Supplementary Material (ESI) for Dalton Transactions This journal is (c) The Royal Society of Chemistry 2008 data_global # always start the CIF with a "data_global" section _journal_name_full 'Dalton Trans.' #============================================================================= # 1. SUBMISSION DETAILS _journal_coden_Cambridge 0222 #============================================================================= _audit_creation_date '2006 11th Dec.' _audit_creation_method 'from SHELXL97 CIF and IUCr SHELXL97-template' _publ_contact_author_name 'John R. Moss' _publ_contact_author_address ;Department of Chemistry University of Cape Town Rondebosch 7701 South Africa ; _publ_contact_author_phone 0027-21-6502535 _publ_contact_author_fax 0027-21-6897499 _publ_contact_author_email John.Moss@uct.ac.za loop_ _publ_author_name _publ_author_address 'Akella Sivaramakrishna' ; Department of Chemistry University of Cape Town Rondebosch 7701 South Africa ; 'Hong Su' ; Department of Chemistry University of Cape Town Rondebosch 7701 South Africa ; 'John R. Moss' ; Department of Chemistry University of Cape Town Rondebosch 7701 South Africa ; #============================================================================= # first data data_rk18 _database_code_depnum_ccdc_archive 'CCDC 630919' _audit_creation_method SHELXL-97 _chemical_name_systematic ; Bis(diphenylphosphino)propane-bis(1-pentenyl)platinum(II) ; _chemical_melting_point 120-122\%C _chemical_formula_moiety C37H44P2Pt _chemical_formula_sum 'C37 H44 P2 Pt' _chemical_formula_weight 745.75 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 Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 13.36530(10) _cell_length_b 13.99500(10) _cell_length_c 18.35420(10) _cell_angle_alpha 88.3020(10) _cell_angle_beta 75.6290(10) _cell_angle_gamma 89.3610(10) _cell_volume 3324.19(4) _cell_formula_units_Z 4 _cell_measurement_temperature 213(2) _cell_measurement_reflns_used 80402 _cell_measurement_theta_min 1.15 _cell_measurement_theta_max 26.02 _exptl_crystal_description Prism _exptl_crystal_colour colourless _exptl_crystal_size_max 0.18 _exptl_crystal_size_mid 0.18 _exptl_crystal_size_min 0.15 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.490 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1496 _exptl_absorpt_coefficient_mu 4.341 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.5088 _exptl_absorpt_correction_T_max 0.5621 _exptl_absorpt_process_details 'SADABS (Sheldrick, 1997)' _exptl_special_details ; Half sphere of data collected using COLLECT strategy (Nonius, 2000). Crystal to detector distance = 30mm; combination of \f and \w scans of 1.2\%, 20s per \%, 2 iterations. ; _diffrn_ambient_temperature 213(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Nonius Kappa CCD diffractometer' _diffrn_reflns_number 80402 _diffrn_reflns_av_R_equivalents 0.0380 _diffrn_reflns_av_sigmaI/netI 0.0330 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 1.15 _diffrn_reflns_theta_max 26.02 _reflns_number_total 13036 _reflns_number_gt 10902 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'COLLECT program (Nonius, 2000)' _computing_cell_refinement 'DENZO-SMN (Otwinowski & Minor, 1997)' _computing_data_reduction 'DENZO-SMN (Otwinowski & Minor, 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'X-Seed (Barbour, 2001)' _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^)+(0.0166P)^2^+4.1248P] 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 mixed _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.00083(6) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 13036 _refine_ls_number_parameters 719 _refine_ls_number_restraints 12 _refine_ls_R_factor_all 0.0387 _refine_ls_R_factor_gt 0.0265 _refine_ls_wR_factor_ref 0.0586 _refine_ls_wR_factor_gt 0.0542 _refine_ls_goodness_of_fit_ref 1.084 _refine_ls_restrained_S_all 1.087 _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 Pt1A Pt 0.368786(10) 0.652649(9) 0.125586(7) 0.03170(5) Uani 1 1 d . . . P1A P 0.19938(8) 0.69802(7) 0.15956(5) 0.0375(2) Uani 1 1 d . . . P2A P 0.42094(7) 0.79424(6) 0.06370(5) 0.0327(2) Uani 1 1 d . . . C1A C 0.3345(3) 0.5177(2) 0.1809(2) 0.0385(9) Uani 1 1 d . A . H1A1 H 0.3988 0.4887 0.1877 0.046 Uiso 1 1 calc R . . H1A2 H 0.2891 0.5272 0.2310 0.046 Uiso 1 1 calc R . . C2A C 0.2828(4) 0.4485(3) 0.1390(3) 0.0573(12) Uani 1 1 d D . . C6A C 0.5214(3) 0.6005(3) 0.0945(2) 0.0398(9) Uani 1 1 d . . . H6A1 H 0.5200 0.5337 0.0803 0.048 Uiso 1 1 calc R . . H6A2 H 0.5595 0.6370 0.0501 0.048 Uiso 1 1 calc R . . C7A C 0.5799(3) 0.6062(3) 0.1563(2) 0.0414(9) Uani 1 1 d . . . H7A1 H 0.5815 0.6730 0.1705 0.050 Uiso 1 1 calc R . . H7A2 H 0.5419 0.5697 0.2008 0.050 Uiso 1 1 calc R . . C8A C 0.6894(3) 0.5685(3) 0.1338(2) 0.0522(11) Uani 1 1 d . . . H8A1 H 0.6867 0.4996 0.1263 0.063 Uiso 1 1 calc R . . H8A2 H 0.7239 0.5984 0.0852 0.063 Uiso 1 1 calc R . . C9A C 0.7542(4) 0.5846(4) 0.1880(3) 0.0624(12) Uani 1 1 d . . . H9A H 0.8196 0.5551 0.1766 0.075 Uiso 1 1 calc R . . C10A C 0.7322(5) 0.6331(4) 0.2475(3) 0.0804(16) Uani 1 1 d . . . H10A H 0.6680 0.6644 0.2620 0.096 Uiso 1 1 calc R . . H10B H 0.7802 0.6376 0.2770 0.096 Uiso 1 1 calc R . . C11A C 0.1766(3) 0.8259(3) 0.1766(2) 0.0473(10) Uani 1 1 d . . . H11A H 0.1020 0.8381 0.1902 0.057 Uiso 1 1 calc R . . H11C H 0.2039 0.8432 0.2192 0.057 Uiso 1 1 calc R . . C12A C 0.2273(3) 0.8895(3) 0.1077(2) 0.0495(10) Uani 1 1 d . . . H12A H 0.2137 0.8620 0.0626 0.059 Uiso 1 1 calc R . . H12C H 0.1949 0.9529 0.1135 0.059 Uiso 1 1 calc R . . C13A C 0.3432(3) 0.9008(3) 0.0959(2) 0.0436(9) Uani 1 1 d . . . H13C H 0.3569 0.9197 0.1435 0.052 Uiso 1 1 calc R . . H13A H 0.3664 0.9530 0.0590 0.052 Uiso 1 1 calc R . . C14A C 0.1225(3) 0.6415(3) 0.2465(2) 0.0390(9) Uani 1 1 d . . . C15A C 0.1449(3) 0.6617(3) 0.3139(2) 0.0502(10) Uani 1 1 d . . . H15A H 0.1934 0.7093 0.3153 0.060 Uiso 1 1 calc R . . C16A C 0.0966(4) 0.6122(4) 0.3799(2) 0.0594(12) Uani 1 1 d . . . H16A H 0.1125 0.6267 0.4255 0.071 Uiso 1 1 calc R . . C17A C 0.0262(3) 0.5428(4) 0.3787(3) 0.0597(12) Uani 1 1 d . . . H17A H -0.0062 0.5094 0.4234 0.072 Uiso 1 1 calc R . . C18A C 0.0029(3) 0.5217(3) 0.3128(3) 0.0610(12) Uani 1 1 d . . . H18A H -0.0456 0.4738 0.3122 0.073 Uiso 1 1 calc R . . C19A C 0.0507(3) 0.5710(3) 0.2461(2) 0.0514(10) Uani 1 1 d . . . H19A H 0.0340 0.5563 0.2009 0.062 Uiso 1 1 calc R . . C20A C 0.1243(3) 0.6765(3) 0.0910(2) 0.0434(9) Uani 1 1 d . . . C21A C 0.1678(3) 0.6246(3) 0.0275(2) 0.0513(10) Uani 1 1 d . . . H21A H 0.2364 0.6028 0.0193 0.062 Uiso 1 1 calc R . . C22A C 0.1111(4) 0.6048(4) -0.0235(3) 0.0700(14) Uani 1 1 d . . . H22A H 0.1414 0.5691 -0.0660 0.084 Uiso 1 1 calc R . . C23A C 0.0110(4) 0.6363(4) -0.0131(3) 0.0723(14) Uani 1 1 d . . . H23A H -0.0270 0.6220 -0.0481 0.087 Uiso 1 1 calc R . . C24A C -0.0331(4) 0.6887(4) 0.0488(3) 0.0686(14) Uani 1 1 d . . . H24A H -0.1014 0.7109 0.0558 0.082 Uiso 1 1 calc R . . C25A C 0.0224(3) 0.7091(3) 0.1009(3) 0.0570(12) Uani 1 1 d . . . H25A H -0.0084 0.7451 0.1431 0.068 Uiso 1 1 calc R . . C26A C 0.5482(3) 0.8362(2) 0.0684(2) 0.0379(9) Uani 1 1 d . . . C27A C 0.5624(4) 0.8606(3) 0.1386(2) 0.0526(11) Uani 1 1 d . . . H27A H 0.5060 0.8576 0.1810 0.063 Uiso 1 1 calc R . . C28A C 0.6562(5) 0.8888(3) 0.1468(3) 0.0711(15) Uani 1 1 d . . . H28A H 0.6641 0.9045 0.1945 0.085 Uiso 1 1 calc R . . C29A C 0.7389(5) 0.8941(4) 0.0857(4) 0.0813(17) Uani 1 1 d . . . H29A H 0.8033 0.9143 0.0913 0.098 Uiso 1 1 calc R . . C30A C 0.7282(4) 0.8703(4) 0.0169(3) 0.0769(15) Uani 1 1 d . . . H30A H 0.7855 0.8734 -0.0249 0.092 Uiso 1 1 calc R . . C31A C 0.6320(3) 0.8410(3) 0.0077(3) 0.0552(11) Uani 1 1 d . . . H31A H 0.6250 0.8248 -0.0401 0.066 Uiso 1 1 calc R . . C32A C 0.4300(3) 0.7910(2) -0.03700(19) 0.0335(8) Uani 1 1 d . . . C33A C 0.4328(3) 0.8730(3) -0.0825(2) 0.0452(10) Uani 1 1 d . . . H33A H 0.4273 0.9335 -0.0609 0.054 Uiso 1 1 calc R . . C34A C 0.4436(4) 0.8663(3) -0.1588(2) 0.0537(11) Uani 1 1 d . . . H34A H 0.4448 0.9220 -0.1889 0.064 Uiso 1 1 calc R . . C35A C 0.4524(3) 0.7778(3) -0.1913(2) 0.0483(10) Uani 1 1 d . . . H35A H 0.4608 0.7734 -0.2435 0.058 Uiso 1 1 calc R . . C36A C 0.4490(3) 0.6962(3) -0.1472(2) 0.0443(9) Uani 1 1 d . . . H36A H 0.4541 0.6359 -0.1691 0.053 Uiso 1 1 calc R . . C37A C 0.4380(3) 0.7027(3) -0.0704(2) 0.0376(8) Uani 1 1 d . . . H37A H 0.4359 0.6466 -0.0406 0.045 Uiso 1 1 calc R . . C3A1 C 0.2399(8) 0.3638(6) 0.1996(6) 0.045(3) Uiso 0.451(15) 1 d PD A 1 C4A1 C 0.1827(9) 0.2859(8) 0.1716(8) 0.069(4) Uiso 0.451(15) 1 d PD A 1 C5A1 C 0.1978(19) 0.1943(11) 0.1781(14) 0.182(11) Uiso 0.451(15) 1 d PD A 1 C3A2 C 0.2648(9) 0.3476(6) 0.1733(7) 0.071(3) Uiso 0.549(15) 1 d PD A 2 C4A2 C 0.2025(9) 0.2965(8) 0.1266(8) 0.094(4) Uiso 0.549(15) 1 d PD A 2 C5A2 C 0.1119(9) 0.2630(10) 0.1536(8) 0.114(5) Uiso 0.549(15) 1 d PD A 2 Pt1B Pt 0.398667(10) 0.836137(9) 0.624904(7) 0.02789(5) Uani 1 1 d . . . P1B P 0.44855(7) 0.69643(6) 0.56540(5) 0.0298(2) Uani 1 1 d . . . P2B P 0.23527(7) 0.78210(6) 0.67806(5) 0.0330(2) Uani 1 1 d . . . C1B C 0.5468(3) 0.8952(3) 0.58047(19) 0.0347(8) Uani 1 1 d . . . H1B1 H 0.5851 0.8544 0.5404 0.042 Uiso 1 1 calc R . . H1B2 H 0.5389 0.9582 0.5577 0.042 Uiso 1 1 calc R . . C2B C 0.6101(3) 0.9061(3) 0.6379(2) 0.0423(9) Uani 1 1 d . C . H2B1 H 0.6233 0.8427 0.6578 0.051 Uiso 1 1 calc R . . H2B2 H 0.5701 0.9430 0.6800 0.051 Uiso 1 1 calc R . . C3B C 0.7140(3) 0.9564(4) 0.6048(3) 0.0665(14) Uani 1 1 d D . . C6B C 0.3587(3) 0.9737(2) 0.66927(19) 0.0316(8) Uani 1 1 d . . . H6B1 H 0.3227 0.9670 0.7226 0.038 Uiso 1 1 calc R . . H6B2 H 0.4217 1.0106 0.6655 0.038 Uiso 1 1 calc R . . C7B C 0.2899(3) 1.0269(3) 0.6273(2) 0.0460(10) Uani 1 1 d . . . H7B1 H 0.2298 0.9872 0.6277 0.055 Uiso 1 1 calc R . . H7B2 H 0.3281 1.0375 0.5748 0.055 Uiso 1 1 calc R . . C8B C 0.2528(4) 1.1231(3) 0.6616(3) 0.0654(13) Uani 1 1 d . B . H8B1 H 0.2239 1.1139 0.7159 0.078 Uiso 1 1 calc R . . H8B2 H 0.3118 1.1664 0.6542 0.078 Uiso 1 1 calc R . . C9B C 0.1742(4) 1.1668(4) 0.6277(3) 0.0803(16) Uani 1 1 d D . . C10B C 0.0857(5) 1.1925(7) 0.6680(4) 0.078(3) Uiso 0.80(2) 1 d PD B 2 C11B C 0.3867(3) 0.5864(2) 0.6106(2) 0.0374(8) Uani 1 1 d . . . H11D H 0.4056 0.5345 0.5749 0.045 Uiso 1 1 calc R . . H11B H 0.4148 0.5702 0.6539 0.045 Uiso 1 1 calc R . . C12B C 0.2685(3) 0.5904(3) 0.6375(2) 0.0416(9) Uani 1 1 d . . . H12D H 0.2404 0.6138 0.5958 0.050 Uiso 1 1 calc R . . H12B H 0.2424 0.5255 0.6513 0.050 Uiso 1 1 calc R . . C13B C 0.2295(3) 0.6548(3) 0.7050(2) 0.0421(9) Uani 1 1 d . . . H13B H 0.2713 0.6430 0.7414 0.050 Uiso 1 1 calc R . . H13D H 0.1579 0.6378 0.7297 0.050 Uiso 1 1 calc R . . C14B C 0.5840(3) 0.6606(2) 0.5505(2) 0.0331(8) Uani 1 1 d . . . C15B C 0.6231(3) 0.6422(3) 0.6133(2) 0.0427(9) Uani 1 1 d . . . H15B H 0.5799 0.6495 0.6618 0.051 Uiso 1 1 calc R . . C16B C 0.7243(3) 0.6134(3) 0.6053(3) 0.0519(11) Uani 1 1 d . . . H16B H 0.7490 0.5998 0.6481 0.062 Uiso 1 1 calc R . . C17B C 0.7890(3) 0.6046(3) 0.5348(3) 0.0507(11) Uani 1 1 d . . . H17B H 0.8580 0.5854 0.5294 0.061 Uiso 1 1 calc R . . C18B C 0.7527(3) 0.6238(3) 0.4726(2) 0.0484(10) Uani 1 1 d . . . H18B H 0.7974 0.6187 0.4244 0.058 Uiso 1 1 calc R . . C19B C 0.6506(3) 0.6507(3) 0.4797(2) 0.0396(9) Uani 1 1 d . . . H19B H 0.6263 0.6623 0.4364 0.048 Uiso 1 1 calc R . . C20B C 0.4287(3) 0.7002(2) 0.47052(18) 0.0305(8) Uani 1 1 d . . . C21B C 0.4450(3) 0.7867(3) 0.4303(2) 0.0400(9) Uani 1 1 d . . . H21B H 0.4623 0.8410 0.4535 0.048 Uiso 1 1 calc R . . C22B C 0.4363(3) 0.7946(3) 0.3569(2) 0.0462(10) Uani 1 1 d . . . H22B H 0.4482 0.8535 0.3304 0.055 Uiso 1 1 calc R . . C23B C 0.4099(3) 0.7155(3) 0.3228(2) 0.0458(10) Uani 1 1 d . . . H23B H 0.4038 0.7204 0.2729 0.055 Uiso 1 1 calc R . . C24B C 0.3927(3) 0.6295(3) 0.3618(2) 0.0483(10) Uani 1 1 d . . . H24B H 0.3743 0.5759 0.3384 0.058 Uiso 1 1 calc R . . C25B C 0.4021(3) 0.6210(3) 0.4348(2) 0.0406(9) Uani 1 1 d . . . H25B H 0.3905 0.5616 0.4608 0.049 Uiso 1 1 calc R . . C26B C 0.1621(3) 0.8375(3) 0.7642(2) 0.0395(9) Uani 1 1 d . . . C27B C 0.0927(3) 0.9110(3) 0.7626(2) 0.0533(11) Uani 1 1 d . . . H27B H 0.0797 0.9313 0.7166 0.064 Uiso 1 1 calc R . . C28B C 0.0422(4) 0.9549(4) 0.8284(3) 0.0705(14) Uani 1 1 d . . . H28B H -0.0039 1.0055 0.8265 0.085 Uiso 1 1 calc R . . C29B C 0.0590(4) 0.9249(4) 0.8969(3) 0.0742(16) Uani 1 1 d . . . H29B H 0.0233 0.9537 0.9416 0.089 Uiso 1 1 calc R . . C30B C 0.1284(4) 0.8529(4) 0.8987(3) 0.0701(15) Uani 1 1 d . . . H30B H 0.1409 0.8329 0.9450 0.084 Uiso 1 1 calc R . . C31B C 0.1804(3) 0.8090(3) 0.8337(2) 0.0526(11) Uani 1 1 d . . . H31B H 0.2281 0.7599 0.8360 0.063 Uiso 1 1 calc R . . C32B C 0.1438(3) 0.7888(3) 0.6189(2) 0.0398(9) Uani 1 1 d . . . C33B C 0.0430(3) 0.7554(3) 0.6449(3) 0.0569(11) Uani 1 1 d . . . H33B H 0.0211 0.7301 0.6942 0.068 Uiso 1 1 calc R . . C34B C -0.0243(4) 0.7589(4) 0.5999(3) 0.0740(15) Uani 1 1 d . . . H34B H -0.0920 0.7358 0.6183 0.089 Uiso 1 1 calc R . . C35B C 0.0068(4) 0.7959(4) 0.5280(4) 0.0831(17) Uani 1 1 d . . . H35B H -0.0398 0.7992 0.4972 0.100 Uiso 1 1 calc R . . C36B C 0.1065(4) 0.8284(4) 0.5008(3) 0.0741(15) Uani 1 1 d . . . H36B H 0.1280 0.8531 0.4512 0.089 Uiso 1 1 calc R . . C37B C 0.1751(3) 0.8247(3) 0.5464(2) 0.0510(10) Uani 1 1 d . . . H37B H 0.2431 0.8468 0.5277 0.061 Uiso 1 1 calc R . . C4B1 C 0.7618(9) 0.9989(11) 0.6651(6) 0.065(4) Uiso 0.404(12) 1 d PD C 1 C5B1 C 0.8583(9) 0.9881(10) 0.6654(7) 0.074(5) Uiso 0.404(12) 1 d PD C 1 C4B2 C 0.7822(8) 0.9571(9) 0.6609(5) 0.079(3) Uiso 0.596(12) 1 d PD C 2 C5B2 C 0.7591(9) 0.9362(9) 0.7318(6) 0.106(5) Uiso 0.596(12) 1 d PD C 2 C10C C 0.0747(10) 1.145(2) 0.6439(17) 0.069(11) Uiso 0.20(2) 1 d PD B 1 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 Pt1A 0.03446(9) 0.02738(8) 0.03106(8) -0.00074(6) -0.00402(6) 0.00065(6) P1A 0.0348(5) 0.0360(5) 0.0375(5) 0.0008(4) -0.0015(4) 0.0014(4) P2A 0.0376(5) 0.0287(5) 0.0298(5) -0.0015(4) -0.0044(4) -0.0010(4) C1A 0.038(2) 0.0314(19) 0.044(2) 0.0028(16) -0.0069(17) 0.0012(16) C2A 0.069(3) 0.037(2) 0.067(3) -0.006(2) -0.019(2) -0.008(2) C6A 0.040(2) 0.034(2) 0.043(2) -0.0050(16) -0.0057(17) 0.0025(17) C7A 0.045(2) 0.036(2) 0.042(2) -0.0022(17) -0.0086(18) 0.0014(17) C8A 0.041(2) 0.054(3) 0.061(3) -0.005(2) -0.011(2) 0.003(2) C9A 0.054(3) 0.065(3) 0.073(3) 0.002(3) -0.025(3) 0.002(2) C10A 0.094(4) 0.076(4) 0.087(4) 0.000(3) -0.053(3) 0.004(3) C11A 0.043(2) 0.039(2) 0.053(2) -0.0020(18) 0.0006(19) 0.0058(18) C12A 0.051(3) 0.037(2) 0.055(3) 0.0028(19) -0.002(2) 0.0097(19) C13A 0.056(3) 0.030(2) 0.039(2) -0.0025(16) -0.0012(18) -0.0003(18) C14A 0.033(2) 0.038(2) 0.040(2) -0.0011(16) 0.0006(16) 0.0046(17) C15A 0.047(2) 0.053(3) 0.049(3) 0.000(2) -0.009(2) 0.000(2) C16A 0.064(3) 0.069(3) 0.041(2) 0.002(2) -0.007(2) 0.016(3) C17A 0.046(3) 0.069(3) 0.053(3) 0.015(2) 0.008(2) 0.005(2) C18A 0.043(3) 0.058(3) 0.074(3) 0.012(2) 0.000(2) -0.011(2) C19A 0.046(2) 0.054(3) 0.051(3) 0.001(2) -0.005(2) -0.004(2) C20A 0.039(2) 0.044(2) 0.044(2) 0.0068(18) -0.0057(18) 0.0005(18) C21A 0.050(3) 0.050(3) 0.055(3) -0.006(2) -0.014(2) 0.006(2) C22A 0.077(4) 0.074(3) 0.067(3) -0.017(3) -0.032(3) 0.008(3) C23A 0.072(4) 0.079(4) 0.075(4) 0.000(3) -0.035(3) -0.005(3) C24A 0.044(3) 0.082(4) 0.085(4) 0.016(3) -0.026(3) 0.001(3) C25A 0.043(3) 0.070(3) 0.054(3) 0.004(2) -0.007(2) 0.008(2) C26A 0.046(2) 0.0285(19) 0.041(2) -0.0006(16) -0.0151(18) -0.0045(17) C27A 0.077(3) 0.038(2) 0.050(3) -0.0048(19) -0.029(2) -0.001(2) C28A 0.101(4) 0.048(3) 0.088(4) -0.015(3) -0.065(4) 0.000(3) C29A 0.073(4) 0.059(3) 0.133(6) -0.010(3) -0.065(4) -0.009(3) C30A 0.046(3) 0.086(4) 0.100(4) 0.001(3) -0.020(3) -0.018(3) C31A 0.044(3) 0.067(3) 0.055(3) -0.007(2) -0.011(2) -0.014(2) C32A 0.0322(19) 0.036(2) 0.0314(19) 0.0007(15) -0.0060(15) 0.0003(16) C33A 0.061(3) 0.035(2) 0.040(2) 0.0013(17) -0.0138(19) 0.0004(19) C34A 0.074(3) 0.050(3) 0.037(2) 0.0110(19) -0.015(2) 0.004(2) C35A 0.056(3) 0.059(3) 0.030(2) -0.0026(19) -0.0114(19) 0.006(2) C36A 0.055(3) 0.042(2) 0.037(2) -0.0075(17) -0.0126(19) 0.0057(19) C37A 0.043(2) 0.033(2) 0.035(2) -0.0004(16) -0.0082(17) 0.0024(17) Pt1B 0.03214(8) 0.02463(8) 0.02696(8) -0.00208(5) -0.00718(6) -0.00170(5) P1B 0.0328(5) 0.0253(4) 0.0303(5) -0.0023(4) -0.0059(4) -0.0003(4) P2B 0.0337(5) 0.0301(5) 0.0335(5) -0.0042(4) -0.0045(4) -0.0026(4) C1B 0.036(2) 0.0323(19) 0.0343(19) -0.0020(15) -0.0062(16) -0.0042(16) C2B 0.041(2) 0.043(2) 0.044(2) -0.0035(18) -0.0125(18) -0.0023(18) C3B 0.044(3) 0.096(4) 0.064(3) -0.006(3) -0.021(2) -0.026(3) C6B 0.0321(19) 0.0301(18) 0.0327(19) -0.0048(15) -0.0079(15) 0.0004(15) C7B 0.056(3) 0.034(2) 0.050(2) -0.0014(18) -0.017(2) 0.0007(19) C8B 0.077(3) 0.037(2) 0.094(4) -0.013(2) -0.043(3) 0.011(2) C9B 0.079(4) 0.052(3) 0.117(5) -0.007(3) -0.039(4) 0.019(3) C11B 0.042(2) 0.0281(19) 0.040(2) -0.0003(15) -0.0061(17) -0.0003(16) C12B 0.044(2) 0.0270(19) 0.049(2) -0.0011(16) -0.0022(18) -0.0063(17) C13B 0.043(2) 0.032(2) 0.046(2) 0.0024(17) -0.0008(18) -0.0064(17) C14B 0.034(2) 0.0236(17) 0.041(2) -0.0039(15) -0.0088(16) -0.0008(15) C15B 0.045(2) 0.045(2) 0.040(2) -0.0049(17) -0.0137(18) 0.0010(19) C16B 0.052(3) 0.050(3) 0.062(3) 0.000(2) -0.030(2) 0.005(2) C17B 0.034(2) 0.050(3) 0.069(3) -0.006(2) -0.015(2) 0.0075(19) C18B 0.038(2) 0.048(2) 0.053(3) -0.008(2) -0.0002(19) 0.0063(19) C19B 0.040(2) 0.038(2) 0.041(2) -0.0038(16) -0.0091(17) 0.0017(17) C20B 0.0291(19) 0.0311(18) 0.0297(18) -0.0052(14) -0.0038(14) 0.0023(15) C21B 0.049(2) 0.033(2) 0.039(2) -0.0058(16) -0.0127(18) -0.0039(17) C22B 0.060(3) 0.045(2) 0.035(2) 0.0026(18) -0.0153(19) -0.005(2) C23B 0.049(2) 0.060(3) 0.032(2) -0.0050(19) -0.0150(18) -0.003(2) C24B 0.062(3) 0.042(2) 0.048(2) -0.0126(19) -0.024(2) -0.002(2) C25B 0.046(2) 0.031(2) 0.046(2) -0.0018(17) -0.0142(18) -0.0020(17) C26B 0.035(2) 0.040(2) 0.039(2) -0.0092(17) -0.0002(16) -0.0073(17) C27B 0.054(3) 0.047(2) 0.054(3) -0.012(2) -0.002(2) 0.006(2) C28B 0.059(3) 0.060(3) 0.082(4) -0.028(3) 0.004(3) 0.011(2) C29B 0.069(4) 0.079(4) 0.062(3) -0.036(3) 0.013(3) -0.018(3) C30B 0.079(4) 0.091(4) 0.038(2) -0.018(2) -0.007(2) -0.019(3) C31B 0.050(3) 0.063(3) 0.043(2) -0.011(2) -0.007(2) -0.005(2) C32B 0.036(2) 0.040(2) 0.044(2) -0.0093(17) -0.0112(17) -0.0025(17) C33B 0.043(3) 0.061(3) 0.068(3) -0.011(2) -0.015(2) -0.006(2) C34B 0.048(3) 0.090(4) 0.091(4) -0.015(3) -0.029(3) -0.016(3) C35B 0.062(4) 0.114(5) 0.091(4) -0.029(4) -0.050(3) 0.008(3) C36B 0.076(4) 0.099(4) 0.058(3) -0.005(3) -0.035(3) 0.001(3) C37B 0.049(3) 0.057(3) 0.051(3) -0.005(2) -0.019(2) -0.003(2) _geom_special_details ; Some carbon atoms are disordered over two positions with freely refined S.O.F.: C10C 0.202 versus C10B 0.798; C3A1, C4A1, C5A1 0.451 versus C3A2, C4A2, C5A2 0.549; C4B1, C5B1 0.404 versus C4B2, C5B2 0.596. 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 Pt1A C6A 2.106(4) . ? Pt1A C1A 2.118(3) . ? Pt1A P2A 2.2819(9) . ? Pt1A P1A 2.2824(10) . ? P1A C20A 1.827(4) . ? P1A C14A 1.832(4) . ? P1A C11A 1.834(4) . ? P2A C32A 1.824(3) . ? P2A C26A 1.829(4) . ? P2A C13A 1.834(4) . ? C1A C2A 1.526(6) . ? C1A H1A1 0.9800 . ? C1A H1A2 0.9800 . ? C2A C3A2 1.525(8) . ? C2A C3A1 1.609(7) . ? C6A C7A 1.533(5) . ? C6A H6A1 0.9800 . ? C6A H6A2 0.9800 . ? C7A C8A 1.512(5) . ? C7A H7A1 0.9800 . ? C7A H7A2 0.9800 . ? C8A C9A 1.496(6) . ? C8A H8A1 0.9800 . ? C8A H8A2 0.9800 . ? C9A C10A 1.273(7) . ? C9A H9A 0.9400 . ? C10A H10A 0.9400 . ? C10A H10B 0.9400 . ? C11A C12A 1.540(5) . ? C11A H11A 0.9800 . ? C11A H11C 0.9800 . ? C12A C13A 1.520(6) . ? C12A H12A 0.9800 . ? C12A H12C 0.9800 . ? C13A H13C 0.9800 . ? C13A H13A 0.9800 . ? C14A C15A 1.382(6) . ? C14A C19A 1.385(5) . ? C15A C16A 1.391(6) . ? C15A H15A 0.9400 . ? C16A C17A 1.365(7) . ? C16A H16A 0.9400 . ? C17A C18A 1.363(7) . ? C17A H17A 0.9400 . ? C18A C19A 1.398(6) . ? C18A H18A 0.9400 . ? C19A H19A 0.9400 . ? C20A C21A 1.389(6) . ? C20A C25A 1.401(6) . ? C21A C22A 1.378(6) . ? C21A H21A 0.9400 . ? C22A C23A 1.373(7) . ? C22A H22A 0.9400 . ? C23A C24A 1.372(7) . ? C23A H23A 0.9400 . ? C24A C25A 1.386(6) . ? C24A H24A 0.9400 . ? C25A H25A 0.9400 . ? C26A C31A 1.370(6) . ? C26A C27A 1.401(5) . ? C27A C28A 1.364(7) . ? C27A H27A 0.9400 . ? C28A C29A 1.366(8) . ? C28A H28A 0.9400 . ? C29A C30A 1.358(8) . ? C29A H29A 0.9400 . ? C30A C31A 1.404(6) . ? C30A H30A 0.9400 . ? C31A H31A 0.9400 . ? C32A C37A 1.387(5) . ? C32A C33A 1.395(5) . ? C33A C34A 1.379(5) . ? C33A H33A 0.9400 . ? C34A C35A 1.381(6) . ? C34A H34A 0.9400 . ? C35A C36A 1.375(5) . ? C35A H35A 0.9400 . ? C36A C37A 1.385(5) . ? C36A H36A 0.9400 . ? C37A H37A 0.9400 . ? C3A1 C4A1 1.511(9) . ? C4A1 C5A1 1.302(10) . ? C3A2 C4A2 1.532(9) . ? C4A2 C5A2 1.278(9) . ? Pt1B C1B 2.113(3) . ? Pt1B C6B 2.123(3) . ? Pt1B P1B 2.2795(9) . ? Pt1B P2B 2.2866(9) . ? P1B C20B 1.825(3) . ? P1B C14B 1.829(4) . ? P1B C11B 1.832(4) . ? P2B C32B 1.826(4) . ? P2B C26B 1.830(4) . ? P2B C13B 1.832(4) . ? C1B C2B 1.518(5) . ? C1B H1B1 0.9800 . ? C1B H1B2 0.9800 . ? C2B C3B 1.539(6) . ? C2B H2B1 0.9800 . ? C2B H2B2 0.9800 . ? C3B C4B2 1.535(7) . ? C3B C4B1 1.545(8) . ? C6B C7B 1.514(5) . ? C6B H6B1 0.9800 . ? C6B H6B2 0.9800 . ? C7B C8B 1.528(6) . ? C7B H7B1 0.9800 . ? C7B H7B2 0.9800 . ? C8B C9B 1.467(6) . ? C8B H8B1 0.9800 . ? C8B H8B2 0.9800 . ? C9B C10B 1.283(7) . ? C9B C10C 1.325(10) . ? C11B C12B 1.534(5) . ? C11B H11D 0.9800 . ? C11B H11B 0.9800 . ? C12B C13B 1.534(5) . ? C12B H12D 0.9800 . ? C12B H12B 0.9800 . ? C13B H13B 0.9800 . ? C13B H13D 0.9800 . ? C14B C19B 1.391(5) . ? C14B C15B 1.395(5) . ? C15B C16B 1.380(6) . ? C15B H15B 0.9400 . ? C16B C17B 1.374(6) . ? C16B H16B 0.9400 . ? C17B C18B 1.366(6) . ? C17B H17B 0.9400 . ? C18B C19B 1.387(5) . ? C18B H18B 0.9400 . ? C19B H19B 0.9400 . ? C20B C21B 1.390(5) . ? C20B C25B 1.397(5) . ? C21B C22B 1.381(5) . ? C21B H21B 0.9400 . ? C22B C23B 1.379(5) . ? C22B H22B 0.9400 . ? C23B C24B 1.373(6) . ? C23B H23B 0.9400 . ? C24B C25B 1.379(5) . ? C24B H24B 0.9400 . ? C25B H25B 0.9400 . ? C26B C27B 1.381(6) . ? C26B C31B 1.403(6) . ? C27B C28B 1.387(6) . ? C27B H27B 0.9400 . ? C28B C29B 1.383(7) . ? C28B H28B 0.9400 . ? C29B C30B 1.367(7) . ? C29B H29B 0.9400 . ? C30B C31B 1.380(6) . ? C30B H30B 0.9400 . ? C31B H31B 0.9400 . ? C32B C37B 1.374(6) . ? C32B C33B 1.393(6) . ? C33B C34B 1.363(6) . ? C33B H33B 0.9400 . ? C34B C35B 1.370(8) . ? C34B H34B 0.9400 . ? C35B C36B 1.379(7) . ? C35B H35B 0.9400 . ? C36B C37B 1.385(6) . ? C36B H36B 0.9400 . ? C37B H37B 0.9400 . ? C4B1 C5B1 1.298(9) . ? C4B2 C5B2 1.287(8) . ? 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 C6A Pt1A C1A 84.66(15) . . ? C6A Pt1A P2A 90.23(11) . . ? C1A Pt1A P2A 174.86(10) . . ? C6A Pt1A P1A 175.86(10) . . ? C1A Pt1A P1A 91.69(11) . . ? P2A Pt1A P1A 93.43(3) . . ? C20A P1A C14A 103.61(18) . . ? C20A P1A C11A 101.99(19) . . ? C14A P1A C11A 102.82(17) . . ? C20A P1A Pt1A 115.88(13) . . ? C14A P1A Pt1A 115.37(12) . . ? C11A P1A Pt1A 115.30(14) . . ? C32A P2A C26A 103.73(17) . . ? C32A P2A C13A 105.11(17) . . ? C26A P2A C13A 99.93(18) . . ? C32A P2A Pt1A 113.13(12) . . ? C26A P2A Pt1A 115.75(12) . . ? C13A P2A Pt1A 117.41(13) . . ? C2A C1A Pt1A 113.9(3) . . ? C2A C1A H1A1 108.8 . . ? Pt1A C1A H1A1 108.8 . . ? C2A C1A H1A2 108.8 . . ? Pt1A C1A H1A2 108.8 . . ? H1A1 C1A H1A2 107.7 . . ? C3A2 C2A C1A 115.9(5) . . ? C3A2 C2A C3A1 20.5(5) . . ? C1A C2A C3A1 104.6(4) . . ? C7A C6A Pt1A 114.2(2) . . ? C7A C6A H6A1 108.7 . . ? Pt1A C6A H6A1 108.7 . . ? C7A C6A H6A2 108.7 . . ? Pt1A C6A H6A2 108.7 . . ? H6A1 C6A H6A2 107.6 . . ? C8A C7A C6A 114.0(3) . . ? C8A C7A H7A1 108.8 . . ? C6A C7A H7A1 108.8 . . ? C8A C7A H7A2 108.8 . . ? C6A C7A H7A2 108.8 . . ? H7A1 C7A H7A2 107.7 . . ? C9A C8A C7A 115.9(4) . . ? C9A C8A H8A1 108.3 . . ? C7A C8A H8A1 108.3 . . ? C9A C8A H8A2 108.3 . . ? C7A C8A H8A2 108.3 . . ? H8A1 C8A H8A2 107.4 . . ? C10A C9A C8A 128.4(5) . . ? C10A C9A H9A 115.8 . . ? C8A C9A H9A 115.8 . . ? C9A C10A H10A 120.0 . . ? C9A C10A H10B 120.0 . . ? H10A C10A H10B 120.0 . . ? C12A C11A P1A 112.7(3) . . ? C12A C11A H11A 109.0 . . ? P1A C11A H11A 109.0 . . ? C12A C11A H11C 109.0 . . ? P1A C11A H11C 109.0 . . ? H11A C11A H11C 107.8 . . ? C13A C12A C11A 113.8(3) . . ? C13A C12A H12A 108.8 . . ? C11A C12A H12A 108.8 . . ? C13A C12A H12C 108.8 . . ? C11A C12A H12C 108.8 . . ? H12A C12A H12C 107.7 . . ? C12A C13A P2A 115.5(3) . . ? C12A C13A H13C 108.4 . . ? P2A C13A H13C 108.4 . . ? C12A C13A H13A 108.4 . . ? P2A C13A H13A 108.4 . . ? H13C C13A H13A 107.5 . . ? C15A C14A C19A 118.4(4) . . ? C15A C14A P1A 119.0(3) . . ? C19A C14A P1A 122.2(3) . . ? C14A C15A C16A 120.8(4) . . ? C14A C15A H15A 119.6 . . ? C16A C15A H15A 119.6 . . ? C17A C16A C15A 120.2(4) . . ? C17A C16A H16A 119.9 . . ? C15A C16A H16A 119.9 . . ? C18A C17A C16A 120.1(4) . . ? C18A C17A H17A 120.0 . . ? C16A C17A H17A 120.0 . . ? C17A C18A C19A 120.3(4) . . ? C17A C18A H18A 119.8 . . ? C19A C18A H18A 119.8 . . ? C14A C19A C18A 120.2(4) . . ? C14A C19A H19A 119.9 . . ? C18A C19A H19A 119.9 . . ? C21A C20A C25A 118.2(4) . . ? C21A C20A P1A 119.6(3) . . ? C25A C20A P1A 122.2(3) . . ? C22A C21A C20A 120.5(4) . . ? C22A C21A H21A 119.8 . . ? C20A C21A H21A 119.8 . . ? C23A C22A C21A 121.0(5) . . ? C23A C22A H22A 119.5 . . ? C21A C22A H22A 119.5 . . ? C24A C23A C22A 119.5(5) . . ? C24A C23A H23A 120.2 . . ? C22A C23A H23A 120.2 . . ? C23A C24A C25A 120.4(5) . . ? C23A C24A H24A 119.8 . . ? C25A C24A H24A 119.8 . . ? C24A C25A C20A 120.4(4) . . ? C24A C25A H25A 119.8 . . ? C20A C25A H25A 119.8 . . ? C31A C26A C27A 117.9(4) . . ? C31A C26A P2A 123.7(3) . . ? C27A C26A P2A 118.3(3) . . ? C28A C27A C26A 121.5(5) . . ? C28A C27A H27A 119.3 . . ? C26A C27A H27A 119.3 . . ? C27A C28A C29A 119.9(5) . . ? C27A C28A H28A 120.0 . . ? C29A C28A H28A 120.0 . . ? C30A C29A C28A 120.2(5) . . ? C30A C29A H29A 119.9 . . ? C28A C29A H29A 119.9 . . ? C29A C30A C31A 120.4(5) . . ? C29A C30A H30A 119.8 . . ? C31A C30A H30A 119.8 . . ? C26A C31A C30A 120.1(4) . . ? C26A C31A H31A 120.0 . . ? C30A C31A H31A 120.0 . . ? C37A C32A C33A 118.4(3) . . ? C37A C32A P2A 118.3(3) . . ? C33A C32A P2A 123.2(3) . . ? C34A C33A C32A 120.7(4) . . ? C34A C33A H33A 119.7 . . ? C32A C33A H33A 119.7 . . ? C33A C34A C35A 120.2(4) . . ? C33A C34A H34A 119.9 . . ? C35A C34A H34A 119.9 . . ? C36A C35A C34A 119.8(4) . . ? C36A C35A H35A 120.1 . . ? C34A C35A H35A 120.1 . . ? C35A C36A C37A 120.1(4) . . ? C35A C36A H36A 119.9 . . ? C37A C36A H36A 119.9 . . ? C36A C37A C32A 120.8(3) . . ? C36A C37A H37A 119.6 . . ? C32A C37A H37A 119.6 . . ? C4A1 C3A1 C2A 114.9(8) . . ? C5A1 C4A1 C3A1 126.0(15) . . ? C2A C3A2 C4A2 105.7(7) . . ? C5A2 C4A2 C3A2 123.8(12) . . ? C1B Pt1B C6B 85.04(14) . . ? C1B Pt1B P1B 91.11(10) . . ? C6B Pt1B P1B 173.99(10) . . ? C1B Pt1B P2B 175.79(10) . . ? C6B Pt1B P2B 90.82(10) . . ? P1B Pt1B P2B 93.08(3) . . ? C20B P1B C14B 103.29(16) . . ? C20B P1B C11B 105.95(17) . . ? C14B P1B C11B 99.43(16) . . ? C20B P1B Pt1B 111.30(11) . . ? C14B P1B Pt1B 117.71(11) . . ? C11B P1B Pt1B 117.45(12) . . ? C32B P2B C26B 102.05(18) . . ? C32B P2B C13B 101.30(18) . . ? C26B P2B C13B 102.56(17) . . ? C32B P2B Pt1B 116.56(13) . . ? C26B P2B Pt1B 118.17(12) . . ? C13B P2B Pt1B 113.84(13) . . ? C2B C1B Pt1B 114.3(2) . . ? C2B C1B H1B1 108.7 . . ? Pt1B C1B H1B1 108.7 . . ? C2B C1B H1B2 108.7 . . ? Pt1B C1B H1B2 108.7 . . ? H1B1 C1B H1B2 107.6 . . ? C1B C2B C3B 112.8(3) . . ? C1B C2B H2B1 109.0 . . ? C3B C2B H2B1 109.0 . . ? C1B C2B H2B2 109.0 . . ? C3B C2B H2B2 109.0 . . ? H2B1 C2B H2B2 107.8 . . ? C4B2 C3B C2B 112.2(5) . . ? C4B2 C3B C4B1 24.0(6) . . ? C2B C3B C4B1 113.4(6) . . ? C7B C6B Pt1B 111.2(2) . . ? C7B C6B H6B1 109.4 . . ? Pt1B C6B H6B1 109.4 . . ? C7B C6B H6B2 109.4 . . ? Pt1B C6B H6B2 109.4 . . ? H6B1 C6B H6B2 108.0 . . ? C6B C7B C8B 112.7(3) . . ? C6B C7B H7B1 109.1 . . ? C8B C7B H7B1 109.1 . . ? C6B C7B H7B2 109.1 . . ? C8B C7B H7B2 109.1 . . ? H7B1 C7B H7B2 107.8 . . ? C9B C8B C7B 111.9(4) . . ? C9B C8B H8B1 109.2 . . ? C7B C8B H8B1 109.2 . . ? C9B C8B H8B2 109.2 . . ? C7B C8B H8B2 109.2 . . ? H8B1 C8B H8B2 107.9 . . ? C10B C9B C10C 37.6(14) . . ? C10B C9B C8B 121.6(6) . . ? C10C C9B C8B 126.6(13) . . ? C12B C11B P1B 115.4(2) . . ? C12B C11B H11D 108.4 . . ? P1B C11B H11D 108.4 . . ? C12B C11B H11B 108.4 . . ? P1B C11B H11B 108.4 . . ? H11D C11B H11B 107.5 . . ? C13B C12B C11B 113.5(3) . . ? C13B C12B H12D 108.9 . . ? C11B C12B H12D 108.9 . . ? C13B C12B H12B 108.9 . . ? C11B C12B H12B 108.9 . . ? H12D C12B H12B 107.7 . . ? C12B C13B P2B 112.7(3) . . ? C12B C13B H13B 109.1 . . ? P2B C13B H13B 109.1 . . ? C12B C13B H13D 109.1 . . ? P2B C13B H13D 109.1 . . ? H13B C13B H13D 107.8 . . ? C19B C14B C15B 118.0(3) . . ? C19B C14B P1B 123.5(3) . . ? C15B C14B P1B 118.5(3) . . ? C16B C15B C14B 120.8(4) . . ? C16B C15B H15B 119.6 . . ? C14B C15B H15B 119.6 . . ? C17B C16B C15B 120.3(4) . . ? C17B C16B H16B 119.9 . . ? C15B C16B H16B 119.9 . . ? C18B C17B C16B 119.8(4) . . ? C18B C17B H17B 120.1 . . ? C16B C17B H17B 120.1 . . ? C17B C18B C19B 120.7(4) . . ? C17B C18B H18B 119.6 . . ? C19B C18B H18B 119.6 . . ? C18B C19B C14B 120.4(4) . . ? C18B C19B H19B 119.8 . . ? C14B C19B H19B 119.8 . . ? C21B C20B C25B 118.1(3) . . ? C21B C20B P1B 117.7(3) . . ? C25B C20B P1B 124.2(3) . . ? C22B C21B C20B 121.3(3) . . ? C22B C21B H21B 119.3 . . ? C20B C21B H21B 119.3 . . ? C23B C22B C21B 119.7(4) . . ? C23B C22B H22B 120.2 . . ? C21B C22B H22B 120.2 . . ? C24B C23B C22B 119.9(4) . . ? C24B C23B H23B 120.1 . . ? C22B C23B H23B 120.1 . . ? C23B C24B C25B 120.8(4) . . ? C23B C24B H24B 119.6 . . ? C25B C24B H24B 119.6 . . ? C24B C25B C20B 120.3(4) . . ? C24B C25B H25B 119.8 . . ? C20B C25B H25B 119.8 . . ? C27B C26B C31B 118.5(4) . . ? C27B C26B P2B 121.7(3) . . ? C31B C26B P2B 119.7(3) . . ? C26B C27B C28B 120.4(4) . . ? C26B C27B H27B 119.8 . . ? C28B C27B H27B 119.8 . . ? C29B C28B C27B 120.7(5) . . ? C29B C28B H28B 119.7 . . ? C27B C28B H28B 119.7 . . ? C30B C29B C28B 119.1(4) . . ? C30B C29B H29B 120.5 . . ? C28B C29B H29B 120.5 . . ? C29B C30B C31B 121.1(5) . . ? C29B C30B H30B 119.4 . . ? C31B C30B H30B 119.4 . . ? C30B C31B C26B 120.2(5) . . ? C30B C31B H31B 119.9 . . ? C26B C31B H31B 119.9 . . ? C37B C32B C33B 118.9(4) . . ? C37B C32B P2B 119.8(3) . . ? C33B C32B P2B 121.3(3) . . ? C34B C33B C32B 121.1(5) . . ? C34B C33B H33B 119.5 . . ? C32B C33B H33B 119.5 . . ? C33B C34B C35B 119.9(5) . . ? C33B C34B H34B 120.1 . . ? C35B C34B H34B 120.1 . . ? C34B C35B C36B 120.0(5) . . ? C34B C35B H35B 120.0 . . ? C36B C35B H35B 120.0 . . ? C35B C36B C37B 120.2(5) . . ? C35B C36B H36B 119.9 . . ? C37B C36B H36B 119.9 . . ? C32B C37B C36B 120.0(4) . . ? C32B C37B H37B 120.0 . . ? C36B C37B H37B 120.0 . . ? C5B1 C4B1 C3B 123.2(11) . . ? C5B2 C4B2 C3B 129.6(9) . . ? 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 C6A Pt1A P1A C20A -65.7(14) . . . . ? C1A Pt1A P1A C20A -93.75(17) . . . . ? P2A Pt1A P1A C20A 86.63(14) . . . . ? C6A Pt1A P1A C14A 55.6(14) . . . . ? C1A Pt1A P1A C14A 27.56(18) . . . . ? P2A Pt1A P1A C14A -152.07(14) . . . . ? C6A Pt1A P1A C11A 175.3(14) . . . . ? C1A Pt1A P1A C11A 147.27(18) . . . . ? P2A Pt1A P1A C11A -32.36(16) . . . . ? C6A Pt1A P2A C32A 83.08(16) . . . . ? C1A Pt1A P2A C32A 89.2(12) . . . . ? P1A Pt1A P2A C32A -95.00(13) . . . . ? C6A Pt1A P2A C26A -36.42(17) . . . . ? C1A Pt1A P2A C26A -30.3(12) . . . . ? P1A Pt1A P2A C26A 145.50(14) . . . . ? C6A Pt1A P2A C13A -154.19(18) . . . . ? C1A Pt1A P2A C13A -148.1(12) . . . . ? P1A Pt1A P2A C13A 27.73(16) . . . . ? C6A Pt1A C1A C2A -103.0(3) . . . . ? P2A Pt1A C1A C2A -109.2(11) . . . . ? P1A Pt1A C1A C2A 75.0(3) . . . . ? Pt1A C1A C2A C3A2 175.1(6) . . . . ? Pt1A C1A C2A C3A1 -166.5(5) . . . . ? C1A Pt1A C6A C7A -80.0(3) . . . . ? P2A Pt1A C6A C7A 99.4(3) . . . . ? P1A Pt1A C6A C7A -108.2(14) . . . . ? Pt1A C6A C7A C8A 179.9(3) . . . . ? C6A C7A C8A C9A 172.0(4) . . . . ? C7A C8A C9A C10A -6.7(8) . . . . ? C20A P1A C11A C12A -68.3(3) . . . . ? C14A P1A C11A C12A -175.4(3) . . . . ? Pt1A P1A C11A C12A 58.2(3) . . . . ? P1A C11A C12A C13A -76.9(4) . . . . ? C11A C12A C13A P2A 71.1(4) . . . . ? C32A P2A C13A C12A 79.0(3) . . . . ? C26A P2A C13A C12A -173.7(3) . . . . ? Pt1A P2A C13A C12A -47.7(3) . . . . ? C20A P1A C14A C15A -166.1(3) . . . . ? C11A P1A C14A C15A -60.2(4) . . . . ? Pt1A P1A C14A C15A 66.2(3) . . . . ? C20A P1A C14A C19A 21.5(4) . . . . ? C11A P1A C14A C19A 127.4(3) . . . . ? Pt1A P1A C14A C19A -106.2(3) . . . . ? C19A C14A C15A C16A 0.1(6) . . . . ? P1A C14A C15A C16A -172.6(3) . . . . ? C14A C15A C16A C17A 0.1(7) . . . . ? C15A C16A C17A C18A -0.1(7) . . . . ? C16A C17A C18A C19A -0.1(7) . . . . ? C15A C14A C19A C18A -0.3(6) . . . . ? P1A C14A C19A C18A 172.2(3) . . . . ? C17A C18A C19A C14A 0.2(7) . . . . ? C14A P1A C20A C21A -119.6(3) . . . . ? C11A P1A C20A C21A 133.8(3) . . . . ? Pt1A P1A C20A C21A 7.8(4) . . . . ? C14A P1A C20A C25A 59.0(4) . . . . ? C11A P1A C20A C25A -47.5(4) . . . . ? Pt1A P1A C20A C25A -173.6(3) . . . . ? C25A C20A C21A C22A -1.0(6) . . . . ? P1A C20A C21A C22A 177.7(4) . . . . ? C20A C21A C22A C23A 0.5(8) . . . . ? C21A C22A C23A C24A 0.3(8) . . . . ? C22A C23A C24A C25A -0.6(8) . . . . ? C23A C24A C25A C20A 0.0(7) . . . . ? C21A C20A C25A C24A 0.7(6) . . . . ? P1A C20A C25A C24A -177.9(4) . . . . ? C32A P2A C26A C31A -12.6(4) . . . . ? C13A P2A C26A C31A -120.9(4) . . . . ? Pt1A P2A C26A C31A 112.0(3) . . . . ? C32A P2A C26A C27A 170.4(3) . . . . ? C13A P2A C26A C27A 62.1(3) . . . . ? Pt1A P2A C26A C27A -65.0(3) . . . . ? C31A C26A C27A C28A 0.2(6) . . . . ? P2A C26A C27A C28A 177.4(3) . . . . ? C26A C27A C28A C29A 0.4(7) . . . . ? C27A C28A C29A C30A -0.8(8) . . . . ? C28A C29A C30A C31A 0.7(8) . . . . ? C27A C26A C31A C30A -0.3(6) . . . . ? P2A C26A C31A C30A -177.3(4) . . . . ? C29A C30A C31A C26A -0.2(8) . . . . ? C26A P2A C32A C37A 106.1(3) . . . . ? C13A P2A C32A C37A -149.4(3) . . . . ? Pt1A P2A C32A C37A -20.1(3) . . . . ? C26A P2A C32A C33A -71.6(3) . . . . ? C13A P2A C32A C33A 32.9(4) . . . . ? Pt1A P2A C32A C33A 162.2(3) . . . . ? C37A C32A C33A C34A -0.1(6) . . . . ? P2A C32A C33A C34A 177.6(3) . . . . ? C32A C33A C34A C35A -0.5(7) . . . . ? C33A C34A C35A C36A 1.0(7) . . . . ? C34A C35A C36A C37A -0.8(6) . . . . ? C35A C36A C37A C32A 0.2(6) . . . . ? C33A C32A C37A C36A 0.3(6) . . . . ? P2A C32A C37A C36A -177.5(3) . . . . ? C3A2 C2A C3A1 C4A1 -55.0(16) . . . . ? C1A C2A C3A1 C4A1 178.9(8) . . . . ? C2A C3A1 C4A1 C5A1 131.4(19) . . . . ? C1A C2A C3A2 C4A2 174.0(7) . . . . ? C3A1 C2A C3A2 C4A2 114(2) . . . . ? C2A C3A2 C4A2 C5A2 -118.5(14) . . . . ? C1B Pt1B P1B C20B -88.11(15) . . . . ? C6B Pt1B P1B C20B -38.0(9) . . . . ? P2B Pt1B P1B C20B 92.33(12) . . . . ? C1B Pt1B P1B C14B 30.79(16) . . . . ? C6B Pt1B P1B C14B 81.0(9) . . . . ? P2B Pt1B P1B C14B -148.77(13) . . . . ? C1B Pt1B P1B C11B 149.56(17) . . . . ? C6B Pt1B P1B C11B -160.3(9) . . . . ? P2B Pt1B P1B C11B -30.00(14) . . . . ? C1B Pt1B P2B C32B 104.1(13) . . . . ? C6B Pt1B P2B C32B 93.56(16) . . . . ? P1B Pt1B P2B C32B -81.86(14) . . . . ? C1B Pt1B P2B C26B -18.1(14) . . . . ? C6B Pt1B P2B C26B -28.61(17) . . . . ? P1B Pt1B P2B C26B 155.98(15) . . . . ? C1B Pt1B P2B C13B -138.5(13) . . . . ? C6B Pt1B P2B C13B -149.03(17) . . . . ? P1B Pt1B P2B C13B 35.56(14) . . . . ? C6B Pt1B C1B C2B 76.2(3) . . . . ? P1B Pt1B C1B C2B -108.4(3) . . . . ? P2B Pt1B C1B C2B 65.6(14) . . . . ? Pt1B C1B C2B C3B -175.6(3) . . . . ? C1B C2B C3B C4B2 -173.7(6) . . . . ? C1B C2B C3B C4B1 160.2(7) . . . . ? C1B Pt1B C6B C7B 107.6(3) . . . . ? P1B Pt1B C6B C7B 57.2(10) . . . . ? P2B Pt1B C6B C7B -73.2(3) . . . . ? Pt1B C6B C7B C8B 175.6(3) . . . . ? C6B C7B C8B C9B -171.3(4) . . . . ? C7B C8B C9B C10B 125.2(7) . . . . ? C7B C8B C9B C10C 80(2) . . . . ? C20B P1B C11B C12B -77.2(3) . . . . ? C14B P1B C11B C12B 175.9(3) . . . . ? Pt1B P1B C11B C12B 47.8(3) . . . . ? P1B C11B C12B C13B -69.8(4) . . . . ? C11B C12B C13B P2B 77.9(4) . . . . ? C32B P2B C13B C12B 64.1(3) . . . . ? C26B P2B C13B C12B 169.3(3) . . . . ? Pt1B P2B C13B C12B -61.9(3) . . . . ? C20B P1B C14B C19B 5.8(3) . . . . ? C11B P1B C14B C19B 114.8(3) . . . . ? Pt1B P1B C14B C19B -117.3(3) . . . . ? C20B P1B C14B C15B -174.3(3) . . . . ? C11B P1B C14B C15B -65.3(3) . . . . ? Pt1B P1B C14B C15B 62.7(3) . . . . ? C19B C14B C15B C16B -1.1(5) . . . . ? P1B C14B C15B C16B 178.9(3) . . . . ? C14B C15B C16B C17B 1.5(6) . . . . ? C15B C16B C17B C18B -0.4(6) . . . . ? C16B C17B C18B C19B -1.0(6) . . . . ? C17B C18B C19B C14B 1.4(6) . . . . ? C15B C14B C19B C18B -0.3(5) . . . . ? P1B C14B C19B C18B 179.6(3) . . . . ? C14B P1B C20B C21B -91.6(3) . . . . ? C11B P1B C20B C21B 164.3(3) . . . . ? Pt1B P1B C20B C21B 35.6(3) . . . . ? C14B P1B C20B C25B 85.9(3) . . . . ? C11B P1B C20B C25B -18.2(3) . . . . ? Pt1B P1B C20B C25B -146.9(3) . . . . ? C25B C20B C21B C22B -0.6(6) . . . . ? P1B C20B C21B C22B 177.0(3) . . . . ? C20B C21B C22B C23B 0.6(6) . . . . ? C21B C22B C23B C24B -0.1(6) . . . . ? C22B C23B C24B C25B -0.4(6) . . . . ? C23B C24B C25B C20B 0.4(6) . . . . ? C21B C20B C25B C24B 0.1(5) . . . . ? P1B C20B C25B C24B -177.4(3) . . . . ? C32B P2B C26B C27B -33.5(4) . . . . ? C13B P2B C26B C27B -138.1(3) . . . . ? Pt1B P2B C26B C27B 95.8(3) . . . . ? C32B P2B C26B C31B 150.2(3) . . . . ? C13B P2B C26B C31B 45.5(4) . . . . ? Pt1B P2B C26B C31B -80.6(3) . . . . ? C31B C26B C27B C28B -0.3(6) . . . . ? P2B C26B C27B C28B -176.7(4) . . . . ? C26B C27B C28B C29B -1.1(7) . . . . ? C27B C28B C29B C30B 1.7(8) . . . . ? C28B C29B C30B C31B -1.0(8) . . . . ? C29B C30B C31B C26B -0.4(7) . . . . ? C27B C26B C31B C30B 1.1(6) . . . . ? P2B C26B C31B C30B 177.5(3) . . . . ? C26B P2B C32B C37B 130.5(3) . . . . ? C13B P2B C32B C37B -123.9(3) . . . . ? Pt1B P2B C32B C37B 0.2(4) . . . . ? C26B P2B C32B C33B -51.5(4) . . . . ? C13B P2B C32B C33B 54.1(4) . . . . ? Pt1B P2B C32B C33B 178.2(3) . . . . ? C37B C32B C33B C34B -0.7(7) . . . . ? P2B C32B C33B C34B -178.7(4) . . . . ? C32B C33B C34B C35B -0.2(8) . . . . ? C33B C34B C35B C36B 0.9(9) . . . . ? C34B C35B C36B C37B -0.8(9) . . . . ? C33B C32B C37B C36B 0.8(6) . . . . ? P2B C32B C37B C36B 178.9(4) . . . . ? C35B C36B C37B C32B -0.1(8) . . . . ? C4B2 C3B C4B1 C5B1 41.6(14) . . . . ? C2B C3B C4B1 C5B1 133.9(13) . . . . ? C2B C3B C4B2 C5B2 -11.9(16) . . . . ? C4B1 C3B C4B2 C5B2 86(2) . . . . ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 26.02 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 1.212 _refine_diff_density_min -0.720 _refine_diff_density_rms 0.085 #====== #second data data_rk417 _database_code_depnum_ccdc_archive 'CCDC 630920' _audit_creation_method SHELXL-97 _chemical_name_systematic ; (1-butenyl){bis(diphenylphosphino)ethane}(1-pentenyl)platinum(II) ; _chemical_melting_point 162-166\%C _chemical_formula_moiety C35H40P2Pt _chemical_formula_sum 'C35 H40 P2 Pt' _chemical_formula_weight 717.70 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' 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' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 10.2728(2) _cell_length_b 10.9231(2) _cell_length_c 13.9720(2) _cell_angle_alpha 82.1270(10) _cell_angle_beta 77.6400(10) _cell_angle_gamma 85.7330(10) _cell_volume 1515.39(5) _cell_formula_units_Z 2 _cell_measurement_temperature 113(2) _cell_measurement_reflns_used 32938 _cell_measurement_theta_min 2.71 _cell_measurement_theta_max 25.67 _exptl_crystal_description Prism _exptl_crystal_colour 'light yellow' _exptl_crystal_size_max 0.07 _exptl_crystal_size_mid 0.07 _exptl_crystal_size_min 0.06 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.573 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 716 _exptl_absorpt_coefficient_mu 4.758 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.7318 _exptl_absorpt_correction_T_max 0.7634 _exptl_absorpt_process_details 'SADABS (Sheldrick, 1997)' _exptl_special_details ; Half sphere of data collected using COLLECT strategy (Nonius, 2000). Crystal to detector distance = 30mm; combination of \f and \w scans of 1.2\%, 40s per \%, 2 iterations. ; _diffrn_ambient_temperature 113(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Nonius Kappa CCD diffractometer' _diffrn_measurement_method '1.2\% \f scans and \w scans' _diffrn_reflns_number 32938 _diffrn_reflns_av_R_equivalents 0.0386 _diffrn_reflns_av_sigmaI/netI 0.0281 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_theta_min 2.71 _diffrn_reflns_theta_max 25.67 _reflns_number_total 5693 _reflns_number_gt 5173 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'COLLECT program (Nonius, 2000)' _computing_cell_refinement 'DENZO-SMN (Otwinowski & Minor, 1997)' _computing_data_reduction 'DENZO-SMN (Otwinowski & Minor, 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'X-Seed (Barbour, 2001)' _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^)+(0.0526P)^2^+5.0216P] 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 mixed _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0021(5) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 5693 _refine_ls_number_parameters 316 _refine_ls_number_restraints 5 _refine_ls_R_factor_all 0.0421 _refine_ls_R_factor_gt 0.0360 _refine_ls_wR_factor_ref 0.0960 _refine_ls_wR_factor_gt 0.0924 _refine_ls_goodness_of_fit_ref 1.092 _refine_ls_restrained_S_all 1.092 _refine_ls_shift/su_max 0.018 _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 0.75732(2) 0.846772(19) 0.238285(14) 0.02800(11) Uani 1 1 d . . . P1 P 0.60384(15) 0.78923(13) 0.15946(10) 0.0287(3) Uani 1 1 d . . . P2 P 0.64173(14) 1.03380(13) 0.23896(10) 0.0287(3) Uani 1 1 d . . . C46 C 0.8006(7) 1.1161(6) 0.0572(5) 0.0408(14) Uani 1 1 d . . . H46 H 0.8180 1.0305 0.0515 0.049 Uiso 1 1 calc R . . C11 C 0.6626(6) 0.7249(5) 0.0432(4) 0.0308(12) Uani 1 1 d . . . C41 C 0.7176(6) 1.1532(5) 0.1423(4) 0.0304(12) Uani 1 1 d . . . C1 C 0.5070(6) 0.9292(5) 0.1220(4) 0.0340(12) Uani 1 1 d . . . H1A H 0.5568 0.9734 0.0599 0.041 Uiso 1 1 calc R . . H1B H 0.4209 0.9062 0.1102 0.041 Uiso 1 1 calc R . . C32 C 0.4626(7) 1.1238(6) 0.4005(5) 0.0485(17) Uani 1 1 d . . . H32 H 0.3932 1.0950 0.3753 0.058 Uiso 1 1 calc R . . C2 C 0.4815(6) 1.0142(5) 0.2042(4) 0.0331(12) Uani 1 1 d . . . H2A H 0.4173 0.9769 0.2623 0.040 Uiso 1 1 calc R . . H2B H 0.4432 1.0956 0.1804 0.040 Uiso 1 1 calc R . . C21 C 0.4816(6) 0.6792(5) 0.2296(4) 0.0308(12) Uani 1 1 d . . . C12 C 0.7975(7) 0.7336(6) -0.0021(4) 0.0412(15) Uani 1 1 d . . . H12 H 0.8564 0.7694 0.0289 0.049 Uiso 1 1 calc R . . C26 C 0.3446(7) 0.7066(7) 0.2500(5) 0.0457(15) Uani 1 1 d . . . H26 H 0.3090 0.7832 0.2230 0.055 Uiso 1 1 calc R . . C23 C 0.4457(7) 0.4812(6) 0.3290(4) 0.0406(14) Uani 1 1 d . . . H23 H 0.4808 0.4042 0.3557 0.049 Uiso 1 1 calc R . . C16 C 0.5771(7) 0.6730(5) -0.0034(4) 0.0359(13) Uani 1 1 d . . . H16 H 0.4851 0.6679 0.0264 0.043 Uiso 1 1 calc R . . C45 C 0.8573(7) 1.2031(6) -0.0188(5) 0.0463(16) Uani 1 1 d . . . H45 H 0.9130 1.1767 -0.0766 0.056 Uiso 1 1 calc R . . C24 C 0.3105(8) 0.5089(6) 0.3503(5) 0.0479(17) Uani 1 1 d . . . H24 H 0.2521 0.4514 0.3922 0.058 Uiso 1 1 calc R . . C22 C 0.5299(6) 0.5655(5) 0.2689(4) 0.0356(13) Uani 1 1 d . . . H22 H 0.6230 0.5454 0.2540 0.043 Uiso 1 1 calc R . . C31 C 0.5943(6) 1.1114(5) 0.3493(4) 0.0334(12) Uani 1 1 d . . . C33 C 0.4311(8) 1.1774(6) 0.4875(5) 0.055(2) Uani 1 1 d . . . H33 H 0.3407 1.1843 0.5213 0.066 Uiso 1 1 calc R . . C25 C 0.2602(7) 0.6200(8) 0.3107(6) 0.0557(18) Uani 1 1 d . . . H25 H 0.1666 0.6381 0.3247 0.067 Uiso 1 1 calc R . . C61 C 0.8639(6) 0.6706(5) 0.2401(4) 0.0305(12) Uani 1 1 d . . . H61A H 0.8350 0.6217 0.1944 0.037 Uiso 1 1 calc R . . H61B H 0.9605 0.6830 0.2165 0.037 Uiso 1 1 calc R . . C42 C 0.6964(6) 1.2786(5) 0.1497(4) 0.0324(12) Uani 1 1 d . . . H42 H 0.6422 1.3052 0.2079 0.039 Uiso 1 1 calc R . . C15 C 0.6262(7) 0.6287(6) -0.0930(5) 0.0420(15) Uani 1 1 d . . . H15 H 0.5680 0.5923 -0.1243 0.050 Uiso 1 1 calc R . . C14 C 0.7606(7) 0.6375(6) -0.1374(4) 0.0446(15) Uani 1 1 d . . . H14 H 0.7938 0.6071 -0.1990 0.053 Uiso 1 1 calc R . . C43 C 0.7537(6) 1.3660(6) 0.0731(5) 0.0397(14) Uani 1 1 d . . . H43 H 0.7377 1.4517 0.0790 0.048 Uiso 1 1 calc R . . C44 C 0.8338(6) 1.3284(6) -0.0116(5) 0.0404(14) Uani 1 1 d . . . H44 H 0.8723 1.3878 -0.0642 0.049 Uiso 1 1 calc R . . C13 C 0.8453(7) 0.6895(7) -0.0928(5) 0.0488(17) Uani 1 1 d . . . H13 H 0.9368 0.6957 -0.1236 0.059 Uiso 1 1 calc R . . C51 C 0.9068(6) 0.9027(6) 0.3060(6) 0.0441(15) Uani 1 1 d . . . H51A H 0.8621 0.9357 0.3679 0.053 Uiso 1 1 calc R . . H51B H 0.9621 0.8285 0.3242 0.053 Uiso 1 1 calc R . . C36 C 0.6916(8) 1.1537(8) 0.3893(5) 0.0549(19) Uani 1 1 d . . . H36 H 0.7824 1.1453 0.3569 0.066 Uiso 1 1 calc R . . C34 C 0.5275(9) 1.2198(7) 0.5248(5) 0.056(2) Uani 1 1 d . . . H34 H 0.5049 1.2573 0.5840 0.067 Uiso 1 1 calc R . . C52 C 0.9975(6) 0.9979(8) 0.2448(7) 0.062(2) Uani 1 1 d D . . H52A H 0.9441 1.0755 0.2324 0.075 Uiso 1 1 calc R . . H52B H 1.0360 0.9689 0.1801 0.075 Uiso 1 1 calc R . . C35 C 0.6594(10) 1.2087(9) 0.4765(6) 0.068(2) Uani 1 1 d . . . H35 H 0.7278 1.2382 0.5024 0.082 Uiso 1 1 calc R . . C62 C 0.8399(7) 0.5989(5) 0.3437(5) 0.0486(17) Uani 1 1 d D . . H62A H 0.8789 0.6423 0.3878 0.058 Uiso 1 1 calc R . . H62B H 0.7428 0.5947 0.3707 0.058 Uiso 1 1 calc R . . C63 C 0.9027(10) 0.4687(6) 0.3405(7) 0.080(3) Uiso 1 1 d D . . H63A H 0.8322 0.4131 0.3377 0.096 Uiso 1 1 calc R . . H63B H 0.9695 0.4683 0.2778 0.096 Uiso 1 1 calc R . . C53 C 1.1108(9) 1.0260(10) 0.2917(7) 0.086(3) Uiso 1 1 d D . . H53 H 1.1957 1.0347 0.2487 0.103 Uiso 1 1 calc R . . C64 C 0.9706(10) 0.4124(8) 0.4239(7) 0.086 Uiso 1 1 d D . . H64 H 0.9929 0.4683 0.4637 0.103 Uiso 1 1 calc R . . C54 C 1.1059(12) 1.0389(10) 0.3799(6) 0.086 Uiso 1 1 d D . . H54A H 1.0238 1.0313 0.4265 0.103 Uiso 1 1 calc R . . H54B H 1.1843 1.0564 0.4004 0.103 Uiso 1 1 calc R . . C65 C 1.0001(11) 0.3005(8) 0.4455(8) 0.086 Uiso 1 1 d D . . H65A H 0.9800 0.2408 0.4081 0.103 Uiso 1 1 calc R . . H65B H 1.0427 0.2751 0.4995 0.103 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 0.03222(15) 0.02835(14) 0.02379(14) -0.00210(8) -0.00569(8) -0.00608(8) P1 0.0371(8) 0.0287(7) 0.0217(7) -0.0023(5) -0.0087(6) -0.0054(6) P2 0.0317(7) 0.0279(7) 0.0260(7) -0.0044(5) -0.0021(6) -0.0071(6) C46 0.053(4) 0.030(3) 0.036(3) -0.011(3) 0.003(3) -0.003(3) C11 0.044(3) 0.029(3) 0.020(2) 0.002(2) -0.010(2) -0.007(2) C41 0.031(3) 0.033(3) 0.027(3) -0.003(2) -0.004(2) -0.004(2) C1 0.035(3) 0.035(3) 0.032(3) 0.003(2) -0.011(2) -0.009(2) C32 0.052(4) 0.038(4) 0.051(4) -0.013(3) 0.010(3) -0.018(3) C2 0.032(3) 0.030(3) 0.037(3) -0.002(2) -0.007(2) -0.003(2) C21 0.033(3) 0.039(3) 0.023(3) -0.007(2) -0.005(2) -0.009(2) C12 0.050(4) 0.049(4) 0.026(3) -0.005(3) -0.004(3) -0.017(3) C26 0.048(4) 0.044(4) 0.046(4) 0.003(3) -0.013(3) -0.008(3) C23 0.058(4) 0.031(3) 0.031(3) -0.001(2) -0.005(3) -0.010(3) C16 0.048(4) 0.033(3) 0.029(3) -0.005(2) -0.010(3) -0.004(3) C45 0.053(4) 0.045(4) 0.033(3) -0.007(3) 0.011(3) -0.007(3) C24 0.062(4) 0.043(4) 0.036(3) -0.003(3) 0.001(3) -0.020(3) C22 0.044(3) 0.033(3) 0.030(3) -0.003(2) -0.006(2) -0.004(3) C31 0.043(3) 0.029(3) 0.024(3) 0.001(2) 0.001(2) -0.007(2) C33 0.072(5) 0.035(4) 0.041(4) -0.006(3) 0.027(4) -0.008(3) C25 0.038(4) 0.064(5) 0.061(5) 0.000(4) -0.004(3) -0.010(3) C61 0.037(3) 0.033(3) 0.023(3) -0.003(2) -0.006(2) -0.010(2) C42 0.036(3) 0.031(3) 0.028(3) -0.007(2) 0.000(2) -0.002(2) C15 0.058(4) 0.039(3) 0.033(3) -0.008(3) -0.015(3) -0.007(3) C14 0.061(4) 0.047(4) 0.025(3) -0.007(3) -0.006(3) -0.004(3) C43 0.045(3) 0.029(3) 0.041(3) -0.003(3) -0.001(3) -0.001(3) C44 0.043(3) 0.036(3) 0.036(3) 0.004(3) 0.001(3) -0.006(3) C13 0.052(4) 0.064(5) 0.028(3) -0.005(3) 0.003(3) -0.015(3) C51 0.038(3) 0.037(3) 0.065(4) -0.007(3) -0.026(3) -0.003(3) C36 0.056(4) 0.073(5) 0.041(4) -0.030(4) -0.006(3) -0.002(4) C34 0.093(6) 0.048(4) 0.021(3) -0.006(3) 0.000(3) 0.003(4) C52 0.036(4) 0.054(5) 0.097(6) -0.033(4) 0.005(4) -0.010(3) C35 0.081(6) 0.084(6) 0.049(4) -0.036(4) -0.022(4) 0.007(5) C62 0.065(5) 0.042(4) 0.042(4) 0.008(3) -0.024(3) -0.013(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 Pt1 C51 2.133(6) . ? Pt1 C61 2.142(6) . ? Pt1 P1 2.2748(14) . ? Pt1 P2 2.2855(15) . ? P1 C11 1.824(6) . ? P1 C21 1.832(6) . ? P1 C1 1.838(6) . ? P2 C31 1.818(6) . ? P2 C41 1.830(6) . ? P2 C2 1.847(6) . ? C46 C45 1.383(9) . ? C46 C41 1.397(8) . ? C46 H46 0.9500 . ? C11 C16 1.391(8) . ? C11 C12 1.399(9) . ? C41 C42 1.385(8) . ? C1 C2 1.541(8) . ? C1 H1A 0.9900 . ? C1 H1B 0.9900 . ? C32 C33 1.388(10) . ? C32 C31 1.395(9) . ? C32 H32 0.9500 . ? C2 H2A 0.9900 . ? C2 H2B 0.9900 . ? C21 C22 1.389(9) . ? C21 C26 1.393(9) . ? C12 C13 1.393(9) . ? C12 H12 0.9500 . ? C26 C25 1.398(10) . ? C26 H26 0.9500 . ? C23 C24 1.376(10) . ? C23 C22 1.377(9) . ? C23 H23 0.9500 . ? C16 C15 1.385(9) . ? C16 H16 0.9500 . ? C45 C44 1.386(9) . ? C45 H45 0.9500 . ? C24 C25 1.375(11) . ? C24 H24 0.9500 . ? C22 H22 0.9500 . ? C31 C36 1.380(9) . ? C33 C34 1.350(12) . ? C33 H33 0.9500 . ? C25 H25 0.9500 . ? C61 C62 1.529(8) . ? C61 H61A 0.9900 . ? C61 H61B 0.9900 . ? C42 C43 1.392(8) . ? C42 H42 0.9500 . ? C15 C14 1.392(10) . ? C15 H15 0.9500 . ? C14 C13 1.369(10) . ? C14 H14 0.9500 . ? C43 C44 1.383(9) . ? C43 H43 0.9500 . ? C44 H44 0.9500 . ? C13 H13 0.9500 . ? C51 C52 1.496(10) . ? C51 H51A 0.9900 . ? C51 H51B 0.9900 . ? C36 C35 1.397(10) . ? C36 H36 0.9500 . ? C34 C35 1.383(12) . ? C34 H34 0.9500 . ? C52 C53 1.5202(10) . ? C52 H52A 0.9900 . ? C52 H52B 0.9900 . ? C35 H35 0.9500 . ? C62 C63 1.5199(10) . ? C62 H62A 0.9900 . ? C62 H62B 0.9900 . ? C63 C64 1.5195(10) . ? C63 H63A 0.9900 . ? C63 H63B 0.9900 . ? C53 C54 1.2501(10) . ? C53 H53 0.9500 . ? C64 C65 1.2501(10) . ? C64 H64 0.9500 . ? C54 H54A 0.9500 . ? C54 H54B 0.9500 . ? C65 H65A 0.9500 . ? C65 H65B 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 C51 Pt1 C61 85.7(2) . . ? C51 Pt1 P1 177.5(2) . . ? C61 Pt1 P1 94.10(15) . . ? C51 Pt1 P2 94.22(18) . . ? C61 Pt1 P2 179.06(15) . . ? P1 Pt1 P2 86.01(5) . . ? C11 P1 C21 103.1(3) . . ? C11 P1 C1 102.3(3) . . ? C21 P1 C1 106.0(3) . . ? C11 P1 Pt1 118.6(2) . . ? C21 P1 Pt1 117.40(18) . . ? C1 P1 Pt1 107.77(19) . . ? C31 P2 C41 104.6(3) . . ? C31 P2 C2 104.1(3) . . ? C41 P2 C2 102.5(3) . . ? C31 P2 Pt1 122.2(2) . . ? C41 P2 Pt1 113.95(19) . . ? C2 P2 Pt1 107.42(19) . . ? C45 C46 C41 120.5(6) . . ? C45 C46 H46 119.8 . . ? C41 C46 H46 119.8 . . ? C16 C11 C12 119.4(5) . . ? C16 C11 P1 122.3(5) . . ? C12 C11 P1 118.2(4) . . ? C42 C41 C46 118.6(5) . . ? C42 C41 P2 123.0(4) . . ? C46 C41 P2 118.5(4) . . ? C2 C1 P1 109.4(4) . . ? C2 C1 H1A 109.8 . . ? P1 C1 H1A 109.8 . . ? C2 C1 H1B 109.8 . . ? P1 C1 H1B 109.8 . . ? H1A C1 H1B 108.3 . . ? C33 C32 C31 121.2(7) . . ? C33 C32 H32 119.4 . . ? C31 C32 H32 119.4 . . ? C1 C2 P2 108.6(4) . . ? C1 C2 H2A 110.0 . . ? P2 C2 H2A 110.0 . . ? C1 C2 H2B 110.0 . . ? P2 C2 H2B 110.0 . . ? H2A C2 H2B 108.4 . . ? C22 C21 C26 118.8(6) . . ? C22 C21 P1 117.6(4) . . ? C26 C21 P1 123.5(5) . . ? C13 C12 C11 120.0(6) . . ? C13 C12 H12 120.0 . . ? C11 C12 H12 120.0 . . ? C21 C26 C25 119.2(6) . . ? C21 C26 H26 120.4 . . ? C25 C26 H26 120.4 . . ? C24 C23 C22 119.8(6) . . ? C24 C23 H23 120.1 . . ? C22 C23 H23 120.1 . . ? C15 C16 C11 120.0(6) . . ? C15 C16 H16 120.0 . . ? C11 C16 H16 120.0 . . ? C46 C45 C44 120.6(6) . . ? C46 C45 H45 119.7 . . ? C44 C45 H45 119.7 . . ? C25 C24 C23 119.8(6) . . ? C25 C24 H24 120.1 . . ? C23 C24 H24 120.1 . . ? C23 C22 C21 121.4(6) . . ? C23 C22 H22 119.3 . . ? C21 C22 H22 119.3 . . ? C36 C31 C32 117.2(6) . . ? C36 C31 P2 119.8(5) . . ? C32 C31 P2 122.9(5) . . ? C34 C33 C32 120.7(7) . . ? C34 C33 H33 119.6 . . ? C32 C33 H33 119.6 . . ? C24 C25 C26 121.0(7) . . ? C24 C25 H25 119.5 . . ? C26 C25 H25 119.5 . . ? C62 C61 Pt1 111.5(4) . . ? C62 C61 H61A 109.3 . . ? Pt1 C61 H61A 109.3 . . ? C62 C61 H61B 109.3 . . ? Pt1 C61 H61B 109.3 . . ? H61A C61 H61B 108.0 . . ? C41 C42 C43 120.9(5) . . ? C41 C42 H42 119.6 . . ? C43 C42 H42 119.6 . . ? C16 C15 C14 120.2(6) . . ? C16 C15 H15 119.9 . . ? C14 C15 H15 119.9 . . ? C13 C14 C15 120.3(6) . . ? C13 C14 H14 119.9 . . ? C15 C14 H14 119.9 . . ? C44 C43 C42 120.1(6) . . ? C44 C43 H43 119.9 . . ? C42 C43 H43 119.9 . . ? C43 C44 C45 119.3(6) . . ? C43 C44 H44 120.3 . . ? C45 C44 H44 120.3 . . ? C14 C13 C12 120.1(6) . . ? C14 C13 H13 119.9 . . ? C12 C13 H13 119.9 . . ? C52 C51 Pt1 115.8(5) . . ? C52 C51 H51A 108.3 . . ? Pt1 C51 H51A 108.3 . . ? C52 C51 H51B 108.3 . . ? Pt1 C51 H51B 108.3 . . ? H51A C51 H51B 107.4 . . ? C31 C36 C35 121.5(7) . . ? C31 C36 H36 119.3 . . ? C35 C36 H36 119.3 . . ? C33 C34 C35 119.8(6) . . ? C33 C34 H34 120.1 . . ? C35 C34 H34 120.1 . . ? C51 C52 C53 114.1(8) . . ? C51 C52 H52A 108.7 . . ? C53 C52 H52A 108.7 . . ? C51 C52 H52B 108.7 . . ? C53 C52 H52B 108.7 . . ? H52A C52 H52B 107.6 . . ? C34 C35 C36 119.6(8) . . ? C34 C35 H35 120.2 . . ? C36 C35 H35 120.2 . . ? C63 C62 C61 110.2(6) . . ? C63 C62 H62A 109.6 . . ? C61 C62 H62A 109.6 . . ? C63 C62 H62B 109.6 . . ? C61 C62 H62B 109.6 . . ? H62A C62 H62B 108.1 . . ? C64 C63 C62 118.4(7) . . ? C64 C63 H63A 107.7 . . ? C62 C63 H63A 107.7 . . ? C64 C63 H63B 107.7 . . ? C62 C63 H63B 107.7 . . ? H63A C63 H63B 107.1 . . ? C54 C53 C52 127.9(10) . . ? C54 C53 H53 116.1 . . ? C52 C53 H53 116.1 . . ? C65 C64 C63 126.8(9) . . ? C65 C64 H64 116.6 . . ? C63 C64 H64 116.6 . . ? C53 C54 H54A 120.0 . . ? C53 C54 H54B 120.0 . . ? H54A C54 H54B 120.0 . . ? C64 C65 H65A 120.0 . . ? C64 C65 H65B 120.0 . . ? H65A C65 H65B 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 C51 Pt1 P1 C11 32(4) . . . . ? C61 Pt1 P1 C11 -54.0(3) . . . . ? P2 Pt1 P1 C11 126.9(2) . . . . ? C51 Pt1 P1 C21 157(4) . . . . ? C61 Pt1 P1 C21 71.0(3) . . . . ? P2 Pt1 P1 C21 -108.1(2) . . . . ? C51 Pt1 P1 C1 -84(4) . . . . ? C61 Pt1 P1 C1 -169.5(2) . . . . ? P2 Pt1 P1 C1 11.4(2) . . . . ? C51 Pt1 P2 C31 -50.0(3) . . . . ? C61 Pt1 P2 C31 36(9) . . . . ? P1 Pt1 P2 C31 132.5(2) . . . . ? C51 Pt1 P2 C41 77.2(3) . . . . ? C61 Pt1 P2 C41 163(9) . . . . ? P1 Pt1 P2 C41 -100.3(2) . . . . ? C51 Pt1 P2 C2 -170.0(3) . . . . ? C61 Pt1 P2 C2 -84(9) . . . . ? P1 Pt1 P2 C2 12.5(2) . . . . ? C21 P1 C11 C16 39.9(5) . . . . ? C1 P1 C11 C16 -70.1(5) . . . . ? Pt1 P1 C11 C16 171.6(4) . . . . ? C21 P1 C11 C12 -142.9(5) . . . . ? C1 P1 C11 C12 107.2(5) . . . . ? Pt1 P1 C11 C12 -11.2(6) . . . . ? C45 C46 C41 C42 -1.6(10) . . . . ? C45 C46 C41 P2 178.4(5) . . . . ? C31 P2 C41 C42 -19.6(6) . . . . ? C2 P2 C41 C42 88.8(5) . . . . ? Pt1 P2 C41 C42 -155.4(4) . . . . ? C31 P2 C41 C46 160.5(5) . . . . ? C2 P2 C41 C46 -91.1(5) . . . . ? Pt1 P2 C41 C46 24.6(5) . . . . ? C11 P1 C1 C2 -164.7(4) . . . . ? C21 P1 C1 C2 87.6(4) . . . . ? Pt1 P1 C1 C2 -38.9(4) . . . . ? P1 C1 C2 P2 50.0(5) . . . . ? C31 P2 C2 C1 -170.3(4) . . . . ? C41 P2 C2 C1 81.0(4) . . . . ? Pt1 P2 C2 C1 -39.4(4) . . . . ? C11 P1 C21 C22 74.5(5) . . . . ? C1 P1 C21 C22 -178.4(4) . . . . ? Pt1 P1 C21 C22 -57.9(5) . . . . ? C11 P1 C21 C26 -109.4(5) . . . . ? C1 P1 C21 C26 -2.2(6) . . . . ? Pt1 P1 C21 C26 118.2(5) . . . . ? C16 C11 C12 C13 -0.4(10) . . . . ? P1 C11 C12 C13 -177.7(5) . . . . ? C22 C21 C26 C25 1.1(9) . . . . ? P1 C21 C26 C25 -175.0(5) . . . . ? C12 C11 C16 C15 0.9(9) . . . . ? P1 C11 C16 C15 178.1(5) . . . . ? C41 C46 C45 C44 0.5(11) . . . . ? C22 C23 C24 C25 0.6(10) . . . . ? C24 C23 C22 C21 0.6(9) . . . . ? C26 C21 C22 C23 -1.5(9) . . . . ? P1 C21 C22 C23 174.9(5) . . . . ? C33 C32 C31 C36 0.5(10) . . . . ? C33 C32 C31 P2 176.3(5) . . . . ? C41 P2 C31 C36 -65.3(6) . . . . ? C2 P2 C31 C36 -172.5(6) . . . . ? Pt1 P2 C31 C36 65.9(6) . . . . ? C41 P2 C31 C32 119.0(6) . . . . ? C2 P2 C31 C32 11.8(6) . . . . ? Pt1 P2 C31 C32 -109.8(5) . . . . ? C31 C32 C33 C34 0.4(11) . . . . ? C23 C24 C25 C26 -1.0(11) . . . . ? C21 C26 C25 C24 0.1(11) . . . . ? C51 Pt1 C61 C62 75.3(5) . . . . ? P1 Pt1 C61 C62 -107.2(4) . . . . ? P2 Pt1 C61 C62 -11(10) . . . . ? C46 C41 C42 C43 1.6(9) . . . . ? P2 C41 C42 C43 -178.3(5) . . . . ? C11 C16 C15 C14 -0.8(9) . . . . ? C16 C15 C14 C13 0.2(10) . . . . ? C41 C42 C43 C44 -0.5(10) . . . . ? C42 C43 C44 C45 -0.6(10) . . . . ? C46 C45 C44 C43 0.6(11) . . . . ? C15 C14 C13 C12 0.4(11) . . . . ? C11 C12 C13 C14 -0.2(11) . . . . ? C61 Pt1 C51 C52 112.9(5) . . . . ? P1 Pt1 C51 C52 27(4) . . . . ? P2 Pt1 C51 C52 -68.0(5) . . . . ? C32 C31 C36 C35 -1.1(11) . . . . ? P2 C31 C36 C35 -177.1(7) . . . . ? C32 C33 C34 C35 -0.7(12) . . . . ? Pt1 C51 C52 C53 -174.3(6) . . . . ? C33 C34 C35 C36 0.1(13) . . . . ? C31 C36 C35 C34 0.8(14) . . . . ? Pt1 C61 C62 C63 173.1(5) . . . . ? C61 C62 C63 C64 141.1(8) . . . . ? C51 C52 C53 C54 -41.9(15) . . . . ? C62 C63 C64 C65 162.6(11) . . . . ? _diffrn_measured_fraction_theta_max 0.991 _diffrn_reflns_theta_full 25.67 _diffrn_measured_fraction_theta_full 0.991 _refine_diff_density_max 1.508 _refine_diff_density_min -2.513 _refine_diff_density_rms 0.143