# Electronic Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2011 data_global _journal_name_full 'Dalton Trans.' _journal_coden_cambridge 0222 _journal_year ? _journal_volume ? _journal_page_first ? _publ_contact_author_name 'Mina Mazzeo' _publ_contact_author_email mmazzeo@unisa.it loop_ _publ_author_name M.Mazzeo M.Strianese O.Kuhl J.Peters data_mm2ct _database_code_depnum_ccdc_archive 'CCDC 837134' #TrackingRef '- mm2ct_sav.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C24 H36 Cl P3 Pt' _chemical_formula_sum 'C24 H36 Cl P3 Pt' _chemical_formula_weight 647.98 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/c' _symmetry_space_group_name_Hall '-P 2ybc' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 11.612(2) _cell_length_b 14.046(2) _cell_length_c 30.941(5) _cell_angle_alpha 90.00 _cell_angle_beta 92.196(17) _cell_angle_gamma 90.00 _cell_volume 5042.7(14) _cell_formula_units_Z 8 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 21280 _cell_measurement_theta_min 1.59 _cell_measurement_theta_max 36.17 _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.27 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.17 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.707 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2560 _exptl_absorpt_coefficient_mu 5.871 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.248 _exptl_absorpt_correction_T_max 0.375 _exptl_absorpt_process_details 'Blessing 1995' _exptl_special_details ; ? ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator ? _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 89412 _diffrn_reflns_av_R_equivalents 0.0712 _diffrn_reflns_av_sigmaI/netI 0.0626 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_l_min -41 _diffrn_reflns_limit_l_max 46 _diffrn_reflns_theta_min 1.59 _diffrn_reflns_theta_max 36.17 _reflns_number_total 21280 _reflns_number_gt 15846 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. High minimum residual density has been detected, since all atomic sites have been identified correctly, they could be ascribed to Fourier truncation problems. ; _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^)+(0.0000P)^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 21280 _refine_ls_number_parameters 539 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0792 _refine_ls_R_factor_gt 0.0551 _refine_ls_wR_factor_ref 0.0925 _refine_ls_wR_factor_gt 0.0881 _refine_ls_goodness_of_fit_ref 1.504 _refine_ls_restrained_S_all 1.504 _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 Pt1 Pt 0.557368(11) 0.323439(11) 0.101142(5) 0.01059(4) Uani 1 1 d . . . P1 P 0.47516(8) 0.44848(7) 0.13387(3) 0.01121(19) Uani 1 1 d . . . P2 P 0.70669(8) 0.42822(7) 0.08992(3) 0.01124(19) Uani 1 1 d . . . P3 P 0.40940(8) 0.23536(7) 0.12680(4) 0.01187(19) Uani 1 1 d . . . Cl1 Cl 0.63379(9) 0.18855(7) 0.06446(4) 0.0214(2) Uani 1 1 d . . . C1 C 0.5984(3) 0.5131(3) 0.15861(14) 0.0131(8) Uani 1 1 d . . . C2 C 0.5965(4) 0.5710(3) 0.19497(15) 0.0175(8) Uani 1 1 d . . . H2 H 0.5312 0.5695 0.2125 0.021 Uiso 1 1 calc R . . C3 C 0.6880(4) 0.6309(3) 0.20622(15) 0.0191(9) Uani 1 1 d . . . H3 H 0.6856 0.6681 0.2318 0.023 Uiso 1 1 calc R . . C4 C 0.7825(4) 0.6368(3) 0.18048(15) 0.0195(9) Uani 1 1 d . . . H4 H 0.8427 0.6808 0.1872 0.023 Uiso 1 1 calc R . . C5 C 0.7884(3) 0.5782(3) 0.14490(15) 0.0177(9) Uani 1 1 d . . . H5 H 0.8542 0.5807 0.1276 0.021 Uiso 1 1 calc R . . C6 C 0.6981(3) 0.5145(3) 0.13373(14) 0.0146(8) Uani 1 1 d . . . C7 C 0.8550(3) 0.3823(3) 0.09577(15) 0.0166(8) Uani 1 1 d . . . H7 H 0.9081 0.4383 0.0977 0.020 Uiso 1 1 calc R . . C8 C 0.8702(4) 0.3266(4) 0.13814(17) 0.0281(11) Uani 1 1 d . . . H8A H 0.8150 0.2738 0.1382 0.042 Uiso 1 1 calc R . . H8B H 0.8566 0.3690 0.1626 0.042 Uiso 1 1 calc R . . H8C H 0.9489 0.3013 0.1408 0.042 Uiso 1 1 calc R . . C9 C 0.8886(4) 0.3224(3) 0.05652(17) 0.0252(10) Uani 1 1 d . . . H9A H 0.9691 0.3021 0.0603 0.038 Uiso 1 1 calc R . . H9B H 0.8794 0.3608 0.0302 0.038 Uiso 1 1 calc R . . H9C H 0.8387 0.2663 0.0541 0.038 Uiso 1 1 calc R . . C10 C 0.7008(3) 0.4965(3) 0.03903(14) 0.0158(8) Uani 1 1 d . . . H10 H 0.6924 0.4497 0.0148 0.019 Uiso 1 1 calc R . . C11 C 0.8076(4) 0.5566(3) 0.03102(16) 0.0229(10) Uani 1 1 d . . . H11A H 0.8009 0.5845 0.0020 0.034 Uiso 1 1 calc R . . H11B H 0.8764 0.5163 0.0333 0.034 Uiso 1 1 calc R . . H11C H 0.8139 0.6077 0.0526 0.034 Uiso 1 1 calc R . . C12 C 0.5935(4) 0.5602(3) 0.03711(16) 0.0235(10) Uani 1 1 d . . . H12A H 0.5995 0.6076 0.0603 0.035 Uiso 1 1 calc R . . H12B H 0.5247 0.5211 0.0407 0.035 Uiso 1 1 calc R . . H12C H 0.5878 0.5926 0.0091 0.035 Uiso 1 1 calc R . . C13 C 0.3854(3) 0.3977(3) 0.17574(13) 0.0121(7) Uani 1 1 d . . . C14 C 0.3349(3) 0.4547(3) 0.20760(14) 0.0164(8) Uani 1 1 d . . . H14 H 0.3612 0.5180 0.2123 0.020 Uiso 1 1 calc R . . C15 C 0.2468(4) 0.4183(3) 0.23209(15) 0.0207(9) Uani 1 1 d . . . H15 H 0.2170 0.4557 0.2547 0.025 Uiso 1 1 calc R . . C16 C 0.2017(4) 0.3275(3) 0.22383(15) 0.0208(9) Uani 1 1 d . . . H16 H 0.1395 0.3042 0.2398 0.025 Uiso 1 1 calc R . . C17 C 0.2488(4) 0.2721(3) 0.19211(15) 0.0176(9) Uani 1 1 d . . . H17 H 0.2174 0.2109 0.1859 0.021 Uiso 1 1 calc R . . C18 C 0.3429(3) 0.3052(3) 0.16886(14) 0.0148(8) Uani 1 1 d . . . C19 C 0.4609(4) 0.1226(3) 0.15145(14) 0.0147(8) Uani 1 1 d . . . H19 H 0.5076 0.0897 0.1295 0.018 Uiso 1 1 calc R . . C20 C 0.5426(4) 0.1456(3) 0.18991(15) 0.0207(9) Uani 1 1 d . . . H20A H 0.4995 0.1762 0.2127 0.031 Uiso 1 1 calc R . . H20B H 0.6033 0.1887 0.1806 0.031 Uiso 1 1 calc R . . H20C H 0.5776 0.0866 0.2011 0.031 Uiso 1 1 calc R . . C21 C 0.3672(4) 0.0522(3) 0.16468(16) 0.0226(10) Uani 1 1 d . . . H21A H 0.4025 -0.0095 0.1716 0.034 Uiso 1 1 calc R . . H21B H 0.3103 0.0445 0.1407 0.034 Uiso 1 1 calc R . . H21C H 0.3291 0.0768 0.1901 0.034 Uiso 1 1 calc R . . C22 C 0.2902(4) 0.2056(3) 0.08844(15) 0.0200(9) Uani 1 1 d . . . H22 H 0.2307 0.1699 0.1045 0.024 Uiso 1 1 calc R . . C23 C 0.2357(4) 0.2967(4) 0.07107(18) 0.0321(12) Uani 1 1 d . . . H23A H 0.2949 0.3365 0.0584 0.048 Uiso 1 1 calc R . . H23B H 0.2008 0.3314 0.0947 0.048 Uiso 1 1 calc R . . H23C H 0.1762 0.2811 0.0489 0.048 Uiso 1 1 calc R . . C24 C 0.3318(4) 0.1416(4) 0.05230(16) 0.0318(12) Uani 1 1 d . . . H24A H 0.2654 0.1198 0.0344 0.048 Uiso 1 1 calc R . . H24B H 0.3722 0.0864 0.0649 0.048 Uiso 1 1 calc R . . H24C H 0.3843 0.1775 0.0343 0.048 Uiso 1 1 calc R . . Pt2 Pt 0.012564(11) 0.822615(11) 0.109560(5) 0.01036(4) Uani 1 1 d . . . P4 P 0.04018(8) 0.84505(7) 0.18116(4) 0.0126(2) Uani 1 1 d . . . P5 P 0.18491(8) 0.74311(7) 0.11298(4) 0.0126(2) Uani 1 1 d . . . P6 P -0.12400(8) 0.94071(7) 0.11264(3) 0.01027(19) Uani 1 1 d . . . Cl2 Cl -0.02407(8) 0.78148(7) 0.03506(3) 0.01568(19) Uani 1 1 d . . . C25 C 0.1966(3) 0.8348(3) 0.19247(13) 0.0128(7) Uani 1 1 d . . . C26 C 0.2506(3) 0.8615(3) 0.23152(14) 0.0157(8) Uani 1 1 d . . . H26 H 0.2076 0.8940 0.2525 0.019 Uiso 1 1 calc R . . C27 C 0.3667(3) 0.8413(3) 0.24052(15) 0.0166(8) Uani 1 1 d . . . H27 H 0.4030 0.8626 0.2668 0.020 Uiso 1 1 calc R . . C28 C 0.4286(3) 0.7902(3) 0.21117(15) 0.0185(9) Uani 1 1 d . . . H28 H 0.5078 0.7770 0.2172 0.022 Uiso 1 1 calc R . . C29 C 0.3759(3) 0.7584(3) 0.17327(15) 0.0185(9) Uani 1 1 d . . . H29 H 0.4180 0.7202 0.1541 0.022 Uiso 1 1 calc R . . C30 C 0.2602(3) 0.7820(3) 0.16267(14) 0.0141(8) Uani 1 1 d . . . C31 C 0.1830(4) 0.6130(3) 0.11682(15) 0.0196(9) Uani 1 1 d . . . H31 H 0.2642 0.5898 0.1203 0.023 Uiso 1 1 calc R . . C32 C 0.1179(4) 0.5824(3) 0.15611(16) 0.0221(9) Uani 1 1 d . . . H32A H 0.0393 0.6077 0.1539 0.033 Uiso 1 1 calc R . . H32B H 0.1573 0.6070 0.1824 0.033 Uiso 1 1 calc R . . H32C H 0.1151 0.5127 0.1574 0.033 Uiso 1 1 calc R . . C33 C 0.1281(4) 0.5695(3) 0.07526(16) 0.0220(9) Uani 1 1 d . . . H33A H 0.1219 0.5004 0.0787 0.033 Uiso 1 1 calc R . . H33B H 0.1764 0.5839 0.0508 0.033 Uiso 1 1 calc R . . H33C H 0.0512 0.5966 0.0699 0.033 Uiso 1 1 calc R . . C34 C 0.2727(3) 0.7733(3) 0.06641(14) 0.0155(8) Uani 1 1 d . . . H34 H 0.2211 0.7647 0.0401 0.019 Uiso 1 1 calc R . . C35 C 0.3788(4) 0.7109(3) 0.05938(16) 0.0220(9) Uani 1 1 d . . . H35A H 0.4387 0.7256 0.0815 0.033 Uiso 1 1 calc R . . H35B H 0.4081 0.7237 0.0307 0.033 Uiso 1 1 calc R . . H35C H 0.3573 0.6436 0.0614 0.033 Uiso 1 1 calc R . . C36 C 0.3061(4) 0.8786(3) 0.06734(15) 0.0199(9) Uani 1 1 d . . . H36A H 0.3630 0.8899 0.0910 0.030 Uiso 1 1 calc R . . H36B H 0.2375 0.9174 0.0718 0.030 Uiso 1 1 calc R . . H36C H 0.3394 0.8961 0.0398 0.030 Uiso 1 1 calc R . . C37 C -0.0061(3) 0.9683(3) 0.19137(13) 0.0131(7) Uani 1 1 d . . . C38 C 0.0274(4) 1.0246(3) 0.22730(14) 0.0176(8) Uani 1 1 d . . . H38 H 0.0890 1.0039 0.2461 0.021 Uiso 1 1 calc R . . C39 C -0.0282(4) 1.1100(3) 0.23584(14) 0.0183(9) Uani 1 1 d . . . H39 H -0.0016 1.1486 0.2594 0.022 Uiso 1 1 calc R . . C40 C -0.1214(4) 1.1388(3) 0.21027(14) 0.0166(8) Uani 1 1 d . . . H40 H -0.1630 1.1945 0.2174 0.020 Uiso 1 1 calc R . . C41 C -0.1540(3) 1.0857(3) 0.17398(14) 0.0153(8) Uani 1 1 d . . . H41 H -0.2171 1.1063 0.1559 0.018 Uiso 1 1 calc R . . C42 C -0.0958(3) 1.0029(3) 0.16380(13) 0.0119(7) Uani 1 1 d . . . C43 C -0.2801(3) 0.9158(3) 0.10824(13) 0.0126(7) Uani 1 1 d . . . H43 H -0.3200 0.9748 0.0975 0.015 Uiso 1 1 calc R . . C44 C -0.3047(4) 0.8364(4) 0.07508(17) 0.0270(11) Uani 1 1 d . . . H44A H -0.2734 0.7761 0.0863 0.040 Uiso 1 1 calc R . . H44B H -0.2682 0.8522 0.0479 0.040 Uiso 1 1 calc R . . H44C H -0.3881 0.8302 0.0698 0.040 Uiso 1 1 calc R . . C45 C -0.3303(4) 0.8889(3) 0.15145(16) 0.0234(10) Uani 1 1 d . . . H45A H -0.4127 0.8752 0.1472 0.035 Uiso 1 1 calc R . . H45B H -0.3198 0.9419 0.1718 0.035 Uiso 1 1 calc R . . H45C H -0.2906 0.8324 0.1631 0.035 Uiso 1 1 calc R . . C46 C -0.1017(3) 1.0399(3) 0.07438(13) 0.0126(7) Uani 1 1 d . . . H46 H -0.1477 1.0950 0.0847 0.015 Uiso 1 1 calc R . . C47 C -0.1444(4) 1.0188(3) 0.02827(14) 0.0178(8) Uani 1 1 d . . . H47A H -0.1286 1.0735 0.0098 0.027 Uiso 1 1 calc R . . H47B H -0.2275 1.0066 0.0278 0.027 Uiso 1 1 calc R . . H47C H -0.1045 0.9625 0.0175 0.027 Uiso 1 1 calc R . . C48 C 0.0242(3) 1.0706(3) 0.07641(15) 0.0173(8) Uani 1 1 d . . . H48A H 0.0731 1.0161 0.0697 0.026 Uiso 1 1 calc R . . H48B H 0.0448 1.0940 0.1055 0.026 Uiso 1 1 calc R . . H48C H 0.0356 1.1214 0.0553 0.026 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Pt1 0.01075(6) 0.00973(7) 0.01141(8) -0.00183(5) 0.00200(5) -0.00130(5) P1 0.0108(4) 0.0111(5) 0.0119(5) -0.0012(4) 0.0018(4) -0.0009(3) P2 0.0105(4) 0.0115(5) 0.0117(5) -0.0016(4) 0.0016(4) -0.0009(3) P3 0.0128(4) 0.0117(5) 0.0111(5) 0.0014(4) 0.0006(4) -0.0018(4) Cl1 0.0218(4) 0.0148(5) 0.0280(6) -0.0090(4) 0.0074(4) -0.0005(4) C1 0.0138(16) 0.0116(18) 0.014(2) -0.0014(14) 0.0015(14) -0.0008(14) C2 0.0194(18) 0.014(2) 0.019(2) -0.0047(16) 0.0037(16) 0.0013(15) C3 0.025(2) 0.017(2) 0.015(2) -0.0062(16) -0.0018(17) 0.0018(16) C4 0.0193(19) 0.017(2) 0.021(3) -0.0061(17) -0.0072(17) -0.0015(16) C5 0.0138(17) 0.017(2) 0.022(2) -0.0041(16) 0.0003(16) -0.0038(15) C6 0.0162(17) 0.016(2) 0.012(2) -0.0011(14) -0.0005(15) -0.0011(15) C7 0.0094(15) 0.017(2) 0.024(2) -0.0034(16) 0.0031(15) 0.0009(14) C8 0.023(2) 0.031(3) 0.030(3) 0.010(2) -0.0006(19) 0.007(2) C9 0.0202(19) 0.024(2) 0.033(3) -0.003(2) 0.0103(19) 0.0034(18) C10 0.0184(18) 0.018(2) 0.011(2) -0.0004(15) 0.0008(15) -0.0030(15) C11 0.023(2) 0.023(2) 0.023(3) 0.0081(18) 0.0026(18) -0.0055(17) C12 0.022(2) 0.027(2) 0.021(3) 0.0092(18) -0.0006(18) 0.0023(18) C13 0.0133(16) 0.0127(18) 0.010(2) -0.0004(14) 0.0004(14) 0.0038(14) C14 0.0140(16) 0.019(2) 0.017(2) -0.0037(16) 0.0033(15) 0.0016(15) C15 0.0211(19) 0.024(2) 0.017(2) 0.0002(17) 0.0018(17) 0.0084(17) C16 0.0172(17) 0.026(2) 0.019(2) 0.0113(18) 0.0073(16) 0.0056(17) C17 0.0208(19) 0.014(2) 0.019(2) 0.0068(16) 0.0062(17) 0.0017(15) C18 0.0156(16) 0.016(2) 0.013(2) 0.0030(14) 0.0027(15) 0.0053(14) C19 0.0214(19) 0.0103(18) 0.013(2) -0.0022(14) 0.0022(16) 0.0040(15) C20 0.024(2) 0.021(2) 0.017(2) -0.0006(17) -0.0019(18) 0.0049(17) C21 0.030(2) 0.014(2) 0.024(3) 0.0037(17) 0.0043(19) -0.0036(17) C22 0.0175(18) 0.025(2) 0.017(2) 0.0062(17) -0.0026(16) -0.0121(16) C23 0.022(2) 0.042(3) 0.031(3) 0.017(2) -0.010(2) -0.006(2) C24 0.032(2) 0.050(3) 0.014(3) -0.006(2) -0.002(2) -0.020(2) Pt2 0.01073(6) 0.01154(7) 0.00882(8) -0.00105(5) 0.00039(5) 0.00257(5) P4 0.0123(4) 0.0151(5) 0.0103(5) -0.0013(4) 0.0000(4) 0.0034(4) P5 0.0130(4) 0.0141(5) 0.0106(6) -0.0012(4) 0.0009(4) 0.0033(4) P6 0.0110(4) 0.0119(5) 0.0080(5) -0.0004(3) 0.0006(4) 0.0011(3) Cl2 0.0186(4) 0.0175(5) 0.0109(5) -0.0035(3) -0.0004(4) 0.0032(4) C25 0.0124(15) 0.015(2) 0.011(2) 0.0030(14) 0.0007(14) 0.0016(14) C26 0.0161(17) 0.018(2) 0.013(2) 0.0002(15) -0.0009(15) 0.0006(15) C27 0.0187(18) 0.014(2) 0.016(2) 0.0043(15) -0.0056(16) -0.0003(14) C28 0.0146(17) 0.023(2) 0.017(2) 0.0081(17) -0.0034(16) 0.0015(16) C29 0.0134(17) 0.024(2) 0.018(2) 0.0046(17) -0.0003(16) 0.0050(16) C30 0.0129(16) 0.0157(19) 0.014(2) 0.0023(15) -0.0005(15) 0.0015(14) C31 0.0146(17) 0.019(2) 0.025(3) -0.0005(17) 0.0013(17) 0.0054(16) C32 0.0200(19) 0.022(2) 0.024(3) 0.0078(18) 0.0017(18) 0.0016(17) C33 0.025(2) 0.016(2) 0.025(3) -0.0033(17) -0.0001(19) -0.0003(17) C34 0.0126(16) 0.022(2) 0.012(2) -0.0005(16) 0.0033(15) 0.0036(15) C35 0.0189(19) 0.022(2) 0.025(3) -0.0008(18) 0.0079(18) 0.0013(17) C36 0.0201(19) 0.019(2) 0.020(2) 0.0016(17) 0.0012(17) 0.0009(16) C37 0.0130(15) 0.0158(19) 0.011(2) -0.0009(14) 0.0042(14) 0.0011(14) C38 0.0185(18) 0.023(2) 0.012(2) -0.0036(16) -0.0017(16) 0.0001(16) C39 0.023(2) 0.017(2) 0.014(2) -0.0060(16) 0.0005(17) 0.0029(16) C40 0.024(2) 0.015(2) 0.011(2) -0.0020(15) 0.0043(16) 0.0029(16) C41 0.0197(18) 0.015(2) 0.011(2) -0.0002(14) 0.0035(15) 0.0018(15) C42 0.0143(16) 0.0138(19) 0.008(2) -0.0015(13) 0.0004(14) -0.0007(13) C43 0.0128(16) 0.017(2) 0.008(2) 0.0017(14) -0.0010(14) 0.0004(14) C44 0.0189(19) 0.032(3) 0.030(3) -0.011(2) 0.0030(19) -0.0072(18) C45 0.020(2) 0.029(3) 0.022(3) 0.0015(19) 0.0066(18) -0.0034(18) C46 0.0135(16) 0.0127(18) 0.012(2) 0.0012(14) 0.0024(14) 0.0006(14) C47 0.0221(19) 0.021(2) 0.010(2) 0.0027(15) -0.0007(16) 0.0031(16) C48 0.0172(18) 0.018(2) 0.017(2) 0.0016(16) 0.0044(16) -0.0029(15) _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 2.2573(11) . ? Pt1 P3 2.2842(11) . ? Pt1 P2 2.3107(10) . ? Pt1 Cl1 2.3963(10) . ? P1 C1 1.837(4) . ? P1 C13 1.837(4) . ? P2 C6 1.824(4) . ? P2 C7 1.842(4) . ? P2 C10 1.843(4) . ? P3 C18 1.825(4) . ? P3 C22 1.837(4) . ? P3 C19 1.847(4) . ? C1 C2 1.389(6) . ? C1 C6 1.415(6) . ? C2 C3 1.389(6) . ? C2 H2 0.9500 . ? C3 C4 1.384(7) . ? C3 H3 0.9500 . ? C4 C5 1.379(6) . ? C4 H4 0.9500 . ? C5 C6 1.410(5) . ? C5 H5 0.9500 . ? C7 C8 1.531(6) . ? C7 C9 1.539(6) . ? C7 H7 1.0000 . ? C8 H8A 0.9800 . ? C8 H8B 0.9800 . ? C8 H8C 0.9800 . ? C9 H9A 0.9800 . ? C9 H9B 0.9800 . ? C9 H9C 0.9800 . ? C10 C11 1.528(6) . ? C10 C12 1.533(6) . ? C10 H10 1.0000 . ? C11 H11A 0.9800 . ? C11 H11B 0.9800 . ? C11 H11C 0.9800 . ? C12 H12A 0.9800 . ? C12 H12B 0.9800 . ? C12 H12C 0.9800 . ? C13 C18 1.404(6) . ? C13 C14 1.414(6) . ? C14 C15 1.393(6) . ? C14 H14 0.9500 . ? C15 C16 1.399(6) . ? C15 H15 0.9500 . ? C16 C17 1.382(6) . ? C16 H16 0.9500 . ? C17 C18 1.410(6) . ? C17 H17 0.9500 . ? C19 C20 1.528(6) . ? C19 C21 1.537(6) . ? C19 H19 1.0000 . ? C20 H20A 0.9800 . ? C20 H20B 0.9800 . ? C20 H20C 0.9800 . ? C21 H21A 0.9800 . ? C21 H21B 0.9800 . ? C21 H21C 0.9800 . ? C22 C23 1.517(6) . ? C22 C24 1.528(7) . ? C22 H22 1.0000 . ? C23 H23A 0.9800 . ? C23 H23B 0.9800 . ? C23 H23C 0.9800 . ? C24 H24A 0.9800 . ? C24 H24B 0.9800 . ? C24 H24C 0.9800 . ? Pt2 P4 2.2485(11) . ? Pt2 P5 2.2906(10) . ? Pt2 P6 2.2993(10) . ? Pt2 Cl2 2.3987(11) . ? P4 C25 1.842(4) . ? P4 C37 1.843(4) . ? P5 C30 1.823(4) . ? P5 C31 1.832(4) . ? P5 C34 1.846(4) . ? P6 C42 1.826(4) . ? P6 C43 1.846(4) . ? P6 C46 1.852(4) . ? C25 C26 1.391(6) . ? C25 C30 1.413(6) . ? C26 C27 1.395(6) . ? C26 H26 0.9500 . ? C27 C28 1.380(6) . ? C27 H27 0.9500 . ? C28 C29 1.376(6) . ? C28 H28 0.9500 . ? C29 C30 1.411(5) . ? C29 H29 0.9500 . ? C31 C32 1.518(6) . ? C31 C33 1.539(6) . ? C31 H31 1.0000 . ? C32 H32A 0.9800 . ? C32 H32B 0.9800 . ? C32 H32C 0.9800 . ? C33 H33A 0.9800 . ? C33 H33B 0.9800 . ? C33 H33C 0.9800 . ? C34 C36 1.530(6) . ? C34 C35 1.533(6) . ? C34 H34 1.0000 . ? C35 H35A 0.9800 . ? C35 H35B 0.9800 . ? C35 H35C 0.9800 . ? C36 H36A 0.9800 . ? C36 H36B 0.9800 . ? C36 H36C 0.9800 . ? C37 C38 1.407(6) . ? C37 C42 1.408(5) . ? C38 C39 1.392(6) . ? C38 H38 0.9500 . ? C39 C40 1.377(6) . ? C39 H39 0.9500 . ? C40 C41 1.389(6) . ? C40 H40 0.9500 . ? C41 C42 1.387(6) . ? C41 H41 0.9500 . ? C43 C45 1.526(6) . ? C43 C44 1.535(6) . ? C43 H43 1.0000 . ? C44 H44A 0.9800 . ? C44 H44B 0.9800 . ? C44 H44C 0.9800 . ? C45 H45A 0.9800 . ? C45 H45B 0.9800 . ? C45 H45C 0.9800 . ? C46 C47 1.521(6) . ? C46 C48 1.523(5) . ? C46 H46 1.0000 . ? C47 H47A 0.9800 . ? C47 H47B 0.9800 . ? C47 H47C 0.9800 . ? C48 H48A 0.9800 . ? C48 H48B 0.9800 . ? C48 H48C 0.9800 . ? 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 P3 85.92(4) . . ? P1 Pt1 P2 84.52(4) . . ? P3 Pt1 P2 167.42(4) . . ? P1 Pt1 Cl1 176.64(4) . . ? P3 Pt1 Cl1 91.92(4) . . ? P2 Pt1 Cl1 97.97(4) . . ? C1 P1 C13 110.59(19) . . ? C1 P1 Pt1 103.61(13) . . ? C13 P1 Pt1 106.00(13) . . ? C6 P2 C7 103.71(19) . . ? C6 P2 C10 106.73(19) . . ? C7 P2 C10 105.7(2) . . ? C6 P2 Pt1 104.42(14) . . ? C7 P2 Pt1 117.80(14) . . ? C10 P2 Pt1 117.17(13) . . ? C18 P3 C22 104.7(2) . . ? C18 P3 C19 107.80(19) . . ? C22 P3 C19 107.20(19) . . ? C18 P3 Pt1 107.54(14) . . ? C22 P3 Pt1 117.19(15) . . ? C19 P3 Pt1 111.84(14) . . ? C2 C1 C6 118.1(3) . . ? C2 C1 P1 126.2(3) . . ? C6 C1 P1 114.9(3) . . ? C1 C2 C3 121.5(4) . . ? C1 C2 H2 119.3 . . ? C3 C2 H2 119.3 . . ? C4 C3 C2 120.5(4) . . ? C4 C3 H3 119.7 . . ? C2 C3 H3 119.7 . . ? C5 C4 C3 119.2(4) . . ? C5 C4 H4 120.4 . . ? C3 C4 H4 120.4 . . ? C4 C5 C6 121.1(4) . . ? C4 C5 H5 119.5 . . ? C6 C5 H5 119.5 . . ? C5 C6 C1 119.4(4) . . ? C5 C6 P2 122.8(3) . . ? C1 C6 P2 117.6(3) . . ? C8 C7 C9 111.8(4) . . ? C8 C7 P2 109.9(3) . . ? C9 C7 P2 112.2(3) . . ? C8 C7 H7 107.6 . . ? C9 C7 H7 107.6 . . ? P2 C7 H7 107.6 . . ? C7 C8 H8A 109.5 . . ? C7 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? C7 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? C7 C9 H9A 109.5 . . ? C7 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? C7 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? C11 C10 C12 109.5(4) . . ? C11 C10 P2 115.0(3) . . ? C12 C10 P2 109.9(3) . . ? C11 C10 H10 107.4 . . ? C12 C10 H10 107.4 . . ? P2 C10 H10 107.4 . . ? C10 C11 H11A 109.5 . . ? C10 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? C10 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? C10 C12 H12A 109.5 . . ? C10 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? C10 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C18 C13 C14 118.4(4) . . ? C18 C13 P1 117.3(3) . . ? C14 C13 P1 122.3(3) . . ? C15 C14 C13 120.3(4) . . ? C15 C14 H14 119.8 . . ? C13 C14 H14 119.8 . . ? C14 C15 C16 120.8(4) . . ? C14 C15 H15 119.6 . . ? C16 C15 H15 119.6 . . ? C17 C16 C15 119.2(4) . . ? C17 C16 H16 120.4 . . ? C15 C16 H16 120.4 . . ? C16 C17 C18 120.8(4) . . ? C16 C17 H17 119.6 . . ? C18 C17 H17 119.6 . . ? C13 C18 C17 120.2(4) . . ? C13 C18 P3 116.7(3) . . ? C17 C18 P3 122.9(3) . . ? C20 C19 C21 110.7(4) . . ? C20 C19 P3 108.8(3) . . ? C21 C19 P3 116.1(3) . . ? C20 C19 H19 106.9 . . ? C21 C19 H19 106.9 . . ? P3 C19 H19 106.9 . . ? C19 C20 H20A 109.5 . . ? C19 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? C19 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? C19 C21 H21A 109.5 . . ? C19 C21 H21B 109.5 . . ? H21A C21 H21B 109.5 . . ? C19 C21 H21C 109.5 . . ? H21A C21 H21C 109.5 . . ? H21B C21 H21C 109.5 . . ? C23 C22 C24 112.1(4) . . ? C23 C22 P3 109.3(3) . . ? C24 C22 P3 110.8(3) . . ? C23 C22 H22 108.2 . . ? C24 C22 H22 108.2 . . ? P3 C22 H22 108.2 . . ? C22 C23 H23A 109.5 . . ? C22 C23 H23B 109.5 . . ? H23A C23 H23B 109.5 . . ? C22 C23 H23C 109.5 . . ? H23A C23 H23C 109.5 . . ? H23B C23 H23C 109.5 . . ? C22 C24 H24A 109.5 . . ? C22 C24 H24B 109.5 . . ? H24A C24 H24B 109.5 . . ? C22 C24 H24C 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? P4 Pt2 P5 86.07(4) . . ? P4 Pt2 P6 86.02(4) . . ? P5 Pt2 P6 162.27(4) . . ? P4 Pt2 Cl2 173.72(4) . . ? P5 Pt2 Cl2 92.84(4) . . ? P6 Pt2 Cl2 96.68(4) . . ? C25 P4 C37 109.42(18) . . ? C25 P4 Pt2 106.17(14) . . ? C37 P4 Pt2 105.60(13) . . ? C30 P5 C31 104.53(19) . . ? C30 P5 C34 109.17(19) . . ? C31 P5 C34 106.7(2) . . ? C30 P5 Pt2 106.43(13) . . ? C31 P5 Pt2 118.45(14) . . ? C34 P5 Pt2 111.09(13) . . ? C42 P6 C43 107.29(18) . . ? C42 P6 C46 99.77(18) . . ? C43 P6 C46 104.84(18) . . ? C42 P6 Pt2 106.25(13) . . ? C43 P6 Pt2 122.49(14) . . ? C46 P6 Pt2 113.73(13) . . ? C26 C25 C30 118.6(3) . . ? C26 C25 P4 123.5(3) . . ? C30 C25 P4 116.9(3) . . ? C25 C26 C27 121.3(4) . . ? C25 C26 H26 119.4 . . ? C27 C26 H26 119.4 . . ? C28 C27 C26 119.8(4) . . ? C28 C27 H27 120.1 . . ? C26 C27 H27 120.1 . . ? C29 C28 C27 120.3(4) . . ? C29 C28 H28 119.9 . . ? C27 C28 H28 119.9 . . ? C28 C29 C30 120.7(4) . . ? C28 C29 H29 119.7 . . ? C30 C29 H29 119.7 . . ? C29 C30 C25 119.2(4) . . ? C29 C30 P5 123.2(3) . . ? C25 C30 P5 117.5(3) . . ? C32 C31 C33 110.8(4) . . ? C32 C31 P5 110.0(3) . . ? C33 C31 P5 110.3(3) . . ? C32 C31 H31 108.6 . . ? C33 C31 H31 108.6 . . ? P5 C31 H31 108.6 . . ? C31 C32 H32A 109.5 . . ? C31 C32 H32B 109.5 . . ? H32A C32 H32B 109.5 . . ? C31 C32 H32C 109.5 . . ? H32A C32 H32C 109.5 . . ? H32B C32 H32C 109.5 . . ? C31 C33 H33A 109.5 . . ? C31 C33 H33B 109.5 . . ? H33A C33 H33B 109.5 . . ? C31 C33 H33C 109.5 . . ? H33A C33 H33C 109.5 . . ? H33B C33 H33C 109.5 . . ? C36 C34 C35 110.5(3) . . ? C36 C34 P5 110.8(3) . . ? C35 C34 P5 116.8(3) . . ? C36 C34 H34 106.0 . . ? C35 C34 H34 106.0 . . ? P5 C34 H34 106.0 . . ? C34 C35 H35A 109.5 . . ? C34 C35 H35B 109.5 . . ? H35A C35 H35B 109.5 . . ? C34 C35 H35C 109.5 . . ? H35A C35 H35C 109.5 . . ? H35B C35 H35C 109.5 . . ? C34 C36 H36A 109.5 . . ? C34 C36 H36B 109.5 . . ? H36A C36 H36B 109.5 . . ? C34 C36 H36C 109.5 . . ? H36A C36 H36C 109.5 . . ? H36B C36 H36C 109.5 . . ? C38 C37 C42 117.4(4) . . ? C38 C37 P4 126.1(3) . . ? C42 C37 P4 115.7(3) . . ? C39 C38 C37 121.2(4) . . ? C39 C38 H38 119.4 . . ? C37 C38 H38 119.4 . . ? C40 C39 C38 120.3(4) . . ? C40 C39 H39 119.9 . . ? C38 C39 H39 119.9 . . ? C39 C40 C41 119.4(4) . . ? C39 C40 H40 120.3 . . ? C41 C40 H40 120.3 . . ? C42 C41 C40 120.9(4) . . ? C42 C41 H41 119.5 . . ? C40 C41 H41 119.5 . . ? C41 C42 C37 120.5(4) . . ? C41 C42 P6 121.7(3) . . ? C37 C42 P6 117.7(3) . . ? C45 C43 C44 109.8(4) . . ? C45 C43 P6 112.9(3) . . ? C44 C43 P6 110.1(3) . . ? C45 C43 H43 108.0 . . ? C44 C43 H43 108.0 . . ? P6 C43 H43 108.0 . . ? C43 C44 H44A 109.5 . . ? C43 C44 H44B 109.5 . . ? H44A C44 H44B 109.5 . . ? C43 C44 H44C 109.5 . . ? H44A C44 H44C 109.5 . . ? H44B C44 H44C 109.5 . . ? C43 C45 H45A 109.5 . . ? C43 C45 H45B 109.5 . . ? H45A C45 H45B 109.5 . . ? C43 C45 H45C 109.5 . . ? H45A C45 H45C 109.5 . . ? H45B C45 H45C 109.5 . . ? C47 C46 C48 111.8(3) . . ? C47 C46 P6 113.9(3) . . ? C48 C46 P6 110.1(3) . . ? C47 C46 H46 106.9 . . ? C48 C46 H46 106.9 . . ? P6 C46 H46 106.9 . . ? C46 C47 H47A 109.5 . . ? C46 C47 H47B 109.5 . . ? H47A C47 H47B 109.5 . . ? C46 C47 H47C 109.5 . . ? H47A C47 H47C 109.5 . . ? H47B C47 H47C 109.5 . . ? C46 C48 H48A 109.5 . . ? C46 C48 H48B 109.5 . . ? H48A C48 H48B 109.5 . . ? C46 C48 H48C 109.5 . . ? H48A C48 H48C 109.5 . . ? H48B C48 H48C 109.5 . . ? 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 P3 Pt1 P1 C1 138.31(14) . . . . ? P2 Pt1 P1 C1 -33.50(14) . . . . ? P3 Pt1 P1 C13 21.84(13) . . . . ? P2 Pt1 P1 C13 -149.97(13) . . . . ? P1 Pt1 P2 C6 26.51(14) . . . . ? P3 Pt1 P2 C6 -14.2(2) . . . . ? Cl1 Pt1 P2 C6 -155.76(14) . . . . ? P1 Pt1 P2 C7 140.86(17) . . . . ? P3 Pt1 P2 C7 100.1(2) . . . . ? Cl1 Pt1 P2 C7 -41.41(17) . . . . ? P1 Pt1 P2 C10 -91.27(16) . . . . ? P3 Pt1 P2 C10 -132.0(2) . . . . ? Cl1 Pt1 P2 C10 86.46(16) . . . . ? P1 Pt1 P3 C18 -15.90(14) . . . . ? P2 Pt1 P3 C18 24.7(2) . . . . ? Cl1 Pt1 P3 C18 166.68(14) . . . . ? P1 Pt1 P3 C22 101.59(18) . . . . ? P2 Pt1 P3 C22 142.2(2) . . . . ? Cl1 Pt1 P3 C22 -75.82(18) . . . . ? P1 Pt1 P3 C19 -134.06(15) . . . . ? P2 Pt1 P3 C19 -93.4(2) . . . . ? Cl1 Pt1 P3 C19 48.52(15) . . . . ? C13 P1 C1 C2 -40.0(4) . . . . ? Pt1 P1 C1 C2 -153.2(3) . . . . ? C13 P1 C1 C6 150.5(3) . . . . ? Pt1 P1 C1 C6 37.3(3) . . . . ? C6 C1 C2 C3 1.8(6) . . . . ? P1 C1 C2 C3 -167.4(3) . . . . ? C1 C2 C3 C4 2.2(7) . . . . ? C2 C3 C4 C5 -4.0(7) . . . . ? C3 C4 C5 C6 1.9(7) . . . . ? C4 C5 C6 C1 2.1(6) . . . . ? C4 C5 C6 P2 -174.5(3) . . . . ? C2 C1 C6 C5 -3.9(6) . . . . ? P1 C1 C6 C5 166.5(3) . . . . ? C2 C1 C6 P2 172.9(3) . . . . ? P1 C1 C6 P2 -16.7(4) . . . . ? C7 P2 C6 C5 41.2(4) . . . . ? C10 P2 C6 C5 -70.1(4) . . . . ? Pt1 P2 C6 C5 165.2(3) . . . . ? C7 P2 C6 C1 -135.4(3) . . . . ? C10 P2 C6 C1 113.2(3) . . . . ? Pt1 P2 C6 C1 -11.5(3) . . . . ? C6 P2 C7 C8 66.1(3) . . . . ? C10 P2 C7 C8 178.2(3) . . . . ? Pt1 P2 C7 C8 -48.6(4) . . . . ? C6 P2 C7 C9 -168.8(3) . . . . ? C10 P2 C7 C9 -56.7(4) . . . . ? Pt1 P2 C7 C9 76.5(3) . . . . ? C6 P2 C10 C11 69.7(4) . . . . ? C7 P2 C10 C11 -40.2(4) . . . . ? Pt1 P2 C10 C11 -173.8(3) . . . . ? C6 P2 C10 C12 -54.4(3) . . . . ? C7 P2 C10 C12 -164.4(3) . . . . ? Pt1 P2 C10 C12 62.1(3) . . . . ? C1 P1 C13 C18 -138.6(3) . . . . ? Pt1 P1 C13 C18 -26.9(3) . . . . ? C1 P1 C13 C14 57.9(4) . . . . ? Pt1 P1 C13 C14 169.6(3) . . . . ? C18 C13 C14 C15 1.5(6) . . . . ? P1 C13 C14 C15 164.8(3) . . . . ? C13 C14 C15 C16 -4.1(6) . . . . ? C14 C15 C16 C17 2.6(6) . . . . ? C15 C16 C17 C18 1.4(6) . . . . ? C14 C13 C18 C17 2.5(6) . . . . ? P1 C13 C18 C17 -161.6(3) . . . . ? C14 C13 C18 P3 179.0(3) . . . . ? P1 C13 C18 P3 14.9(4) . . . . ? C16 C17 C18 C13 -4.1(6) . . . . ? C16 C17 C18 P3 179.7(3) . . . . ? C22 P3 C18 C13 -121.2(3) . . . . ? C19 P3 C18 C13 124.9(3) . . . . ? Pt1 P3 C18 C13 4.2(3) . . . . ? C22 P3 C18 C17 55.2(4) . . . . ? C19 P3 C18 C17 -58.7(4) . . . . ? Pt1 P3 C18 C17 -179.4(3) . . . . ? C18 P3 C19 C20 -56.3(3) . . . . ? C22 P3 C19 C20 -168.6(3) . . . . ? Pt1 P3 C19 C20 61.7(3) . . . . ? C18 P3 C19 C21 69.3(4) . . . . ? C22 P3 C19 C21 -42.9(4) . . . . ? Pt1 P3 C19 C21 -172.7(3) . . . . ? C18 P3 C22 C23 59.2(4) . . . . ? C19 P3 C22 C23 173.6(3) . . . . ? Pt1 P3 C22 C23 -59.8(4) . . . . ? C18 P3 C22 C24 -176.7(3) . . . . ? C19 P3 C22 C24 -62.4(4) . . . . ? Pt1 P3 C22 C24 64.2(4) . . . . ? P5 Pt2 P4 C25 23.15(13) . . . . ? P6 Pt2 P4 C25 -140.97(13) . . . . ? P5 Pt2 P4 C37 139.28(13) . . . . ? P6 Pt2 P4 C37 -24.84(13) . . . . ? P4 Pt2 P5 C30 -19.98(14) . . . . ? P6 Pt2 P5 C30 43.7(2) . . . . ? Cl2 Pt2 P5 C30 166.21(14) . . . . ? P4 Pt2 P5 C31 97.22(18) . . . . ? P6 Pt2 P5 C31 160.90(19) . . . . ? Cl2 Pt2 P5 C31 -76.58(18) . . . . ? P4 Pt2 P5 C34 -138.71(15) . . . . ? P6 Pt2 P5 C34 -75.0(2) . . . . ? Cl2 Pt2 P5 C34 47.49(15) . . . . ? P4 Pt2 P6 C42 17.05(14) . . . . ? P5 Pt2 P6 C42 -46.6(2) . . . . ? Cl2 Pt2 P6 C42 -168.64(14) . . . . ? P4 Pt2 P6 C43 -106.50(16) . . . . ? P5 Pt2 P6 C43 -170.19(18) . . . . ? Cl2 Pt2 P6 C43 67.80(16) . . . . ? P4 Pt2 P6 C46 125.79(14) . . . . ? P5 Pt2 P6 C46 62.1(2) . . . . ? Cl2 Pt2 P6 C46 -59.90(14) . . . . ? C37 P4 C25 C26 54.2(4) . . . . ? Pt2 P4 C25 C26 167.7(3) . . . . ? C37 P4 C25 C30 -137.2(3) . . . . ? Pt2 P4 C25 C30 -23.7(3) . . . . ? C30 C25 C26 C27 3.4(6) . . . . ? P4 C25 C26 C27 171.8(3) . . . . ? C25 C26 C27 C28 -3.0(6) . . . . ? C26 C27 C28 C29 -0.6(6) . . . . ? C27 C28 C29 C30 3.7(7) . . . . ? C28 C29 C30 C25 -3.2(6) . . . . ? C28 C29 C30 P5 179.6(3) . . . . ? C26 C25 C30 C29 -0.3(6) . . . . ? P4 C25 C30 C29 -169.5(3) . . . . ? C26 C25 C30 P5 177.0(3) . . . . ? P4 C25 C30 P5 7.8(4) . . . . ? C31 P5 C30 C29 62.6(4) . . . . ? C34 P5 C30 C29 -51.3(4) . . . . ? Pt2 P5 C30 C29 -171.3(3) . . . . ? C31 P5 C30 C25 -114.6(3) . . . . ? C34 P5 C30 C25 131.5(3) . . . . ? Pt2 P5 C30 C25 11.5(4) . . . . ? C30 P5 C31 C32 61.1(3) . . . . ? C34 P5 C31 C32 176.7(3) . . . . ? Pt2 P5 C31 C32 -57.1(3) . . . . ? C30 P5 C31 C33 -176.4(3) . . . . ? C34 P5 C31 C33 -60.8(3) . . . . ? Pt2 P5 C31 C33 65.4(3) . . . . ? C30 P5 C34 C36 -52.7(3) . . . . ? C31 P5 C34 C36 -165.2(3) . . . . ? Pt2 P5 C34 C36 64.3(3) . . . . ? C30 P5 C34 C35 75.0(4) . . . . ? C31 P5 C34 C35 -37.5(4) . . . . ? Pt2 P5 C34 C35 -168.0(3) . . . . ? C25 P4 C37 C38 -44.5(4) . . . . ? Pt2 P4 C37 C38 -158.4(3) . . . . ? C25 P4 C37 C42 145.4(3) . . . . ? Pt2 P4 C37 C42 31.5(3) . . . . ? C42 C37 C38 C39 1.6(6) . . . . ? P4 C37 C38 C39 -168.3(3) . . . . ? C37 C38 C39 C40 3.3(7) . . . . ? C38 C39 C40 C41 -4.9(7) . . . . ? C39 C40 C41 C42 1.6(6) . . . . ? C40 C41 C42 C37 3.4(6) . . . . ? C40 C41 C42 P6 -171.5(3) . . . . ? C38 C37 C42 C41 -4.9(6) . . . . ? P4 C37 C42 C41 166.1(3) . . . . ? C38 C37 C42 P6 170.2(3) . . . . ? P4 C37 C42 P6 -18.8(4) . . . . ? C43 P6 C42 C41 -55.0(4) . . . . ? C46 P6 C42 C41 54.0(4) . . . . ? Pt2 P6 C42 C41 172.4(3) . . . . ? C43 P6 C42 C37 130.0(3) . . . . ? C46 P6 C42 C37 -121.0(3) . . . . ? Pt2 P6 C42 C37 -2.6(3) . . . . ? C42 P6 C43 C45 -37.8(4) . . . . ? C46 P6 C43 C45 -143.3(3) . . . . ? Pt2 P6 C43 C45 85.3(3) . . . . ? C42 P6 C43 C44 -160.9(3) . . . . ? C46 P6 C43 C44 93.7(3) . . . . ? Pt2 P6 C43 C44 -37.8(4) . . . . ? C42 P6 C46 C47 -167.1(3) . . . . ? C43 P6 C46 C47 -56.1(3) . . . . ? Pt2 P6 C46 C47 80.2(3) . . . . ? C42 P6 C46 C48 66.5(3) . . . . ? C43 P6 C46 C48 177.4(3) . . . . ? Pt2 P6 C46 C48 -46.2(3) . . . . ? _diffrn_measured_fraction_theta_max 0.879 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max 3.982 _refine_diff_density_min -6.829 _refine_diff_density_rms 0.257 # Attachment '- mm05_ct (1).cif' data_mm05 _database_code_depnum_ccdc_archive 'CCDC 837135' #TrackingRef '- mm05_ct (1).cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C25 H39 P3 Pt' _chemical_formula_sum 'C25 H39 P3 Pt' _chemical_formula_weight 627.56 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/c' _symmetry_space_group_name_Hall '-P 2ybc' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 11.7084(6) _cell_length_b 13.9668(7) _cell_length_c 31.1141(16) _cell_angle_alpha 90.00 _cell_angle_beta 91.280(2) _cell_angle_gamma 90.00 _cell_volume 5086.8(4) _cell_formula_units_Z 8 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 20231 _cell_measurement_theta_min 1.60 _cell_measurement_theta_max 42.99 _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.28 _exptl_crystal_size_mid 0.25 _exptl_crystal_size_min 0.18 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.639 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2496 _exptl_absorpt_coefficient_mu 5.715 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.220 _exptl_absorpt_correction_T_max 0.353 _exptl_absorpt_process_details 'Blessing, 1995' _exptl_special_details ; ? ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator ? _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 56422 _diffrn_reflns_av_R_equivalents 0.1043 _diffrn_reflns_av_sigmaI/netI 0.1548 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 20 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_l_min -41 _diffrn_reflns_limit_l_max 59 _diffrn_reflns_theta_min 1.60 _diffrn_reflns_theta_max 42.99 _reflns_number_total 20231 _reflns_number_gt 10073 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0432P)^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 20231 _refine_ls_number_parameters 541 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1245 _refine_ls_R_factor_gt 0.0527 _refine_ls_wR_factor_ref 0.1199 _refine_ls_wR_factor_gt 0.1013 _refine_ls_goodness_of_fit_ref 0.872 _refine_ls_restrained_S_all 0.872 _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 Pt1 Pt 0.010284(18) 0.688234(15) 0.611096(6) 0.01053(5) Uani 1 1 d . . . Pt2 Pt 0.555596(18) 0.181500(15) 0.598678(7) 0.01120(5) Uani 1 1 d . . . P1 P 0.03835(13) 0.66372(10) 0.68396(5) 0.0113(3) Uani 1 1 d . . . P2 P -0.12318(13) 0.56974(10) 0.61536(5) 0.0115(3) Uani 1 1 d . . . P3 P 0.17981(13) 0.76815(11) 0.61500(5) 0.0130(3) Uani 1 1 d . . . P4 P 0.47304(13) 0.05441(11) 0.63388(5) 0.0125(3) Uani 1 1 d . . . P5 P 0.41000(13) 0.26949(10) 0.62486(5) 0.0121(3) Uani 1 1 d . . . P6 P 0.70410(13) 0.07666(10) 0.58977(5) 0.0129(3) Uani 1 1 d . . . C1 C -0.0070(5) 0.5402(4) 0.69303(18) 0.0130(12) Uani 1 1 d . . . C2 C -0.0949(5) 0.5053(4) 0.66607(18) 0.0147(12) Uani 1 1 d . . . C3 C -0.1542(5) 0.4224(4) 0.67557(19) 0.0173(13) Uani 1 1 d . . . H3 H -0.2178 0.4038 0.6580 0.021 Uiso 1 1 calc R . . C4 C -0.1212(6) 0.3659(4) 0.71077(19) 0.0199(14) Uani 1 1 d . . . H4 H -0.1614 0.3089 0.7174 0.024 Uiso 1 1 calc R . . C5 C -0.0283(6) 0.3954(4) 0.7357(2) 0.0227(14) Uani 1 1 d . . . H5 H -0.0014 0.3558 0.7586 0.027 Uiso 1 1 calc R . . C6 C 0.0262(5) 0.4811(4) 0.72807(19) 0.0177(13) Uani 1 1 d . . . H6 H 0.0871 0.5009 0.7467 0.021 Uiso 1 1 calc R . . C7 C 0.1938(5) 0.6741(4) 0.69383(18) 0.0141(12) Uani 1 1 d . . . C8 C 0.2545(5) 0.7297(4) 0.66431(19) 0.0150(12) Uani 1 1 d . . . C9 C 0.3677(5) 0.7548(4) 0.67406(19) 0.0197(14) Uani 1 1 d . . . H9 H 0.4076 0.7949 0.6548 0.024 Uiso 1 1 calc R . . C10 C 0.4229(6) 0.7226(4) 0.7111(2) 0.0210(14) Uani 1 1 d . . . H10 H 0.5007 0.7383 0.7167 0.025 Uiso 1 1 calc R . . C11 C 0.3637(5) 0.6674(4) 0.73969(19) 0.0181(13) Uani 1 1 d . . . H11 H 0.4011 0.6451 0.7652 0.022 Uiso 1 1 calc R . . C12 C 0.2500(5) 0.6442(4) 0.73169(19) 0.0156(12) Uani 1 1 d . . . H12 H 0.2099 0.6075 0.7522 0.019 Uiso 1 1 calc R . . C13 C -0.2791(5) 0.5917(4) 0.61236(19) 0.0159(12) Uani 1 1 d . . . H13 H -0.3173 0.5309 0.6030 0.019 Uiso 1 1 calc R . . C14 C -0.3274(6) 0.6204(5) 0.6553(2) 0.0250(15) Uani 1 1 d . . . H14A H -0.2900 0.6792 0.6655 0.038 Uiso 1 1 calc R . . H14B H -0.3136 0.5690 0.6763 0.038 Uiso 1 1 calc R . . H14C H -0.4097 0.6315 0.6520 0.038 Uiso 1 1 calc R . . C15 C -0.3081(6) 0.6692(5) 0.5787(2) 0.0292(16) Uani 1 1 d . . . H15A H -0.3912 0.6758 0.5757 0.044 Uiso 1 1 calc R . . H15B H -0.2766 0.6508 0.5509 0.044 Uiso 1 1 calc R . . H15C H -0.2749 0.7305 0.5879 0.044 Uiso 1 1 calc R . . C16 C -0.1017(5) 0.4688(4) 0.57763(18) 0.0148(12) Uani 1 1 d . . . H16 H -0.1451 0.4132 0.5892 0.018 Uiso 1 1 calc R . . C17 C 0.0221(5) 0.4394(4) 0.5777(2) 0.0196(13) Uani 1 1 d . . . H17A H 0.0305 0.3810 0.5607 0.029 Uiso 1 1 calc R . . H17B H 0.0486 0.4274 0.6074 0.029 Uiso 1 1 calc R . . H17C H 0.0678 0.4908 0.5653 0.029 Uiso 1 1 calc R . . C18 C -0.1494(5) 0.4871(4) 0.53244(19) 0.0215(14) Uani 1 1 d . . . H18A H -0.1135 0.5444 0.5206 0.032 Uiso 1 1 calc R . . H18B H -0.2322 0.4968 0.5336 0.032 Uiso 1 1 calc R . . H18C H -0.1333 0.4318 0.5141 0.032 Uiso 1 1 calc R . . C19 C 0.1786(5) 0.9006(4) 0.61801(19) 0.0169(13) Uani 1 1 d . . . H19 H 0.2593 0.9229 0.6218 0.020 Uiso 1 1 calc R . . C20 C 0.1126(5) 0.9321(4) 0.6574(2) 0.0230(14) Uani 1 1 d . . . H20A H 0.1184 1.0017 0.6607 0.034 Uiso 1 1 calc R . . H20B H 0.1451 0.9008 0.6831 0.034 Uiso 1 1 calc R . . H20C H 0.0322 0.9138 0.6537 0.034 Uiso 1 1 calc R . . C21 C 0.1303(6) 0.9447(4) 0.5772(2) 0.0221(14) Uani 1 1 d . . . H21A H 0.0512 0.9233 0.5727 0.033 Uiso 1 1 calc R . . H21B H 0.1761 0.9246 0.5528 0.033 Uiso 1 1 calc R . . H21C H 0.1321 1.0146 0.5797 0.033 Uiso 1 1 calc R . . C22 C 0.2708(5) 0.7392(4) 0.56892(18) 0.0158(12) Uani 1 1 d . . . H22 H 0.2223 0.7504 0.5425 0.019 Uiso 1 1 calc R . . C23 C 0.3785(5) 0.7984(4) 0.5633(2) 0.0217(14) Uani 1 1 d . . . H23A H 0.4356 0.7804 0.5853 0.033 Uiso 1 1 calc R . . H23B H 0.3601 0.8666 0.5661 0.033 Uiso 1 1 calc R . . H23C H 0.4091 0.7865 0.5347 0.033 Uiso 1 1 calc R . . C24 C 0.3004(6) 0.6319(4) 0.5690(2) 0.0233(15) Uani 1 1 d . . . H24A H 0.3409 0.6160 0.5427 0.035 Uiso 1 1 calc R . . H24B H 0.2299 0.5942 0.5701 0.035 Uiso 1 1 calc R . . H24C H 0.3492 0.6171 0.5941 0.035 Uiso 1 1 calc R . . C25 C -0.0175(5) 0.7188(4) 0.54372(17) 0.0128(12) Uani 1 1 d . . . H25A H 0.0078 0.7842 0.5376 0.019 Uiso 1 1 calc R . . H25B H -0.0990 0.7126 0.5364 0.019 Uiso 1 1 calc R . . H25C H 0.0262 0.6735 0.5265 0.019 Uiso 1 1 calc R . . C26 C 0.3822(5) 0.1067(4) 0.67528(19) 0.0155(12) Uani 1 1 d . . . C27 C 0.3417(5) 0.2014(4) 0.66723(19) 0.0157(12) Uani 1 1 d . . . C28 C 0.2480(5) 0.2354(4) 0.6896(2) 0.0218(14) Uani 1 1 d . . . H28 H 0.2167 0.2963 0.6827 0.026 Uiso 1 1 calc R . . C29 C 0.1999(6) 0.1806(5) 0.7222(2) 0.0235(14) Uani 1 1 d . . . H29 H 0.1371 0.2047 0.7377 0.028 Uiso 1 1 calc R . . C30 C 0.2441(6) 0.0915(5) 0.7316(2) 0.0223(14) Uani 1 1 d . . . H30 H 0.2138 0.0551 0.7544 0.027 Uiso 1 1 calc R . . C31 C 0.3315(6) 0.0552(5) 0.7081(2) 0.0232(14) Uani 1 1 d . . . H31 H 0.3586 -0.0074 0.7144 0.028 Uiso 1 1 calc R . . C32 C 0.5951(5) -0.0084(4) 0.65856(18) 0.0128(12) Uani 1 1 d . . . C33 C 0.6949(5) -0.0093(4) 0.63404(18) 0.0146(12) Uani 1 1 d . . . C34 C 0.7859(5) -0.0701(4) 0.6453(2) 0.0183(13) Uani 1 1 d . . . H34 H 0.8514 -0.0725 0.6279 0.022 Uiso 1 1 calc R . . C35 C 0.7806(6) -0.1266(4) 0.6816(2) 0.0213(14) Uani 1 1 d . . . H35 H 0.8417 -0.1689 0.6888 0.026 Uiso 1 1 calc R . . C36 C 0.6868(6) -0.1217(4) 0.7076(2) 0.0212(14) Uani 1 1 d . . . H36 H 0.6853 -0.1571 0.7337 0.025 Uiso 1 1 calc R . . C37 C 0.5953(5) -0.0650(4) 0.6955(2) 0.0199(13) Uani 1 1 d . . . H37 H 0.5299 -0.0644 0.7130 0.024 Uiso 1 1 calc R . . C38 C 0.4598(5) 0.3832(4) 0.64993(19) 0.0170(13) Uani 1 1 d . . . H38 H 0.5060 0.4170 0.6280 0.020 Uiso 1 1 calc R . . C39 C 0.5423(6) 0.3575(5) 0.6875(2) 0.0231(15) Uani 1 1 d . . . H39A H 0.5771 0.4162 0.6991 0.035 Uiso 1 1 calc R . . H39B H 0.6023 0.3149 0.6771 0.035 Uiso 1 1 calc R . . H39C H 0.5000 0.3252 0.7101 0.035 Uiso 1 1 calc R . . C40 C 0.3686(6) 0.4539(4) 0.6644(2) 0.0252(15) Uani 1 1 d . . . H40A H 0.3325 0.4294 0.6903 0.038 Uiso 1 1 calc R . . H40B H 0.3107 0.4617 0.6415 0.038 Uiso 1 1 calc R . . H40C H 0.4043 0.5160 0.6707 0.038 Uiso 1 1 calc R . . C41 C 0.2910(5) 0.3015(4) 0.5886(2) 0.0200(13) Uani 1 1 d . . . H41 H 0.2332 0.3371 0.6055 0.024 Uiso 1 1 calc R . . C42 C 0.2341(6) 0.2097(5) 0.5709(2) 0.0334(18) Uani 1 1 d . . . H42A H 0.1804 0.2263 0.5475 0.050 Uiso 1 1 calc R . . H42B H 0.1929 0.1778 0.5940 0.050 Uiso 1 1 calc R . . H42C H 0.2929 0.1665 0.5601 0.050 Uiso 1 1 calc R . . C43 C 0.3282(6) 0.3659(5) 0.5517(2) 0.0290(16) Uani 1 1 d . . . H43A H 0.3770 0.3294 0.5324 0.043 Uiso 1 1 calc R . . H43B H 0.3709 0.4207 0.5633 0.043 Uiso 1 1 calc R . . H43C H 0.2606 0.3888 0.5356 0.043 Uiso 1 1 calc R . . C44 C 0.8522(5) 0.1210(4) 0.59544(19) 0.0157(12) Uani 1 1 d . . . H44 H 0.9036 0.0639 0.5972 0.019 Uiso 1 1 calc R . . C45 C 0.8669(6) 0.1768(5) 0.6375(2) 0.0259(15) Uani 1 1 d . . . H45A H 0.9464 0.1980 0.6408 0.039 Uiso 1 1 calc R . . H45B H 0.8475 0.1354 0.6617 0.039 Uiso 1 1 calc R . . H45C H 0.8163 0.2326 0.6369 0.039 Uiso 1 1 calc R . . C46 C 0.8886(6) 0.1812(5) 0.5567(2) 0.0312(16) Uani 1 1 d . . . H46A H 0.8421 0.2395 0.5550 0.047 Uiso 1 1 calc R . . H46B H 0.8776 0.1439 0.5303 0.047 Uiso 1 1 calc R . . H46C H 0.9694 0.1986 0.5602 0.047 Uiso 1 1 calc R . . C47 C 0.7024(5) 0.0058(4) 0.53895(19) 0.0179(13) Uani 1 1 d . . . H47 H 0.6960 0.0521 0.5145 0.022 Uiso 1 1 calc R . . C48 C 0.8088(5) -0.0556(4) 0.5320(2) 0.0237(15) Uani 1 1 d . . . H48A H 0.8162 -0.1029 0.5552 0.036 Uiso 1 1 calc R . . H48B H 0.8766 -0.0145 0.5321 0.036 Uiso 1 1 calc R . . H48C H 0.8015 -0.0887 0.5043 0.036 Uiso 1 1 calc R . . C49 C 0.5935(5) -0.0566(5) 0.5380(2) 0.0253(15) Uani 1 1 d . . . H49A H 0.5856 -0.0881 0.5099 0.038 Uiso 1 1 calc R . . H49B H 0.5266 -0.0161 0.5427 0.038 Uiso 1 1 calc R . . H49C H 0.5993 -0.1052 0.5606 0.038 Uiso 1 1 calc R . . C50 C 0.6269(5) 0.3003(4) 0.5646(2) 0.0184(13) Uani 1 1 d . . . H50A H 0.5669 0.3475 0.5584 0.028 Uiso 1 1 calc R . . H50B H 0.6589 0.2776 0.5376 0.028 Uiso 1 1 calc R . . H50C H 0.6874 0.3299 0.5823 0.028 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Pt1 0.01149(11) 0.00904(10) 0.01101(10) 0.00063(8) -0.00048(8) -0.00145(8) Pt2 0.01084(11) 0.00960(10) 0.01318(10) 0.00162(8) 0.00050(8) 0.00110(8) P1 0.0121(8) 0.0105(7) 0.0113(7) -0.0005(5) 0.0000(6) -0.0011(5) P2 0.0098(7) 0.0110(7) 0.0136(7) 0.0001(5) -0.0012(6) -0.0008(5) P3 0.0120(8) 0.0125(7) 0.0145(7) -0.0007(6) -0.0002(6) -0.0042(6) P4 0.0122(8) 0.0107(7) 0.0147(7) 0.0002(6) -0.0001(6) 0.0002(5) P5 0.0136(8) 0.0081(7) 0.0145(7) -0.0011(5) -0.0021(6) 0.0002(5) P6 0.0129(8) 0.0094(7) 0.0163(7) 0.0005(6) -0.0006(6) 0.0001(5) C1 0.013(3) 0.008(3) 0.019(3) -0.001(2) 0.007(2) 0.000(2) C2 0.018(3) 0.011(3) 0.015(3) 0.001(2) 0.000(2) 0.004(2) C3 0.019(3) 0.016(3) 0.018(3) -0.005(2) 0.001(3) -0.001(2) C4 0.027(4) 0.015(3) 0.017(3) 0.002(2) 0.003(3) -0.007(3) C5 0.030(4) 0.018(3) 0.020(3) 0.003(3) -0.001(3) 0.000(3) C6 0.014(3) 0.023(3) 0.016(3) 0.001(2) -0.002(2) -0.003(2) C7 0.014(3) 0.014(3) 0.014(3) -0.006(2) -0.004(2) 0.001(2) C8 0.015(3) 0.013(3) 0.017(3) -0.005(2) -0.005(2) 0.000(2) C9 0.021(3) 0.023(3) 0.015(3) -0.003(2) 0.002(3) -0.009(3) C10 0.018(3) 0.022(3) 0.022(3) -0.010(3) -0.007(3) 0.004(3) C11 0.020(3) 0.014(3) 0.020(3) -0.004(2) -0.007(3) 0.001(2) C12 0.017(3) 0.013(3) 0.016(3) -0.002(2) -0.005(2) 0.001(2) C13 0.011(3) 0.018(3) 0.019(3) 0.000(2) 0.001(2) 0.001(2) C14 0.024(4) 0.022(3) 0.029(4) 0.003(3) -0.002(3) 0.004(3) C15 0.016(4) 0.035(4) 0.037(4) 0.014(3) 0.003(3) 0.008(3) C16 0.018(3) 0.010(3) 0.017(3) -0.001(2) -0.003(2) -0.001(2) C17 0.015(3) 0.015(3) 0.029(3) -0.004(3) -0.001(3) -0.001(2) C18 0.022(4) 0.022(3) 0.020(3) -0.003(3) -0.006(3) -0.006(3) C19 0.018(3) 0.007(3) 0.026(3) -0.002(2) 0.000(3) 0.001(2) C20 0.020(3) 0.015(3) 0.034(4) -0.008(3) -0.001(3) -0.005(2) C21 0.032(4) 0.009(3) 0.026(3) 0.004(2) 0.018(3) -0.002(3) C22 0.021(3) 0.015(3) 0.011(3) 0.001(2) 0.003(2) -0.004(2) C23 0.023(4) 0.017(3) 0.025(3) -0.006(3) 0.008(3) -0.001(2) C24 0.029(4) 0.016(3) 0.024(3) -0.001(3) -0.001(3) 0.000(3) C25 0.012(3) 0.008(3) 0.018(3) -0.003(2) -0.004(2) -0.001(2) C26 0.010(3) 0.020(3) 0.017(3) -0.008(2) 0.001(2) 0.001(2) C27 0.010(3) 0.012(3) 0.024(3) -0.003(2) -0.002(2) -0.002(2) C28 0.022(4) 0.010(3) 0.034(4) -0.010(3) 0.001(3) 0.006(2) C29 0.021(3) 0.026(4) 0.023(3) -0.008(3) 0.008(3) -0.008(3) C30 0.025(4) 0.023(3) 0.020(3) 0.004(3) 0.005(3) -0.004(3) C31 0.028(4) 0.021(3) 0.020(3) 0.005(3) -0.005(3) 0.000(3) C32 0.009(3) 0.011(3) 0.018(3) 0.002(2) -0.003(2) -0.004(2) C33 0.022(3) 0.013(3) 0.009(3) 0.000(2) -0.003(2) 0.000(2) C34 0.014(3) 0.020(3) 0.022(3) 0.002(2) 0.000(3) 0.005(2) C35 0.026(4) 0.011(3) 0.025(3) 0.003(2) -0.009(3) 0.006(2) C36 0.031(4) 0.014(3) 0.019(3) 0.006(2) -0.007(3) 0.001(3) C37 0.017(3) 0.014(3) 0.028(3) 0.000(3) 0.002(3) -0.006(2) C38 0.022(3) 0.012(3) 0.017(3) 0.002(2) 0.000(3) -0.006(2) C39 0.021(4) 0.025(3) 0.022(3) 0.000(3) -0.009(3) -0.005(3) C40 0.032(4) 0.015(3) 0.029(4) -0.007(3) -0.002(3) 0.002(3) C41 0.019(3) 0.017(3) 0.024(3) -0.007(2) -0.002(3) 0.005(2) C42 0.026(4) 0.036(4) 0.037(4) -0.017(3) -0.012(3) 0.006(3) C43 0.029(4) 0.037(4) 0.021(3) 0.007(3) -0.005(3) 0.010(3) C44 0.009(3) 0.014(3) 0.024(3) -0.004(2) 0.003(2) -0.001(2) C45 0.021(4) 0.029(4) 0.028(3) -0.009(3) -0.005(3) -0.001(3) C46 0.021(4) 0.025(4) 0.047(4) -0.001(3) 0.005(3) -0.004(3) C47 0.024(4) 0.018(3) 0.012(3) -0.002(2) -0.003(3) 0.002(2) C48 0.024(4) 0.020(3) 0.027(3) -0.005(3) -0.004(3) 0.007(3) C49 0.023(4) 0.021(3) 0.031(4) -0.006(3) -0.008(3) -0.002(3) C50 0.019(3) 0.008(3) 0.029(3) 0.002(2) 0.001(3) -0.001(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Pt1 C25 2.157(5) . ? Pt1 P3 2.2780(15) . ? Pt1 P2 2.2820(15) . ? Pt1 P1 2.3091(14) . ? Pt2 C50 2.147(6) . ? Pt2 P5 2.2677(16) . ? Pt2 P6 2.2947(15) . ? Pt2 P4 2.3091(15) . ? P1 C1 1.829(6) . ? P1 C7 1.844(6) . ? P2 C2 1.840(6) . ? P2 C13 1.851(6) . ? P2 C16 1.855(6) . ? P3 C8 1.830(6) . ? P3 C22 1.850(6) . ? P3 C19 1.853(6) . ? P4 C32 1.831(6) . ? P4 C26 1.840(6) . ? P5 C41 1.829(6) . ? P5 C27 1.824(6) . ? P5 C38 1.857(6) . ? P6 C33 1.832(6) . ? P6 C44 1.845(6) . ? P6 C47 1.865(6) . ? C1 C2 1.401(8) . ? C1 C6 1.415(8) . ? C2 C3 1.385(8) . ? C3 C4 1.397(8) . ? C3 H3 0.9500 . ? C4 C5 1.386(8) . ? C4 H4 0.9500 . ? C5 C6 1.379(8) . ? C5 H5 0.9500 . ? C6 H6 0.9500 . ? C7 C12 1.400(7) . ? C7 C8 1.408(8) . ? C8 C9 1.398(8) . ? C9 C10 1.383(8) . ? C9 H9 0.9500 . ? C10 C11 1.376(9) . ? C10 H10 0.9500 . ? C11 C12 1.387(8) . ? C11 H11 0.9500 . ? C12 H12 0.9500 . ? C13 C14 1.517(9) . ? C13 C15 1.540(8) . ? C13 H13 1.0000 . ? C14 H14A 0.9800 . ? C14 H14B 0.9800 . ? C14 H14C 0.9800 . ? C15 H15A 0.9800 . ? C15 H15B 0.9800 . ? C15 H15C 0.9800 . ? C16 C17 1.507(8) . ? C16 C18 1.523(8) . ? C16 H16 1.0000 . ? C17 H17A 0.9800 . ? C17 H17B 0.9800 . ? C17 H17C 0.9800 . ? C18 H18A 0.9800 . ? C18 H18B 0.9800 . ? C18 H18C 0.9800 . ? C19 C21 1.509(8) . ? C19 C20 1.528(8) . ? C19 H19 1.0000 . ? C20 H20A 0.9800 . ? C20 H20B 0.9800 . ? C20 H20C 0.9800 . ? C21 H21A 0.9800 . ? C21 H21B 0.9800 . ? C21 H21C 0.9800 . ? C22 C23 1.522(8) . ? C22 C24 1.538(8) . ? C22 H22 1.0000 . ? C23 H23A 0.9800 . ? C23 H23B 0.9800 . ? C23 H23C 0.9800 . ? C24 H24A 0.9800 . ? C24 H24B 0.9800 . ? C24 H24C 0.9800 . ? C25 H25A 0.9800 . ? C25 H25B 0.9800 . ? C25 H25C 0.9800 . ? C26 C31 1.392(9) . ? C26 C27 1.425(8) . ? C27 C28 1.396(8) . ? C28 C29 1.397(9) . ? C28 H28 0.9500 . ? C29 C30 1.377(9) . ? C29 H29 0.9500 . ? C30 C31 1.367(9) . ? C30 H30 0.9500 . ? C31 H31 0.9500 . ? C32 C37 1.396(8) . ? C32 C33 1.410(8) . ? C33 C34 1.401(8) . ? C34 C35 1.380(8) . ? C34 H34 0.9500 . ? C35 C36 1.380(9) . ? C35 H35 0.9500 . ? C36 C37 1.378(8) . ? C36 H36 0.9500 . ? C37 H37 0.9500 . ? C38 C40 1.530(9) . ? C38 C39 1.542(8) . ? C38 H38 1.0000 . ? C39 H39A 0.9800 . ? C39 H39B 0.9800 . ? C39 H39C 0.9800 . ? C40 H40A 0.9800 . ? C40 H40B 0.9800 . ? C40 H40C 0.9800 . ? C41 C43 1.530(9) . ? C41 C42 1.540(8) . ? C41 H41 1.0000 . ? C42 H42A 0.9800 . ? C42 H42B 0.9800 . ? C42 H42C 0.9800 . ? C43 H43A 0.9800 . ? C43 H43B 0.9800 . ? C43 H43C 0.9800 . ? C44 C45 1.529(8) . ? C44 C46 1.538(9) . ? C44 H44 1.0000 . ? C45 H45A 0.9800 . ? C45 H45B 0.9800 . ? C45 H45C 0.9800 . ? C46 H46A 0.9800 . ? C46 H46B 0.9800 . ? C46 H46C 0.9800 . ? C47 C48 1.532(8) . ? C47 C49 1.543(8) . ? C47 H47 1.0000 . ? C48 H48A 0.9800 . ? C48 H48B 0.9800 . ? C48 H48C 0.9800 . ? C49 H49A 0.9800 . ? C49 H49B 0.9800 . ? C49 H49C 0.9800 . ? C50 H50A 0.9800 . ? C50 H50B 0.9800 . ? C50 H50C 0.9800 . ? 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 C25 Pt1 P3 93.84(15) . . ? C25 Pt1 P2 96.41(15) . . ? P3 Pt1 P2 161.66(5) . . ? C25 Pt1 P1 177.05(15) . . ? P3 Pt1 P1 85.16(5) . . ? P2 Pt1 P1 85.30(5) . . ? C50 Pt2 P5 93.58(17) . . ? C50 Pt2 P6 97.43(17) . . ? P5 Pt2 P6 165.23(5) . . ? C50 Pt2 P4 177.99(17) . . ? P5 Pt2 P4 85.42(5) . . ? P6 Pt2 P4 83.87(5) . . ? C1 P1 C7 109.7(3) . . ? C1 P1 Pt1 104.82(19) . . ? C7 P1 Pt1 105.67(19) . . ? C2 P2 C13 106.4(3) . . ? C2 P2 C16 98.5(3) . . ? C13 P2 C16 104.0(3) . . ? C2 P2 Pt1 107.1(2) . . ? C13 P2 Pt1 123.5(2) . . ? C16 P2 Pt1 114.3(2) . . ? C8 P3 C22 108.3(3) . . ? C8 P3 C19 104.8(3) . . ? C22 P3 C19 105.2(3) . . ? C8 P3 Pt1 107.5(2) . . ? C22 P3 Pt1 111.58(19) . . ? C19 P3 Pt1 119.0(2) . . ? C32 P4 C26 110.8(3) . . ? C32 P4 Pt2 103.65(19) . . ? C26 P4 Pt2 106.3(2) . . ? C41 P5 C27 103.5(3) . . ? C41 P5 C38 106.1(3) . . ? C27 P5 C38 106.3(3) . . ? C41 P5 Pt2 118.6(2) . . ? C27 P5 Pt2 108.81(19) . . ? C38 P5 Pt2 112.5(2) . . ? C33 P6 C44 102.6(3) . . ? C33 P6 C47 106.9(3) . . ? C44 P6 C47 104.6(3) . . ? C33 P6 Pt2 105.7(2) . . ? C44 P6 Pt2 119.15(19) . . ? C47 P6 Pt2 116.6(2) . . ? C2 C1 C6 116.4(5) . . ? C2 C1 P1 116.6(4) . . ? C6 C1 P1 126.4(4) . . ? C3 C2 C1 121.8(5) . . ? C3 C2 P2 120.7(4) . . ? C1 C2 P2 117.3(4) . . ? C2 C3 C4 120.6(6) . . ? C2 C3 H3 119.7 . . ? C4 C3 H3 119.7 . . ? C5 C4 C3 118.1(6) . . ? C5 C4 H4 120.9 . . ? C3 C4 H4 120.9 . . ? C4 C5 C6 121.4(6) . . ? C4 C5 H5 119.3 . . ? C6 C5 H5 119.3 . . ? C5 C6 C1 121.3(6) . . ? C5 C6 H6 119.4 . . ? C1 C6 H6 119.4 . . ? C12 C7 C8 118.6(5) . . ? C12 C7 P1 124.1(5) . . ? C8 C7 P1 116.4(4) . . ? C9 C8 C7 119.1(5) . . ? C9 C8 P3 122.8(5) . . ? C7 C8 P3 118.1(4) . . ? C10 C9 C8 121.5(6) . . ? C10 C9 H9 119.3 . . ? C8 C9 H9 119.3 . . ? C9 C10 C11 119.2(6) . . ? C9 C10 H10 120.4 . . ? C11 C10 H10 120.4 . . ? C10 C11 C12 120.7(6) . . ? C10 C11 H11 119.7 . . ? C12 C11 H11 119.7 . . ? C11 C12 C7 120.8(6) . . ? C11 C12 H12 119.6 . . ? C7 C12 H12 119.6 . . ? C14 C13 C15 109.5(5) . . ? C14 C13 P2 112.7(4) . . ? C15 C13 P2 110.7(4) . . ? C14 C13 H13 107.9 . . ? C15 C13 H13 107.9 . . ? P2 C13 H13 107.9 . . ? C13 C14 H14A 109.5 . . ? C13 C14 H14B 109.5 . . ? H14A C14 H14B 109.5 . . ? C13 C14 H14C 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? C13 C15 H15A 109.5 . . ? C13 C15 H15B 109.5 . . ? H15A C15 H15B 109.5 . . ? C13 C15 H15C 109.5 . . ? H15A C15 H15C 109.5 . . ? H15B C15 H15C 109.5 . . ? C17 C16 C18 112.4(5) . . ? C17 C16 P2 110.5(4) . . ? C18 C16 P2 113.9(4) . . ? C17 C16 H16 106.5 . . ? C18 C16 H16 106.5 . . ? P2 C16 H16 106.5 . . ? C16 C17 H17A 109.5 . . ? C16 C17 H17B 109.5 . . ? H17A C17 H17B 109.5 . . ? C16 C17 H17C 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? C16 C18 H18A 109.5 . . ? C16 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C16 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C21 C19 C20 111.8(5) . . ? C21 C19 P3 111.6(4) . . ? C20 C19 P3 109.4(4) . . ? C21 C19 H19 108.0 . . ? C20 C19 H19 108.0 . . ? P3 C19 H19 108.0 . . ? C19 C20 H20A 109.5 . . ? C19 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? C19 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? C19 C21 H21A 109.5 . . ? C19 C21 H21B 109.5 . . ? H21A C21 H21B 109.5 . . ? C19 C21 H21C 109.5 . . ? H21A C21 H21C 109.5 . . ? H21B C21 H21C 109.5 . . ? C23 C22 C24 110.0(5) . . ? C23 C22 P3 117.7(4) . . ? C24 C22 P3 110.2(4) . . ? C23 C22 H22 106.1 . . ? C24 C22 H22 106.1 . . ? P3 C22 H22 106.1 . . ? C22 C23 H23A 109.5 . . ? C22 C23 H23B 109.5 . . ? H23A C23 H23B 109.5 . . ? C22 C23 H23C 109.5 . . ? H23A C23 H23C 109.5 . . ? H23B C23 H23C 109.5 . . ? C22 C24 H24A 109.5 . . ? C22 C24 H24B 109.5 . . ? H24A C24 H24B 109.5 . . ? C22 C24 H24C 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? Pt1 C25 H25A 109.5 . . ? Pt1 C25 H25B 109.5 . . ? H25A C25 H25B 109.5 . . ? Pt1 C25 H25C 109.5 . . ? H25A C25 H25C 109.5 . . ? H25B C25 H25C 109.5 . . ? C31 C26 C27 117.5(6) . . ? C31 C26 P4 124.8(5) . . ? C27 C26 P4 116.2(5) . . ? C28 C27 C26 119.3(6) . . ? C28 C27 P5 123.1(5) . . ? C26 C27 P5 117.4(5) . . ? C29 C28 C27 120.6(6) . . ? C29 C28 H28 119.7 . . ? C27 C28 H28 119.7 . . ? C30 C29 C28 119.5(6) . . ? C30 C29 H29 120.2 . . ? C28 C29 H29 120.2 . . ? C31 C30 C29 120.2(6) . . ? C31 C30 H30 119.9 . . ? C29 C30 H30 119.9 . . ? C30 C31 C26 122.5(6) . . ? C30 C31 H31 118.8 . . ? C26 C31 H31 118.8 . . ? C37 C32 C33 117.0(5) . . ? C37 C32 P4 127.2(5) . . ? C33 C32 P4 115.2(4) . . ? C34 C33 C32 120.3(5) . . ? C34 C33 P6 121.9(5) . . ? C32 C33 P6 117.7(4) . . ? C35 C34 C33 120.3(6) . . ? C35 C34 H34 119.9 . . ? C33 C34 H34 119.9 . . ? C36 C35 C34 120.1(6) . . ? C36 C35 H35 119.9 . . ? C34 C35 H35 119.9 . . ? C35 C36 C37 119.5(6) . . ? C35 C36 H36 120.3 . . ? C37 C36 H36 120.3 . . ? C36 C37 C32 122.6(6) . . ? C36 C37 H37 118.7 . . ? C32 C37 H37 118.7 . . ? C40 C38 C39 110.9(5) . . ? C40 C38 P5 117.5(4) . . ? C39 C38 P5 107.8(4) . . ? C40 C38 H38 106.7 . . ? C39 C38 H38 106.7 . . ? P5 C38 H38 106.7 . . ? C38 C39 H39A 109.5 . . ? C38 C39 H39B 109.5 . . ? H39A C39 H39B 109.5 . . ? C38 C39 H39C 109.5 . . ? H39A C39 H39C 109.5 . . ? H39B C39 H39C 109.5 . . ? C38 C40 H40A 109.5 . . ? C38 C40 H40B 109.5 . . ? H40A C40 H40B 109.5 . . ? C38 C40 H40C 109.5 . . ? H40A C40 H40C 109.5 . . ? H40B C40 H40C 109.5 . . ? C43 C41 C42 110.5(6) . . ? C43 C41 P5 112.4(5) . . ? C42 C41 P5 109.5(4) . . ? C43 C41 H41 108.1 . . ? C42 C41 H41 108.1 . . ? P5 C41 H41 108.1 . . ? C41 C42 H42A 109.5 . . ? C41 C42 H42B 109.5 . . ? H42A C42 H42B 109.5 . . ? C41 C42 H42C 109.5 . . ? H42A C42 H42C 109.5 . . ? H42B C42 H42C 109.5 . . ? C41 C43 H43A 109.5 . . ? C41 C43 H43B 109.5 . . ? H43A C43 H43B 109.5 . . ? C41 C43 H43C 109.5 . . ? H43A C43 H43C 109.5 . . ? H43B C43 H43C 109.5 . . ? C45 C44 C46 111.3(5) . . ? C45 C44 P6 109.9(4) . . ? C46 C44 P6 112.7(4) . . ? C45 C44 H44 107.6 . . ? C46 C44 H44 107.6 . . ? P6 C44 H44 107.6 . . ? C44 C45 H45A 109.5 . . ? C44 C45 H45B 109.5 . . ? H45A C45 H45B 109.5 . . ? C44 C45 H45C 109.5 . . ? H45A C45 H45C 109.5 . . ? H45B C45 H45C 109.5 . . ? C44 C46 H46A 109.5 . . ? C44 C46 H46B 109.5 . . ? H46A C46 H46B 109.5 . . ? C44 C46 H46C 109.5 . . ? H46A C46 H46C 109.5 . . ? H46B C46 H46C 109.5 . . ? C48 C47 C49 110.8(5) . . ? C48 C47 P6 115.0(4) . . ? C49 C47 P6 108.0(4) . . ? C48 C47 H47 107.6 . . ? C49 C47 H47 107.6 . . ? P6 C47 H47 107.6 . . ? C47 C48 H48A 109.5 . . ? C47 C48 H48B 109.5 . . ? H48A C48 H48B 109.5 . . ? C47 C48 H48C 109.5 . . ? H48A C48 H48C 109.5 . . ? H48B C48 H48C 109.5 . . ? C47 C49 H49A 109.5 . . ? C47 C49 H49B 109.5 . . ? H49A C49 H49B 109.5 . . ? C47 C49 H49C 109.5 . . ? H49A C49 H49C 109.5 . . ? H49B C49 H49C 109.5 . . ? Pt2 C50 H50A 109.5 . . ? Pt2 C50 H50B 109.5 . . ? H50A C50 H50B 109.5 . . ? Pt2 C50 H50C 109.5 . . ? H50A C50 H50C 109.5 . . ? H50B C50 H50C 109.5 . . ? 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 P3 Pt1 P1 C1 -139.4(2) . . . . ? P2 Pt1 P1 C1 24.9(2) . . . . ? P3 Pt1 P1 C7 -23.52(19) . . . . ? P2 Pt1 P1 C7 140.80(19) . . . . ? C25 Pt1 P2 C2 165.1(2) . . . . ? P3 Pt1 P2 C2 41.5(3) . . . . ? P1 Pt1 P2 C2 -17.3(2) . . . . ? C25 Pt1 P2 C13 -70.9(3) . . . . ? P3 Pt1 P2 C13 165.5(3) . . . . ? P1 Pt1 P2 C13 106.6(2) . . . . ? C25 Pt1 P2 C16 57.2(2) . . . . ? P3 Pt1 P2 C16 -66.4(3) . . . . ? P1 Pt1 P2 C16 -125.2(2) . . . . ? C25 Pt1 P3 C8 -163.4(2) . . . . ? P2 Pt1 P3 C8 -39.5(3) . . . . ? P1 Pt1 P3 C8 19.4(2) . . . . ? C25 Pt1 P3 C22 -44.8(3) . . . . ? P2 Pt1 P3 C22 79.1(3) . . . . ? P1 Pt1 P3 C22 137.9(2) . . . . ? C25 Pt1 P3 C19 78.0(3) . . . . ? P2 Pt1 P3 C19 -158.1(3) . . . . ? P1 Pt1 P3 C19 -99.3(2) . . . . ? P5 Pt2 P4 C32 -137.5(2) . . . . ? P6 Pt2 P4 C32 32.3(2) . . . . ? P5 Pt2 P4 C26 -20.61(19) . . . . ? P6 Pt2 P4 C26 149.2(2) . . . . ? C50 Pt2 P5 C41 75.2(3) . . . . ? P6 Pt2 P5 C41 -146.6(3) . . . . ? P4 Pt2 P5 C41 -103.0(2) . . . . ? C50 Pt2 P5 C27 -167.0(2) . . . . ? P6 Pt2 P5 C27 -28.9(3) . . . . ? P4 Pt2 P5 C27 14.73(19) . . . . ? C50 Pt2 P5 C38 -49.5(3) . . . . ? P6 Pt2 P5 C38 88.7(3) . . . . ? P4 Pt2 P5 C38 132.3(2) . . . . ? C50 Pt2 P6 C33 156.0(3) . . . . ? P5 Pt2 P6 C33 18.2(3) . . . . ? P4 Pt2 P6 C33 -25.55(19) . . . . ? C50 Pt2 P6 C44 41.4(3) . . . . ? P5 Pt2 P6 C44 -96.4(3) . . . . ? P4 Pt2 P6 C44 -140.2(2) . . . . ? C50 Pt2 P6 C47 -85.5(3) . . . . ? P5 Pt2 P6 C47 136.6(3) . . . . ? P4 Pt2 P6 C47 92.9(2) . . . . ? C7 P1 C1 C2 -144.5(5) . . . . ? Pt1 P1 C1 C2 -31.4(5) . . . . ? C7 P1 C1 C6 45.0(6) . . . . ? Pt1 P1 C1 C6 158.1(5) . . . . ? C6 C1 C2 C3 6.4(9) . . . . ? P1 C1 C2 C3 -165.1(5) . . . . ? C6 C1 C2 P2 -169.7(4) . . . . ? P1 C1 C2 P2 18.8(6) . . . . ? C13 P2 C2 C3 53.3(6) . . . . ? C16 P2 C2 C3 -54.0(5) . . . . ? Pt1 P2 C2 C3 -172.8(4) . . . . ? C13 P2 C2 C1 -130.5(5) . . . . ? C16 P2 C2 C1 122.1(5) . . . . ? Pt1 P2 C2 C1 3.4(5) . . . . ? C1 C2 C3 C4 -5.6(9) . . . . ? P2 C2 C3 C4 170.4(5) . . . . ? C2 C3 C4 C5 0.2(9) . . . . ? C3 C4 C5 C6 4.2(10) . . . . ? C4 C5 C6 C1 -3.2(10) . . . . ? C2 C1 C6 C5 -2.0(9) . . . . ? P1 C1 C6 C5 168.5(5) . . . . ? C1 P1 C7 C12 -53.2(5) . . . . ? Pt1 P1 C7 C12 -165.7(4) . . . . ? C1 P1 C7 C8 137.7(4) . . . . ? Pt1 P1 C7 C8 25.2(5) . . . . ? C12 C7 C8 C9 -1.3(8) . . . . ? P1 C7 C8 C9 168.4(4) . . . . ? C12 C7 C8 P3 180.0(4) . . . . ? P1 C7 C8 P3 -10.3(6) . . . . ? C22 P3 C8 C9 50.7(6) . . . . ? C19 P3 C8 C9 -61.2(6) . . . . ? Pt1 P3 C8 C9 171.3(5) . . . . ? C22 P3 C8 C7 -130.7(5) . . . . ? C19 P3 C8 C7 117.5(5) . . . . ? Pt1 P3 C8 C7 -10.0(5) . . . . ? C7 C8 C9 C10 3.1(9) . . . . ? P3 C8 C9 C10 -178.3(5) . . . . ? C8 C9 C10 C11 -2.4(9) . . . . ? C9 C10 C11 C12 0.0(9) . . . . ? C10 C11 C12 C7 1.7(9) . . . . ? C8 C7 C12 C11 -1.0(8) . . . . ? P1 C7 C12 C11 -169.9(4) . . . . ? C2 P2 C13 C14 40.6(5) . . . . ? C16 P2 C13 C14 143.9(4) . . . . ? Pt1 P2 C13 C14 -83.7(5) . . . . ? C2 P2 C13 C15 163.5(4) . . . . ? C16 P2 C13 C15 -93.1(5) . . . . ? Pt1 P2 C13 C15 39.3(5) . . . . ? C2 P2 C16 C17 -68.4(5) . . . . ? C13 P2 C16 C17 -177.7(4) . . . . ? Pt1 P2 C16 C17 44.8(5) . . . . ? C2 P2 C16 C18 164.0(5) . . . . ? C13 P2 C16 C18 54.7(5) . . . . ? Pt1 P2 C16 C18 -82.8(5) . . . . ? C8 P3 C19 C21 174.1(4) . . . . ? C22 P3 C19 C21 60.1(5) . . . . ? Pt1 P3 C19 C21 -65.8(5) . . . . ? C8 P3 C19 C20 -61.7(5) . . . . ? C22 P3 C19 C20 -175.7(4) . . . . ? Pt1 P3 C19 C20 58.4(5) . . . . ? C8 P3 C22 C23 -71.3(5) . . . . ? C19 P3 C22 C23 40.3(5) . . . . ? Pt1 P3 C22 C23 170.7(4) . . . . ? C8 P3 C22 C24 56.0(5) . . . . ? C19 P3 C22 C24 167.6(4) . . . . ? Pt1 P3 C22 C24 -62.1(4) . . . . ? C32 P4 C26 C31 -57.2(6) . . . . ? Pt2 P4 C26 C31 -169.2(5) . . . . ? C32 P4 C26 C27 137.2(4) . . . . ? Pt2 P4 C26 C27 25.2(5) . . . . ? C31 C26 C27 C28 -5.3(8) . . . . ? P4 C26 C27 C28 161.4(5) . . . . ? C31 C26 C27 P5 178.9(4) . . . . ? P4 C26 C27 P5 -14.4(6) . . . . ? C41 P5 C27 C28 -52.3(5) . . . . ? C38 P5 C27 C28 59.3(5) . . . . ? Pt2 P5 C27 C28 -179.3(4) . . . . ? C41 P5 C27 C26 123.3(5) . . . . ? C38 P5 C27 C26 -125.1(5) . . . . ? Pt2 P5 C27 C26 -3.7(5) . . . . ? C26 C27 C28 C29 5.2(9) . . . . ? P5 C27 C28 C29 -179.2(5) . . . . ? C27 C28 C29 C30 -1.2(9) . . . . ? C28 C29 C30 C31 -2.6(10) . . . . ? C29 C30 C31 C26 2.5(10) . . . . ? C27 C26 C31 C30 1.5(9) . . . . ? P4 C26 C31 C30 -163.9(5) . . . . ? C26 P4 C32 C37 39.4(6) . . . . ? Pt2 P4 C32 C37 153.1(5) . . . . ? C26 P4 C32 C33 -149.7(4) . . . . ? Pt2 P4 C32 C33 -36.0(4) . . . . ? C37 C32 C33 C34 4.4(8) . . . . ? P4 C32 C33 C34 -167.5(5) . . . . ? C37 C32 C33 P6 -171.7(4) . . . . ? P4 C32 C33 P6 16.4(6) . . . . ? C44 P6 C33 C34 -39.0(5) . . . . ? C47 P6 C33 C34 70.7(5) . . . . ? Pt2 P6 C33 C34 -164.6(4) . . . . ? C44 P6 C33 C32 137.0(4) . . . . ? C47 P6 C33 C32 -113.3(4) . . . . ? Pt2 P6 C33 C32 11.4(5) . . . . ? C32 C33 C34 C35 -2.9(9) . . . . ? P6 C33 C34 C35 173.0(5) . . . . ? C33 C34 C35 C36 -1.6(9) . . . . ? C34 C35 C36 C37 4.4(9) . . . . ? C35 C36 C37 C32 -2.8(9) . . . . ? C33 C32 C37 C36 -1.6(9) . . . . ? P4 C32 C37 C36 169.2(5) . . . . ? C41 P5 C38 C40 42.2(5) . . . . ? C27 P5 C38 C40 -67.5(5) . . . . ? Pt2 P5 C38 C40 173.5(4) . . . . ? C41 P5 C38 C39 168.3(4) . . . . ? C27 P5 C38 C39 58.6(5) . . . . ? Pt2 P5 C38 C39 -60.4(5) . . . . ? C27 P5 C41 C43 176.0(4) . . . . ? C38 P5 C41 C43 64.3(5) . . . . ? Pt2 P5 C41 C43 -63.5(5) . . . . ? C27 P5 C41 C42 -60.8(5) . . . . ? C38 P5 C41 C42 -172.5(5) . . . . ? Pt2 P5 C41 C42 59.7(5) . . . . ? C33 P6 C44 C45 -65.8(5) . . . . ? C47 P6 C44 C45 -177.2(4) . . . . ? Pt2 P6 C44 C45 50.4(5) . . . . ? C33 P6 C44 C46 169.5(4) . . . . ? C47 P6 C44 C46 58.0(5) . . . . ? Pt2 P6 C44 C46 -74.3(5) . . . . ? C33 P6 C47 C48 -68.2(5) . . . . ? C44 P6 C47 C48 40.2(5) . . . . ? Pt2 P6 C47 C48 174.0(4) . . . . ? C33 P6 C47 C49 56.1(5) . . . . ? C44 P6 C47 C49 164.5(4) . . . . ? Pt2 P6 C47 C49 -61.7(4) . . . . ? _diffrn_measured_fraction_theta_max 0.538 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max 3.595 _refine_diff_density_min -3.282 _refine_diff_density_rms 0.294