -177.7(12) . . . . ? C114 C109 C110 C111 -5(3) . . . . ? P8 C109 C110 C111 179.9(15) . . . . ? C109 C110 C111 C112 1(3) . . . . ? C110 C111 C112 C113 3(3) . . . . ? C111 C112 C113 C114 -3(3) . . . . ? C110 C109 C114 C113 5(2) . . . . ? P8 C109 C114 C113 -180.0(11) . . . . ? C112 C113 C114 C109 -1(2) . . . . ? C109 P8 C115 C120 34.1(18) . . . . ? C103 P8 C115 C120 149.3(17) . . . . ? Pt6 P8 C115 C120 -87.5(17) . . . . ? C109 P8 C115 C116 -146.3(16) . . . . ? C103 P8 C115 C116 -31.1(18) . . . . ? Pt6 P8 C115 C116 92.1(16) . . . . ? C120 C115 C116 C117 0(3) . . . . ? P8 C115 C116 C117 -179.9(19) . . . . ? C115 C116 C117 C118 2(4) . . . . ? C116 C117 C118 C119 -6(4) . . . . ? C117 C118 C119 C120 9(4) . . . . ? C116 C115 C120 C119 3(3) . . . . ? P8 C115 C120 C119 -177.1(19) . . . . ? C118 C119 C120 C115 -8(4) . . . . ? C129 C124 C125 C126 0.0 . . . . ? Cl1 C124 C125 C126 150.9(4) . . . . ? C124 C125 C126 C127 0.0 . . . . ? C125 C126 C127 C128 0.0 . . . . ? C126 C127 C128 C129 0.0 . . . . ? C127 C128 C129 C124 0.0 . . . . ? C125 C124 C129 C128 0.0 . . . . ? Cl1 C124 C129 C128 -151.6(4) . . . . ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 27.88 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 4.001 _refine_diff_density_min -6.132 _refine_diff_density_rms 0.508 # Attachment 'Complex_6.cif' data_pt2i2 _database_code_depnum_ccdc_archive 'CCDC 717940' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C60 H50 I2 P4 Pt2' _chemical_formula_sum 'C60 H50 I2 P4 Pt2' _chemical_formula_weight 1538.86 _chemical_absolute_configuration ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Pt Pt -1.7033 8.3905 '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' 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' I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'C 2/c' _symmetry_space_group_name_Hall '-C 2yc' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 17.684(5) _cell_length_b 18.541(5) _cell_length_c 17.775(5) _cell_angle_alpha 90.00 _cell_angle_beta 111.15(5) _cell_angle_gamma 90.00 _cell_volume 5435(3) _cell_formula_units_Z 4 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 11766 _cell_measurement_theta_min 0.998 _cell_measurement_theta_max 30.034 _exptl_crystal_description prism _exptl_crystal_colour red _exptl_crystal_size_max 0.04 _exptl_crystal_size_mid 0.06 _exptl_crystal_size_min 0.08 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.880 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2928 _exptl_absorpt_coefficient_mu 6.433 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; The absorption was not corrected, small single crystals ; _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71070 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type KappaCCD _diffrn_measurement_method '\p scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 22342 _diffrn_reflns_av_R_equivalents 0.0532 _diffrn_reflns_av_sigmaI/netI 0.0751 _diffrn_reflns_limit_h_min -24 _diffrn_reflns_limit_h_max 23 _diffrn_reflns_limit_k_min -26 _diffrn_reflns_limit_k_max 23 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_theta_min 1.65 _diffrn_reflns_theta_max 30.01 _reflns_number_total 7915 _reflns_number_gt 6526 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Collect (Nonius B.V., 1998)' _computing_cell_refinement 'Denzo (Nonius B.V., 1998)' _computing_data_reduction 'Denzo (Nonius B.V., 1998)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'PLATON 98 (Spek, 1998)' _computing_publication_material 'SHELXL-97 (Sheldrick, 1997)' _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^)+(0.0522P)^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 7915 _refine_ls_number_parameters 307 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0700 _refine_ls_R_factor_gt 0.0462 _refine_ls_wR_factor_ref 0.1187 _refine_ls_wR_factor_gt 0.0925 _refine_ls_goodness_of_fit_ref 1.185 _refine_ls_restrained_S_all 1.185 _refine_ls_shift/su_max 0.002 _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 Pt Pt 0.512839(12) 0.223162(10) 0.153900(12) 0.01644(8) Uani 1 1 d . . . I I 0.40638(2) 0.18846(2) 0.00976(2) 0.02672(11) Uani 1 1 d . . . P1 P 0.41534(9) 0.23568(7) 0.21224(9) 0.0183(3) Uani 1 1 d . . . P2 P 0.61679(10) 0.23118(8) 0.10222(9) 0.0206(3) Uani 1 1 d . . . C1 C 0.3737(3) 0.3259(3) 0.1875(3) 0.0216(12) Uani 1 1 d . . . C2 C 0.3210(4) 0.3455(3) 0.1110(4) 0.0277(13) Uani 1 1 d . . . H2 H 0.3080 0.3115 0.0682 0.033 Uiso 1 1 calc . . . C3 C 0.2876(4) 0.4135(3) 0.0967(4) 0.0370(16) Uani 1 1 d . . . H3 H 0.2494 0.4254 0.0450 0.044 Uiso 1 1 calc . . . C4 C 0.3093(4) 0.4640(3) 0.1572(5) 0.0377(16) Uani 1 1 d . . . H4 H 0.2853 0.5106 0.1475 0.045 Uiso 1 1 calc . . . C5 C 0.3656(4) 0.4475(4) 0.2318(4) 0.0377(16) Uani 1 1 d . . . H5 H 0.3820 0.4835 0.2726 0.045 Uiso 1 1 calc . . . C6 C 0.3983(4) 0.3794(3) 0.2477(4) 0.0277(13) Uani 1 1 d . . . H6 H 0.4375 0.3684 0.2992 0.033 Uiso 1 1 calc . . . C7 C 0.3355(3) 0.1678(3) 0.1804(3) 0.0215(11) Uani 1 1 d . . . C8 C 0.3587(4) 0.0978(3) 0.2108(4) 0.0298(14) Uani 1 1 d . . . H8 H 0.4129 0.0890 0.2459 0.036 Uiso 1 1 calc . . . C9 C 0.3032(5) 0.0421(3) 0.1901(4) 0.0387(17) Uani 1 1 d . . . H9 H 0.3189 -0.0048 0.2115 0.046 Uiso 1 1 calc . . . C10 C 0.2238(4) 0.0551(4) 0.1375(4) 0.0405(17) Uani 1 1 d . . . H10 H 0.1856 0.0168 0.1217 0.049 Uiso 1 1 calc . . . C11 C 0.2017(4) 0.1231(4) 0.1090(4) 0.0436(18) Uani 1 1 d . . . H11 H 0.1475 0.1319 0.0739 0.052 Uiso 1 1 calc . . . C12 C 0.2563(4) 0.1795(4) 0.1302(4) 0.0351(15) Uani 1 1 d . . . H12 H 0.2393 0.2266 0.1101 0.042 Uiso 1 1 calc . . . C13 C 0.7235(4) 0.2340(3) 0.1698(4) 0.0246(13) Uani 1 1 d . . . C14 C 0.7750(4) 0.1756(4) 0.1779(5) 0.0391(16) Uani 1 1 d . . . H14 H 0.7550 0.1327 0.1482 0.047 Uiso 1 1 calc . . . C15 C 0.8560(5) 0.1795(5) 0.2292(5) 0.055(2) Uani 1 1 d . . . H15 H 0.8907 0.1394 0.2335 0.066 Uiso 1 1 calc . . . C16 C 0.8860(5) 0.2400(5) 0.2734(5) 0.051(2) Uani 1 1 d . . . H16 H 0.9411 0.2420 0.3086 0.062 Uiso 1 1 calc . . . C17 C 0.8357(5) 0.2978(4) 0.2663(4) 0.0408(17) Uani 1 1 d . . . H17 H 0.8562 0.3398 0.2975 0.049 Uiso 1 1 calc . . . C18 C 0.7548(4) 0.2961(4) 0.2140(4) 0.0311(14) Uani 1 1 d . . . H18 H 0.7213 0.3372 0.2087 0.037 Uiso 1 1 calc . . . C19 C 0.6073(4) 0.3147(3) 0.0434(4) 0.0242(12) Uani 1 1 d . . . C20 C 0.6735(4) 0.3411(4) 0.0264(4) 0.0324(14) Uani 1 1 d . . . H20 H 0.7235 0.3156 0.0447 0.039 Uiso 1 1 calc . . . C21 C 0.6662(4) 0.4040(4) -0.0170(4) 0.0406(17) Uani 1 1 d . . . H21 H 0.7115 0.4220 -0.0279 0.049 Uiso 1 1 calc . . . C22 C 0.5938(4) 0.4409(4) -0.0447(4) 0.0419(17) Uani 1 1 d . . . H22 H 0.5889 0.4841 -0.0748 0.050 Uiso 1 1 calc . . . C23 C 0.5288(4) 0.4145(4) -0.0281(5) 0.0439(18) Uani 1 1 d . . . H23 H 0.4785 0.4394 -0.0477 0.053 Uiso 1 1 calc . . . C24 C 0.5359(4) 0.3519(4) 0.0171(4) 0.0355(15) Uani 1 1 d . . . H24 H 0.4911 0.3351 0.0297 0.043 Uiso 1 1 calc . . . C25 C 0.6126(3) 0.1575(3) 0.0333(4) 0.0253(13) Uani 1 1 d . . . C26 C 0.6108(4) 0.1672(4) -0.0442(4) 0.0359(15) Uani 1 1 d . . . H26 H 0.6157 0.2142 -0.0631 0.043 Uiso 1 1 calc . . . C27 C 0.6018(5) 0.1077(5) -0.0946(5) 0.053(2) Uani 1 1 d . . . H27 H 0.6000 0.1143 -0.1483 0.064 Uiso 1 1 calc . . . C28 C 0.5954(5) 0.0395(4) -0.0670(5) 0.053(2) Uani 1 1 d . . . H28 H 0.5888 -0.0007 -0.1020 0.064 Uiso 1 1 calc . . . C29 C 0.5984(4) 0.0287(4) 0.0102(5) 0.0394(17) Uani 1 1 d . . . H29 H 0.5953 -0.0186 0.0295 0.047 Uiso 1 1 calc . . . C30 C 0.6059(4) 0.0875(4) 0.0591(4) 0.0328(15) Uani 1 1 d . . . H30 H 0.6067 0.0803 0.1123 0.039 Uiso 1 1 calc . . . 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 Pt 0.01510(12) 0.01814(13) 0.01650(11) -0.00097(8) 0.00619(8) -0.00062(8) I 0.0228(2) 0.0327(2) 0.0210(2) -0.00462(15) 0.00348(16) -0.00230(16) P1 0.0192(7) 0.0183(7) 0.0191(7) -0.0002(5) 0.0088(6) -0.0002(5) P2 0.0205(8) 0.0221(8) 0.0214(7) -0.0012(5) 0.0102(6) -0.0003(6) C1 0.020(3) 0.023(3) 0.024(3) 0.001(2) 0.010(2) 0.002(2) C2 0.028(3) 0.023(3) 0.032(3) 0.003(2) 0.011(3) 0.002(3) C3 0.035(4) 0.027(3) 0.047(4) 0.016(3) 0.012(3) 0.004(3) C4 0.041(4) 0.025(3) 0.052(4) 0.012(3) 0.022(4) 0.012(3) C5 0.054(5) 0.027(3) 0.037(4) -0.002(3) 0.023(4) 0.001(3) C6 0.032(3) 0.025(3) 0.026(3) 0.000(2) 0.011(3) -0.002(3) C7 0.022(3) 0.022(3) 0.023(3) -0.003(2) 0.011(2) -0.004(2) C8 0.023(3) 0.029(3) 0.034(4) -0.002(3) 0.008(3) -0.003(3) C9 0.055(5) 0.021(3) 0.052(4) -0.004(3) 0.034(4) -0.008(3) C10 0.043(4) 0.041(4) 0.040(4) -0.016(3) 0.017(3) -0.027(3) C11 0.025(3) 0.059(5) 0.041(4) 0.002(4) 0.005(3) -0.019(3) C12 0.025(3) 0.039(4) 0.037(4) 0.004(3) 0.006(3) -0.004(3) C13 0.020(3) 0.032(3) 0.025(3) 0.000(2) 0.011(3) 0.000(2) C14 0.031(4) 0.037(4) 0.042(4) -0.004(3) 0.004(3) 0.004(3) C15 0.035(4) 0.060(5) 0.061(6) 0.004(4) 0.007(4) 0.013(4) C16 0.025(4) 0.077(6) 0.042(4) 0.002(4) 0.000(3) -0.003(4) C17 0.038(4) 0.055(5) 0.030(4) -0.008(3) 0.012(3) -0.010(4) C18 0.026(3) 0.036(3) 0.033(4) -0.005(3) 0.013(3) -0.004(3) C19 0.028(3) 0.023(3) 0.024(3) 0.000(2) 0.014(3) -0.001(2) C20 0.029(3) 0.036(4) 0.038(4) 0.006(3) 0.018(3) -0.001(3) C21 0.043(4) 0.046(4) 0.041(4) 0.007(3) 0.024(4) -0.007(3) C22 0.044(4) 0.032(4) 0.046(4) 0.014(3) 0.013(4) -0.006(3) C23 0.026(4) 0.044(4) 0.059(5) 0.023(4) 0.011(3) 0.008(3) C24 0.024(3) 0.034(4) 0.049(4) 0.012(3) 0.013(3) -0.004(3) C25 0.018(3) 0.027(3) 0.034(3) -0.008(3) 0.014(3) -0.001(2) C26 0.041(4) 0.037(4) 0.035(4) -0.006(3) 0.022(3) -0.007(3) C27 0.070(6) 0.060(5) 0.046(5) -0.021(4) 0.040(5) -0.013(4) C28 0.054(5) 0.049(5) 0.067(6) -0.035(4) 0.035(5) -0.010(4) C29 0.031(4) 0.032(4) 0.059(5) -0.013(3) 0.021(4) -0.004(3) C30 0.027(3) 0.035(4) 0.038(4) -0.005(3) 0.013(3) 0.000(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 Pt P1 2.2688(19) 2_655 ? Pt P1 2.3221(16) . ? Pt P2 2.3374(17) . ? Pt I 2.6536(16) . ? P1 C1 1.817(6) . ? P1 C7 1.823(6) . ? P1 Pt 2.2688(19) 2_655 ? P2 C25 1.819(6) . ? P2 C13 1.836(7) . ? P2 C19 1.842(6) . ? C1 C2 1.390(8) . ? C1 C6 1.407(8) . ? C2 C3 1.377(9) . ? C2 H2 0.9500 . ? C3 C4 1.372(10) . ? C3 H3 0.9500 . ? C4 C5 1.375(10) . ? C4 H4 0.9500 . ? C5 C6 1.376(9) . ? C5 H5 0.9500 . ? C6 H6 0.9500 . ? C7 C12 1.380(8) . ? C7 C8 1.408(8) . ? C8 C9 1.380(9) . ? C8 H8 0.9500 . ? C9 C10 1.400(10) . ? C9 H9 0.9500 . ? C10 C11 1.362(11) . ? C10 H10 0.9500 . ? C11 C12 1.381(9) . ? C11 H11 0.9500 . ? C12 H12 0.9500 . ? C13 C14 1.388(9) . ? C13 C18 1.392(9) . ? C14 C15 1.394(11) . ? C14 H14 0.9500 . ? C15 C16 1.362(12) . ? C15 H15 0.9500 . ? C16 C17 1.370(11) . ? C16 H16 0.9500 . ? C17 C18 1.396(10) . ? C17 H17 0.9500 . ? C18 H18 0.9500 . ? C19 C24 1.364(8) . ? C19 C20 1.399(8) . ? C20 C21 1.379(9) . ? C20 H20 0.9500 . ? C21 C22 1.376(10) . ? C21 H21 0.9500 . ? C22 C23 1.376(9) . ? C22 H22 0.9500 . ? C23 C24 1.392(9) . ? C23 H23 0.9500 . ? C24 H24 0.9500 . ? C25 C26 1.378(9) . ? C25 C30 1.396(9) . ? C26 C27 1.393(9) . ? C26 H26 0.9500 . ? C27 C28 1.377(11) . ? C27 H27 0.9500 . ? C28 C29 1.368(11) . ? C28 H28 0.9500 . ? C29 C30 1.371(9) . ? C29 H29 0.9500 . ? C30 H30 0.9500 . ? 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 P1 Pt P1 75.30(7) 2_655 . ? P1 Pt P2 100.58(7) 2_655 . ? P1 Pt P2 170.09(5) . . ? P1 Pt I 166.17(4) 2_655 . ? P1 Pt I 94.19(5) . . ? P2 Pt I 91.18(5) . . ? C1 P1 C7 111.1(3) . . ? C1 P1 Pt 111.88(19) . 2_655 ? C7 P1 Pt 109.43(19) . 2_655 ? C1 P1 Pt 106.59(18) . . ? C7 P1 Pt 114.16(18) . . ? Pt P1 Pt 103.49(7) 2_655 . ? C25 P2 C13 104.1(3) . . ? C25 P2 C19 106.1(3) . . ? C13 P2 C19 102.1(3) . . ? C25 P2 Pt 111.71(19) . . ? C13 P2 Pt 120.90(19) . . ? C19 P2 Pt 110.65(19) . . ? C2 C1 C6 118.3(5) . . ? C2 C1 P1 123.1(4) . . ? C6 C1 P1 118.5(4) . . ? C3 C2 C1 120.7(6) . . ? C3 C2 H2 119.7 . . ? C1 C2 H2 119.7 . . ? C4 C3 C2 120.1(6) . . ? C4 C3 H3 120.0 . . ? C2 C3 H3 120.0 . . ? C3 C4 C5 120.3(6) . . ? C3 C4 H4 119.9 . . ? C5 C4 H4 119.9 . . ? C4 C5 C6 120.5(6) . . ? C4 C5 H5 119.8 . . ? C6 C5 H5 119.8 . . ? C5 C6 C1 119.9(6) . . ? C5 C6 H6 120.0 . . ? C1 C6 H6 120.0 . . ? C12 C7 C8 118.8(5) . . ? C12 C7 P1 125.7(5) . . ? C8 C7 P1 115.5(4) . . ? C9 C8 C7 120.4(6) . . ? C9 C8 H8 119.8 . . ? C7 C8 H8 119.8 . . ? C8 C9 C10 119.6(6) . . ? C8 C9 H9 120.2 . . ? C10 C9 H9 120.2 . . ? C11 C10 C9 119.5(6) . . ? C11 C10 H10 120.3 . . ? C9 C10 H10 120.3 . . ? C10 C11 C12 121.4(7) . . ? C10 C11 H11 119.3 . . ? C12 C11 H11 119.3 . . ? C7 C12 C11 120.2(6) . . ? C7 C12 H12 119.9 . . ? C11 C12 H12 119.9 . . ? C14 C13 C18 118.3(6) . . ? C14 C13 P2 121.8(5) . . ? C18 C13 P2 119.9(5) . . ? C13 C14 C15 120.5(7) . . ? C13 C14 H14 119.7 . . ? C15 C14 H14 119.7 . . ? C16 C15 C14 121.0(7) . . ? C16 C15 H15 119.5 . . ? C14 C15 H15 119.5 . . ? C15 C16 C17 119.0(7) . . ? C15 C16 H16 120.5 . . ? C17 C16 H16 120.5 . . ? C16 C17 C18 121.3(7) . . ? C16 C17 H17 119.3 . . ? C18 C17 H17 119.3 . . ? C13 C18 C17 119.8(6) . . ? C13 C18 H18 120.1 . . ? C17 C18 H18 120.1 . . ? C24 C19 C20 119.5(6) . . ? C24 C19 P2 120.2(4) . . ? C20 C19 P2 120.3(5) . . ? C21 C20 C19 119.9(6) . . ? C21 C20 H20 120.0 . . ? C19 C20 H20 120.0 . . ? C22 C21 C20 120.5(6) . . ? C22 C21 H21 119.7 . . ? C20 C21 H21 119.7 . . ? C23 C22 C21 119.2(6) . . ? C23 C22 H22 120.4 . . ? C21 C22 H22 120.4 . . ? C22 C23 C24 120.8(6) . . ? C22 C23 H23 119.6 . . ? C24 C23 H23 119.6 . . ? C19 C24 C23 119.9(6) . . ? C19 C24 H24 120.0 . . ? C23 C24 H24 120.0 . . ? C26 C25 C30 118.4(6) . . ? C26 C25 P2 123.8(5) . . ? C30 C25 P2 117.7(5) . . ? C25 C26 C27 119.7(6) . . ? C25 C26 H26 120.1 . . ? C27 C26 H26 120.1 . . ? C28 C27 C26 120.2(7) . . ? C28 C27 H27 119.9 . . ? C26 C27 H27 119.9 . . ? C29 C28 C27 120.9(6) . . ? C29 C28 H28 119.6 . . ? C27 C28 H28 119.6 . . ? C28 C29 C30 118.7(7) . . ? C28 C29 H29 120.7 . . ? C30 C29 H29 120.7 . . ? C29 C30 C25 122.1(6) . . ? C29 C30 H30 119.0 . . ? C25 C30 H30 119.0 . . ? 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 P1 Pt P1 C1 106.1(2) 2_655 . . . ? P2 Pt P1 C1 39.6(4) . . . . ? I Pt P1 C1 -83.0(2) . . . . ? P1 Pt P1 C7 -130.9(2) 2_655 . . . ? P2 Pt P1 C7 162.6(3) . . . . ? I Pt P1 C7 40.0(2) . . . . ? P1 Pt P1 Pt -12.05(7) 2_655 . . 2_655 ? P2 Pt P1 Pt -78.6(3) . . . 2_655 ? I Pt P1 Pt 158.83(5) . . . 2_655 ? P1 Pt P2 C25 130.0(2) 2_655 . . . ? P1 Pt P2 C25 -165.5(3) . . . . ? I Pt P2 C25 -42.7(2) . . . . ? P1 Pt P2 C13 7.0(2) 2_655 . . . ? P1 Pt P2 C13 71.5(4) . . . . ? I Pt P2 C13 -165.7(2) . . . . ? P1 Pt P2 C19 -112.1(2) 2_655 . . . ? P1 Pt P2 C19 -47.6(4) . . . . ? I Pt P2 C19 75.2(2) . . . . ? C7 P1 C1 C2 -51.1(5) . . . . ? Pt P1 C1 C2 -173.7(4) 2_655 . . . ? Pt P1 C1 C2 73.8(5) . . . . ? C7 P1 C1 C6 131.5(5) . . . . ? Pt P1 C1 C6 8.9(5) 2_655 . . . ? Pt P1 C1 C6 -103.6(4) . . . . ? C6 C1 C2 C3 -6.4(9) . . . . ? P1 C1 C2 C3 176.2(5) . . . . ? C1 C2 C3 C4 3.4(10) . . . . ? C2 C3 C4 C5 1.3(10) . . . . ? C3 C4 C5 C6 -2.7(10) . . . . ? C4 C5 C6 C1 -0.4(10) . . . . ? C2 C1 C6 C5 4.9(9) . . . . ? P1 C1 C6 C5 -177.6(5) . . . . ? C1 P1 C7 C12 12.3(6) . . . . ? Pt P1 C7 C12 136.3(5) 2_655 . . . ? Pt P1 C7 C12 -108.2(5) . . . . ? C1 P1 C7 C8 -167.7(4) . . . . ? Pt P1 C7 C8 -43.6(5) 2_655 . . . ? Pt P1 C7 C8 71.8(5) . . . . ? C12 C7 C8 C9 0.5(9) . . . . ? P1 C7 C8 C9 -179.5(5) . . . . ? C7 C8 C9 C10 1.0(10) . . . . ? C8 C9 C10 C11 -1.7(10) . . . . ? C9 C10 C11 C12 0.8(11) . . . . ? C8 C7 C12 C11 -1.4(10) . . . . ? P1 C7 C12 C11 178.6(5) . . . . ? C10 C11 C12 C7 0.7(11) . . . . ? C25 P2 C13 C14 -19.1(6) . . . . ? C19 P2 C13 C14 -129.3(6) . . . . ? Pt P2 C13 C14 107.4(5) . . . . ? C25 P2 C13 C18 160.4(5) . . . . ? C19 P2 C13 C18 50.2(5) . . . . ? Pt P2 C13 C18 -73.1(5) . . . . ? C18 C13 C14 C15 0.0(10) . . . . ? P2 C13 C14 C15 179.5(6) . . . . ? C13 C14 C15 C16 1.0(13) . . . . ? C14 C15 C16 C17 -0.6(13) . . . . ? C15 C16 C17 C18 -0.9(12) . . . . ? C14 C13 C18 C17 -1.5(9) . . . . ? P2 C13 C18 C17 179.0(5) . . . . ? C16 C17 C18 C13 1.9(11) . . . . ? C25 P2 C19 C24 104.1(6) . . . . ? C13 P2 C19 C24 -147.2(5) . . . . ? Pt P2 C19 C24 -17.3(6) . . . . ? C25 P2 C19 C20 -76.9(6) . . . . ? C13 P2 C19 C20 31.9(6) . . . . ? Pt P2 C19 C20 161.8(5) . . . . ? C24 C19 C20 C21 -0.3(10) . . . . ? P2 C19 C20 C21 -179.4(5) . . . . ? C19 C20 C21 C22 -0.7(11) . . . . ? C20 C21 C22 C23 0.4(12) . . . . ? C21 C22 C23 C24 1.0(12) . . . . ? C20 C19 C24 C23 1.7(11) . . . . ? P2 C19 C24 C23 -179.2(6) . . . . ? C22 C23 C24 C19 -2.0(12) . . . . ? C13 P2 C25 C26 -101.5(6) . . . . ? C19 P2 C25 C26 5.7(6) . . . . ? Pt P2 C25 C26 126.4(5) . . . . ? C13 P2 C25 C30 82.4(5) . . . . ? C19 P2 C25 C30 -170.4(5) . . . . ? Pt P2 C25 C30 -49.7(5) . . . . ? C30 C25 C26 C27 0.6(10) . . . . ? P2 C25 C26 C27 -175.5(6) . . . . ? C25 C26 C27 C28 -0.6(12) . . . . ? C26 C27 C28 C29 -0.5(13) . . . . ? C27 C28 C29 C30 1.5(12) . . . . ? C28 C29 C30 C25 -1.5(10) . . . . ? C26 C25 C30 C29 0.5(10) . . . . ? P2 C25 C30 C29 176.8(5) . . . . ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 30.01 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 1.023 _refine_diff_density_min -2.938 _refine_diff_density_rms 0.478