# Electronic Supplementary Material (ESI) for Chemical Science # This journal is © The Royal Society of Chemistry 2013 ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # ####################################################################### data_oob _database_code_depnum_ccdc_archive 'CCDC 898629' #TrackingRef 'web_deposit_cif_file_0_OlegV.Ozerov_1346196088.oz274_jcd488.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C55 H42 B F22 N P2 Pt' _chemical_formula_weight 1402.74 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' B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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 P2(1)/n loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 15.6555(15) _cell_length_b 18.8680(18) _cell_length_c 18.2423(18) _cell_angle_alpha 90.00 _cell_angle_beta 98.7610(10) _cell_angle_gamma 90.00 _cell_volume 5325.7(9) _cell_formula_units_Z 4 _cell_measurement_temperature 110(2) _cell_measurement_reflns_used 9839 _cell_measurement_theta_min 2.26 _cell_measurement_theta_max 27.44 _exptl_crystal_description block _exptl_crystal_colour blue _exptl_crystal_size_max 0.15 _exptl_crystal_size_mid 0.13 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.749 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2760 _exptl_absorpt_coefficient_mu 2.812 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.6778 _exptl_absorpt_correction_T_max 0.7663 _exptl_absorpt_process_details 'SADABS; (Sheldrick, 2006)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 110(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 'APEX II' _diffrn_measurement_method 'omega scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 60872 _diffrn_reflns_av_R_equivalents 0.0480 _diffrn_reflns_av_sigmaI/netI 0.0393 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_h_max 20 _diffrn_reflns_limit_k_min -24 _diffrn_reflns_limit_k_max 24 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_theta_min 1.70 _diffrn_reflns_theta_max 27.50 _diffrn_standards_number 0 _diffrn_standards_interval_count 0 _diffrn_standards_decay_% 0 _reflns_number_total 12227 _reflns_number_gt 10874 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'APEX-II (BRUKER-NONIUS, 2003)' _computing_cell_refinement ; APEX-II(BRUKER-NONIUS, 2003) ; _computing_data_reduction APEX-II _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_molecular_graphics Olex2 _computing_publication_material 'Bruker SHELXTL' _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 [1.00000+-1.00000exp(-3.00(sin\q/\l)^2^)]/ [\s^2^(Fo^2^)+0.0000+46.3476*P+(0.0000P)^2^+0.0000sin\q/\l] where P = 0.33333Fo^2^ + 0.66667Fc^2^ ; _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 12227 _refine_ls_number_parameters 717 _refine_ls_number_restraints 25 _refine_ls_R_factor_all 0.0854 _refine_ls_R_factor_gt 0.0758 _refine_ls_wR_factor_ref 0.1738 _refine_ls_wR_factor_gt 0.1697 _refine_ls_goodness_of_fit_ref 1.029 _refine_ls_restrained_S_all 1.029 _refine_ls_shift/su_max 0.000 _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 B50 B 0.3610(7) 0.2100(4) 0.7470(5) 0.0239(18) Uani 1 1 d . . . C50 C 0.3797(5) 0.1452(4) 0.6905(4) 0.0212(15) Uani 1 1 d . . . C51 C 0.4588(6) 0.1216(5) 0.6757(5) 0.0262(16) Uani 1 1 d . . . C52 C 0.4682(5) 0.0626(4) 0.6309(4) 0.0244(16) Uani 1 1 d . . . C53 C 0.3987(6) 0.0256(4) 0.5993(5) 0.0270(17) Uani 1 1 d . . . C54 C 0.3166(6) 0.0456(5) 0.6124(5) 0.0287(17) Uani 1 1 d . . . C55 C 0.3104(6) 0.1037(4) 0.6584(4) 0.0247(16) Uani 1 1 d . . . C56 C 0.2829(6) 0.2649(5) 0.7114(4) 0.0313(18) Uani 1 1 d U . . C57 C 0.2542(6) 0.2776(5) 0.6362(5) 0.0286(17) Uani 1 1 d . . . C58 C 0.2013(7) 0.3323(5) 0.6083(5) 0.0330(19) Uani 1 1 d . . . C59 C 0.1739(6) 0.3801(5) 0.6569(6) 0.034(2) Uani 1 1 d . . . C60 C 0.2004(7) 0.3713(5) 0.7319(6) 0.0329(18) Uani 1 1 d U . . C61 C 0.2534(6) 0.3158(4) 0.7567(5) 0.0278(15) Uani 1 1 d U . . C62 C 0.4436(5) 0.2641(5) 0.7664(4) 0.0238(15) Uani 1 1 d . . . C63 C 0.4756(7) 0.2966(5) 0.7078(5) 0.0306(18) Uani 1 1 d . . . C64 C 0.5381(9) 0.3480(5) 0.7139(6) 0.043(3) Uani 1 1 d . . . C65 C 0.5737(7) 0.3717(5) 0.7836(6) 0.039(2) Uani 1 1 d . . . C66 C 0.5459(6) 0.3424(5) 0.8445(5) 0.0291(17) Uani 1 1 d . . . C67 C 0.4808(6) 0.2915(4) 0.8349(4) 0.0258(16) Uani 1 1 d . . . C68 C 0.3394(6) 0.1651(4) 0.8195(4) 0.0241(16) Uani 1 1 d . . . C69 C 0.4047(6) 0.1279(5) 0.8637(5) 0.0284(17) Uani 1 1 d . . . C70 C 0.3935(7) 0.0847(5) 0.9231(5) 0.0308(18) Uani 1 1 d . . . C71 C 0.3108(7) 0.0759(5) 0.9395(4) 0.032(2) Uani 1 1 d . . . C72 C 0.2426(6) 0.1104(5) 0.8980(5) 0.0288(18) Uani 1 1 d . . . C73 C 0.2568(7) 0.1526(5) 0.8396(5) 0.034(2) Uani 1 1 d . . . F50 F 0.5328(3) 0.1548(3) 0.7038(3) 0.0299(11) Uani 1 1 d . . . F51 F 0.5473(4) 0.0435(3) 0.6188(3) 0.0347(12) Uani 1 1 d . . . F52 F 0.4071(4) -0.0304(3) 0.5555(3) 0.0394(13) Uani 1 1 d . . . F53 F 0.2470(4) 0.0095(3) 0.5826(3) 0.0394(13) Uani 1 1 d . . . F54 F 0.2285(3) 0.1196(3) 0.6701(3) 0.0311(11) Uani 1 1 d . . . F55 F 0.2782(4) 0.2329(3) 0.5842(3) 0.0385(13) Uani 1 1 d . . . F56 F 0.1780(4) 0.3400(4) 0.5354(3) 0.0466(15) Uani 1 1 d . . . F57 F 0.1211(5) 0.4335(3) 0.6315(4) 0.0508(16) Uani 1 1 d . . . F58 F 0.1743(4) 0.4178(3) 0.7802(4) 0.0443(14) Uani 1 1 d . . . F59 F 0.2807(3) 0.3129(3) 0.8309(3) 0.0289(10) Uani 1 1 d U . . F60 F 0.4436(4) 0.2776(3) 0.6374(3) 0.0380(13) Uani 1 1 d . . . F61 F 0.5622(8) 0.3768(4) 0.6528(4) 0.082(3) Uani 1 1 d . . . F62 F 0.6328(5) 0.4240(4) 0.7917(4) 0.0561(18) Uani 1 1 d . . . F63 F 0.5785(4) 0.3650(3) 0.9129(3) 0.0380(12) Uani 1 1 d . . . F64 F 0.4555(4) 0.2677(3) 0.8981(3) 0.0354(11) Uani 1 1 d . . . F65 F 0.4862(4) 0.1335(3) 0.8496(3) 0.0375(13) Uani 1 1 d . . . F66 F 0.4601(5) 0.0527(3) 0.9633(3) 0.0452(14) Uani 1 1 d . . . F67 F 0.2967(5) 0.0345(3) 0.9964(3) 0.0447(15) Uani 1 1 d . . . F68 F 0.1622(4) 0.1034(3) 0.9146(3) 0.0350(12) Uani 1 1 d . . . F69 F 0.1859(3) 0.1821(3) 0.7997(3) 0.0276(10) Uani 1 1 d . . . C1 C 0.4564(5) 0.3890(4) 0.3693(4) 0.0216(15) Uani 1 1 d . . . C2 C 0.4366(5) 0.3348(4) 0.4174(4) 0.0202(14) Uani 1 1 d . . . C3 C 0.4072(5) 0.3546(5) 0.4838(4) 0.0235(15) Uani 1 1 d . . . H3 H 0.3959 0.3197 0.5186 0.028 Uiso 1 1 calc R . . C4 C 0.3952(6) 0.4259(5) 0.4975(4) 0.0264(16) Uani 1 1 d . . . C5 C 0.4088(6) 0.4779(5) 0.4486(5) 0.0275(17) Uani 1 1 d . . . H5 H 0.3963 0.5259 0.4584 0.033 Uiso 1 1 calc R . . C6 C 0.4409(6) 0.4597(4) 0.3843(5) 0.0253(16) Uani 1 1 d . . . H6 H 0.4522 0.4956 0.3505 0.030 Uiso 1 1 calc R . . C7 C 0.5089(5) 0.4183(4) 0.2475(4) 0.0231(15) Uani 1 1 d . . . C8 C 0.5682(6) 0.4727(5) 0.2657(5) 0.0268(16) Uani 1 1 d . . . H8 H 0.5938 0.4794 0.3159 0.032 Uiso 1 1 calc R . . C9 C 0.5900(6) 0.5169(5) 0.2116(5) 0.0275(17) Uani 1 1 d . . . H9 H 0.6296 0.5548 0.2240 0.033 Uiso 1 1 calc R . . C10 C 0.5536(6) 0.5054(5) 0.1391(5) 0.0263(17) Uani 1 1 d . . . C11 C 0.4950(6) 0.4521(5) 0.1188(5) 0.0267(16) Uani 1 1 d . . . H11 H 0.4700 0.4461 0.0683 0.032 Uiso 1 1 calc R . . C12 C 0.4727(5) 0.4065(4) 0.1740(4) 0.0218(15) Uani 1 1 d . . . C13 C 0.5249(6) 0.1938(5) 0.4323(5) 0.0328(19) Uani 1 1 d . . . H13 H 0.5143 0.1430 0.4183 0.039 Uiso 1 1 calc R . . C14 C 0.5337(8) 0.1972(6) 0.5163(6) 0.043(2) Uani 1 1 d . . . H14A H 0.5758 0.1618 0.5381 0.064 Uiso 1 1 calc R . . H14B H 0.4776 0.1876 0.5317 0.064 Uiso 1 1 calc R . . H14C H 0.5535 0.2446 0.5332 0.064 Uiso 1 1 calc R . . C15 C 0.6092(7) 0.2149(6) 0.4054(6) 0.038(2) Uani 1 1 d . . . H15A H 0.6247 0.2634 0.4216 0.058 Uiso 1 1 calc R . . H15B H 0.6015 0.2126 0.3511 0.058 Uiso 1 1 calc R . . H15C H 0.6553 0.1824 0.4262 0.058 Uiso 1 1 calc R . . C16 C 0.3361(7) 0.2073(5) 0.4171(5) 0.035(2) Uani 1 1 d . . . H16 H 0.3427 0.2153 0.4718 0.042 Uiso 1 1 calc R . . C17 C 0.2547(7) 0.2461(7) 0.3818(6) 0.046(3) Uani 1 1 d . . . H17A H 0.2411 0.2329 0.3293 0.069 Uiso 1 1 calc R . . H17B H 0.2642 0.2974 0.3859 0.069 Uiso 1 1 calc R . . H17C H 0.2063 0.2330 0.4074 0.069 Uiso 1 1 calc R . . C18 C 0.3289(9) 0.1264(6) 0.4036(6) 0.052(3) Uani 1 1 d . . . H18A H 0.2745 0.1091 0.4173 0.079 Uiso 1 1 calc R . . H18B H 0.3775 0.1025 0.4340 0.079 Uiso 1 1 calc R . . H18C H 0.3303 0.1164 0.3511 0.079 Uiso 1 1 calc R . . C19 C 0.2908(6) 0.3664(6) 0.1319(5) 0.037(2) Uani 1 1 d . . . H19 H 0.2510 0.3254 0.1184 0.045 Uiso 1 1 calc R . . C20 C 0.2654(7) 0.3999(7) 0.2017(6) 0.043(2) Uani 1 1 d . . . H20A H 0.3037 0.4401 0.2171 0.064 Uiso 1 1 calc R . . H20B H 0.2707 0.3647 0.2416 0.064 Uiso 1 1 calc R . . H20C H 0.2055 0.4166 0.1912 0.064 Uiso 1 1 calc R . . C21 C 0.2774(7) 0.4179(7) 0.0667(7) 0.049(3) Uani 1 1 d . . . H21A H 0.2173 0.4343 0.0586 0.073 Uiso 1 1 calc R . . H21B H 0.2902 0.3939 0.0220 0.073 Uiso 1 1 calc R . . H21C H 0.3161 0.4586 0.0777 0.073 Uiso 1 1 calc R . . C22 C 0.4290(7) 0.2932(5) 0.0656(5) 0.034(2) Uani 1 1 d . . . H22 H 0.4286 0.3326 0.0288 0.041 Uiso 1 1 calc R . . C23 C 0.3604(9) 0.2386(7) 0.0341(6) 0.052(3) Uani 1 1 d . . . H23A H 0.3714 0.2230 -0.0149 0.078 Uiso 1 1 calc R . . H23B H 0.3029 0.2603 0.0294 0.078 Uiso 1 1 calc R . . H23C H 0.3631 0.1978 0.0675 0.078 Uiso 1 1 calc R . . C24 C 0.5206(8) 0.2627(7) 0.0814(6) 0.047(3) Uani 1 1 d . . . H24A H 0.5232 0.2263 0.1199 0.071 Uiso 1 1 calc R . . H24B H 0.5615 0.3007 0.0984 0.071 Uiso 1 1 calc R . . H24C H 0.5358 0.2416 0.0360 0.071 Uiso 1 1 calc R . . F1 F 0.3668(4) 0.4434(3) 0.5615(3) 0.0353(12) Uani 1 1 d . . . F2 F 0.5748(4) 0.5483(3) 0.0852(3) 0.0340(12) Uani 1 1 d . . . N1 N 0.4938(4) 0.3661(3) 0.3041(3) 0.0194(12) Uani 1 1 d . A . H1 H 0.5488 0.3502 0.3236 0.023 Uiso 1 1 calc R . . P1 P 0.43234(15) 0.24402(10) 0.38437(11) 0.0245(4) Uani 1 1 d . A . P2 P 0.40183(14) 0.33011(12) 0.15192(11) 0.0255(4) Uani 1 1 d . A . Pt1 Pt 0.42534(2) 0.270416(18) 0.261186(17) 0.02761(11) Uani 1 1 d D . . C25 C 0.3882(6) 0.1690(4) 0.2265(6) 0.026(2) Uani 0.528(19) 1 d PGD A 1 C26 C 0.3035(6) 0.1512(4) 0.1977(6) 0.026(2) Uani 0.528(19) 1 d PG A 1 H26 H 0.2593 0.1860 0.1949 0.031 Uiso 0.528(19) 1 calc PR A 1 C27 C 0.2836(5) 0.0826(5) 0.1732(6) 0.026(2) Uani 0.528(19) 1 d PG A 1 H27 H 0.2257 0.0705 0.1535 0.031 Uiso 0.528(19) 1 calc PR A 1 C28 C 0.3484(7) 0.0317(4) 0.1774(6) 0.026(2) Uani 0.528(19) 1 d PG A 1 C29 C 0.4330(6) 0.0494(4) 0.2061(6) 0.026(2) Uani 0.528(19) 1 d PG A 1 H29 H 0.4773 0.0146 0.2090 0.031 Uiso 0.528(19) 1 calc PR A 1 C30 C 0.4529(5) 0.1181(5) 0.2307(6) 0.026(2) Uani 0.528(19) 1 d PG A 1 H30 H 0.5108 0.1302 0.2503 0.031 Uiso 0.528(19) 1 calc PR A 1 C31 C 0.3307(11) -0.0442(9) 0.1470(8) 0.026(2) Uani 0.528(19) 1 d P A 1 H31A H 0.2691 -0.0552 0.1444 0.039 Uiso 0.528(19) 1 calc PR A 1 H31B H 0.3648 -0.0781 0.1801 0.039 Uiso 0.528(19) 1 calc PR A 1 H31C H 0.3470 -0.0476 0.0974 0.039 Uiso 0.528(19) 1 calc PR A 1 C25A C 0.3596(7) 0.1822(5) 0.2177(7) 0.030(3) Uani 0.472(19) 1 d PGD A 2 C26A C 0.2730(7) 0.1775(5) 0.1866(7) 0.030(3) Uani 0.472(19) 1 d PG A 2 H26A H 0.2366 0.2178 0.1862 0.036 Uiso 0.472(19) 1 calc PR A 2 C27A C 0.2397(6) 0.1139(6) 0.1563(7) 0.030(3) Uani 0.472(19) 1 d PG A 2 H27A H 0.1805 0.1107 0.1351 0.036 Uiso 0.472(19) 1 calc PR A 2 C28A C 0.2930(8) 0.0549(5) 0.1570(7) 0.030(3) Uani 0.472(19) 1 d PG A 2 H28A H 0.2702 0.0114 0.1362 0.036 Uiso 0.472(19) 1 calc PR A 2 C29A C 0.3796(8) 0.0595(5) 0.1880(7) 0.030(3) Uani 0.472(19) 1 d PG A 2 C30A C 0.4129(6) 0.1232(6) 0.2183(7) 0.030(3) Uani 0.472(19) 1 d PG A 2 H30A H 0.4721 0.1263 0.2395 0.036 Uiso 0.472(19) 1 calc PR A 2 C31A C 0.4393(13) -0.0032(10) 0.1851(11) 0.030(3) Uani 0.472(19) 1 d P A 2 H31D H 0.4155 -0.0446 0.2074 0.045 Uiso 0.472(19) 1 calc PR A 2 H31E H 0.4964 0.0081 0.2127 0.045 Uiso 0.472(19) 1 calc PR A 2 H31F H 0.4446 -0.0136 0.1334 0.045 Uiso 0.472(19) 1 calc PR A 2 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 B50 0.043(5) 0.013(4) 0.018(4) 0.002(3) 0.015(4) 0.006(3) C50 0.028(4) 0.021(3) 0.017(3) 0.000(3) 0.009(3) 0.004(3) C51 0.033(4) 0.024(4) 0.022(4) 0.000(3) 0.006(3) 0.006(3) C52 0.025(4) 0.024(4) 0.025(4) 0.002(3) 0.008(3) 0.012(3) C53 0.040(5) 0.017(3) 0.025(4) -0.002(3) 0.011(3) 0.003(3) C54 0.037(5) 0.025(4) 0.026(4) -0.005(3) 0.011(3) 0.001(3) C55 0.028(4) 0.026(4) 0.022(4) 0.001(3) 0.010(3) 0.007(3) C56 0.044(4) 0.029(4) 0.023(3) 0.002(3) 0.010(3) 0.026(4) C57 0.039(4) 0.020(4) 0.031(4) 0.002(3) 0.016(3) 0.009(3) C58 0.041(5) 0.029(4) 0.031(4) 0.014(4) 0.010(4) 0.011(4) C59 0.033(5) 0.026(4) 0.045(5) 0.013(4) 0.015(4) 0.008(4) C60 0.041(5) 0.020(3) 0.042(4) -0.002(3) 0.020(4) 0.003(3) C61 0.037(4) 0.019(3) 0.034(3) 0.003(3) 0.026(3) 0.004(3) C62 0.025(4) 0.027(4) 0.021(3) 0.000(3) 0.007(3) 0.007(3) C63 0.050(5) 0.023(4) 0.021(4) -0.001(3) 0.016(4) 0.002(4) C64 0.081(8) 0.020(4) 0.033(5) 0.004(3) 0.027(5) -0.008(4) C65 0.050(6) 0.028(4) 0.044(5) -0.010(4) 0.018(5) -0.003(4) C66 0.028(4) 0.029(4) 0.030(4) -0.005(3) 0.005(3) 0.006(3) C67 0.032(4) 0.026(4) 0.020(4) 0.000(3) 0.009(3) 0.005(3) C68 0.035(4) 0.020(4) 0.017(3) 0.000(3) 0.005(3) 0.005(3) C69 0.034(5) 0.029(4) 0.023(4) -0.001(3) 0.005(3) 0.004(3) C70 0.041(5) 0.024(4) 0.026(4) -0.002(3) 0.001(4) 0.004(4) C71 0.060(6) 0.022(4) 0.015(3) 0.001(3) 0.008(4) -0.004(4) C72 0.043(5) 0.024(4) 0.022(4) -0.002(3) 0.011(3) -0.007(4) C73 0.058(6) 0.024(4) 0.022(4) 0.005(3) 0.013(4) 0.006(4) F50 0.032(3) 0.029(3) 0.031(2) -0.005(2) 0.013(2) 0.001(2) F51 0.033(3) 0.033(3) 0.041(3) -0.007(2) 0.016(2) 0.007(2) F52 0.047(3) 0.026(3) 0.046(3) -0.013(2) 0.011(3) 0.007(2) F53 0.036(3) 0.038(3) 0.045(3) -0.016(2) 0.008(2) -0.001(2) F54 0.030(3) 0.032(3) 0.032(3) -0.007(2) 0.010(2) 0.002(2) F55 0.054(3) 0.043(3) 0.020(2) 0.004(2) 0.011(2) 0.024(3) F56 0.052(4) 0.051(4) 0.037(3) 0.020(3) 0.008(3) 0.014(3) F57 0.053(4) 0.028(3) 0.073(4) 0.019(3) 0.017(3) 0.018(3) F58 0.048(3) 0.026(3) 0.065(4) -0.008(3) 0.025(3) 0.011(2) F59 0.036(3) 0.025(2) 0.028(2) -0.0072(19) 0.012(2) -0.001(2) F60 0.070(4) 0.027(3) 0.020(2) 0.000(2) 0.017(2) -0.002(3) F61 0.172(10) 0.040(4) 0.044(4) 0.000(3) 0.054(5) -0.044(5) F62 0.074(5) 0.039(3) 0.063(4) -0.016(3) 0.033(4) -0.020(3) F63 0.034(3) 0.042(3) 0.036(3) -0.013(2) 0.002(2) 0.002(2) F64 0.046(3) 0.043(3) 0.019(2) -0.001(2) 0.010(2) -0.004(3) F65 0.036(3) 0.045(3) 0.033(3) 0.012(2) 0.010(2) 0.012(2) F66 0.057(4) 0.044(3) 0.033(3) 0.016(3) 0.000(3) 0.010(3) F67 0.068(4) 0.041(3) 0.025(3) 0.017(2) 0.005(3) -0.011(3) F68 0.044(3) 0.036(3) 0.028(2) 0.001(2) 0.013(2) -0.013(2) F69 0.030(3) 0.029(2) 0.026(2) 0.0012(19) 0.0095(19) 0.003(2) C1 0.022(4) 0.028(4) 0.016(3) -0.003(3) 0.006(3) -0.005(3) C2 0.024(4) 0.019(3) 0.019(3) 0.000(3) 0.007(3) 0.000(3) C3 0.023(4) 0.032(4) 0.017(3) 0.001(3) 0.005(3) 0.000(3) C4 0.028(4) 0.031(4) 0.021(4) -0.009(3) 0.006(3) 0.002(3) C5 0.029(4) 0.028(4) 0.026(4) -0.005(3) 0.003(3) 0.005(3) C6 0.027(4) 0.023(4) 0.026(4) 0.000(3) 0.005(3) 0.002(3) C7 0.023(4) 0.027(4) 0.019(3) 0.002(3) 0.004(3) 0.000(3) C8 0.026(4) 0.030(4) 0.024(4) 0.002(3) 0.003(3) 0.001(3) C9 0.027(4) 0.023(4) 0.034(4) 0.001(3) 0.008(3) -0.003(3) C10 0.025(4) 0.028(4) 0.028(4) 0.010(3) 0.014(3) 0.008(3) C11 0.027(4) 0.033(4) 0.021(4) 0.002(3) 0.008(3) 0.000(3) C12 0.021(4) 0.030(4) 0.016(3) -0.001(3) 0.006(3) -0.001(3) C13 0.041(5) 0.028(4) 0.034(4) 0.005(3) 0.021(4) 0.002(4) C14 0.052(6) 0.050(6) 0.031(5) 0.011(4) 0.022(4) 0.018(5) C15 0.040(5) 0.042(6) 0.037(5) 0.012(4) 0.019(4) 0.006(4) C16 0.047(5) 0.034(5) 0.031(4) -0.006(3) 0.026(4) -0.018(4) C17 0.037(5) 0.061(7) 0.041(5) -0.011(5) 0.012(4) -0.018(5) C18 0.078(8) 0.045(6) 0.043(6) -0.017(5) 0.038(6) -0.037(6) C19 0.028(4) 0.048(6) 0.035(5) -0.004(4) 0.005(4) -0.014(4) C20 0.025(5) 0.060(7) 0.046(6) -0.005(5) 0.014(4) 0.002(4) C21 0.025(5) 0.068(8) 0.050(6) 0.011(6) -0.008(4) -0.004(5) C22 0.049(6) 0.040(5) 0.016(3) -0.002(3) 0.012(4) -0.004(4) C23 0.085(9) 0.049(6) 0.027(4) -0.019(4) 0.022(5) -0.028(6) C24 0.065(7) 0.053(6) 0.028(4) -0.002(4) 0.019(4) 0.008(6) F1 0.046(3) 0.039(3) 0.023(2) -0.010(2) 0.015(2) 0.004(2) F2 0.036(3) 0.036(3) 0.034(3) 0.013(2) 0.015(2) 0.001(2) N1 0.024(3) 0.020(3) 0.015(3) 0.000(2) 0.006(2) 0.000(2) P1 0.0382(11) 0.0189(9) 0.0196(9) -0.0013(7) 0.0146(8) -0.0052(8) P2 0.0261(10) 0.0349(11) 0.0163(9) -0.0042(8) 0.0060(7) -0.0098(9) Pt1 0.03819(18) 0.03001(17) 0.01708(14) -0.00568(13) 0.01206(11) -0.01380(15) C25 0.027(4) 0.032(4) 0.019(3) -0.003(2) 0.003(2) -0.008(3) C26 0.027(4) 0.032(4) 0.019(3) -0.003(2) 0.003(2) -0.008(3) C27 0.027(4) 0.032(4) 0.019(3) -0.003(2) 0.003(2) -0.008(3) C28 0.027(4) 0.032(4) 0.019(3) -0.003(2) 0.003(2) -0.008(3) C29 0.027(4) 0.032(4) 0.019(3) -0.003(2) 0.003(2) -0.008(3) C30 0.027(4) 0.032(4) 0.019(3) -0.003(2) 0.003(2) -0.008(3) C31 0.027(4) 0.032(4) 0.019(3) -0.003(2) 0.003(2) -0.008(3) C25A 0.031(5) 0.030(4) 0.031(4) -0.003(3) 0.011(3) -0.006(3) C26A 0.031(5) 0.030(4) 0.031(4) -0.003(3) 0.011(3) -0.006(3) C27A 0.031(5) 0.030(4) 0.031(4) -0.003(3) 0.011(3) -0.006(3) C28A 0.031(5) 0.030(4) 0.031(4) -0.003(3) 0.011(3) -0.006(3) C29A 0.031(5) 0.030(4) 0.031(4) -0.003(3) 0.011(3) -0.006(3) C30A 0.031(5) 0.030(4) 0.031(4) -0.003(3) 0.011(3) -0.006(3) C31A 0.031(5) 0.030(4) 0.031(4) -0.003(3) 0.011(3) -0.006(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 B50 C62 1.644(13) . ? B50 C68 1.648(11) . ? B50 C50 1.654(11) . ? B50 C56 1.657(12) . ? C50 C51 1.380(12) . ? C50 C55 1.394(12) . ? C51 F50 1.348(11) . ? C51 C52 1.402(11) . ? C52 F51 1.340(9) . ? C52 C53 1.347(13) . ? C53 F52 1.343(9) . ? C53 C54 1.393(13) . ? C54 F53 1.328(11) . ? C54 C55 1.393(12) . ? C55 F54 1.364(10) . ? C56 C61 1.390(11) . ? C56 C57 1.399(12) . ? C57 F55 1.364(9) . ? C57 C58 1.373(12) . ? C58 F56 1.332(11) . ? C58 C59 1.378(14) . ? C59 F57 1.341(11) . ? C59 C60 1.379(15) . ? C60 F58 1.351(10) . ? C60 C61 1.368(13) . ? C61 F59 1.358(11) . ? C62 C63 1.390(11) . ? C62 C67 1.394(12) . ? C63 F60 1.353(10) . ? C63 C64 1.370(15) . ? C64 F61 1.346(11) . ? C64 C65 1.382(16) . ? C65 F62 1.345(12) . ? C65 C66 1.370(14) . ? C66 F63 1.343(10) . ? C66 C67 1.392(13) . ? C67 F64 1.351(9) . ? C68 C69 1.392(12) . ? C68 C73 1.417(14) . ? C69 F65 1.345(11) . ? C69 C70 1.388(13) . ? C70 F66 1.324(11) . ? C70 C71 1.382(15) . ? C71 F67 1.345(10) . ? C71 C72 1.375(14) . ? C72 F68 1.346(11) . ? C72 C73 1.374(12) . ? C73 F69 1.351(12) . ? C1 C6 1.391(12) . ? C1 C2 1.412(11) . ? C1 N1 1.469(9) . ? C2 C3 1.410(10) . ? C2 P1 1.814(8) . ? C3 C4 1.386(12) . ? C3 H3 0.9500 . ? C4 F1 1.351(9) . ? C4 C5 1.364(13) . ? C5 C6 1.388(12) . ? C5 H5 0.9500 . ? C6 H6 0.9500 . ? C7 C8 1.390(12) . ? C7 C12 1.392(11) . ? C7 N1 1.473(10) . ? C8 C9 1.375(12) . ? C8 H8 0.9500 . ? C9 C10 1.376(13) . ? C9 H9 0.9500 . ? C10 F2 1.353(9) . ? C10 C11 1.372(13) . ? C11 C12 1.408(11) . ? C11 H11 0.9500 . ? C12 P2 1.827(8) . ? C13 C14 1.519(13) . ? C13 C15 1.529(13) . ? C13 P1 1.837(10) . ? 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 1.526(17) . ? C16 C18 1.546(14) . ? C16 P1 1.838(9) . ? 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 1.526(16) . ? C19 C20 1.529(14) . ? C19 P2 1.852(11) . ? 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 C24 1.532(16) . ? C22 C23 1.534(15) . ? C22 P2 1.831(9) . ? 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 . ? N1 Pt1 2.183(7) . ? N1 H1 0.9300 . ? P1 Pt1 2.288(2) . ? P2 Pt1 2.270(2) . ? Pt1 C25A 2.053(6) . ? Pt1 C25 2.072(6) . ? C25 C26 1.3900 . ? C25 C30 1.3900 . ? C26 C27 1.3900 . ? C26 H26 0.9500 . ? C27 C28 1.3900 . ? C27 H27 0.9500 . ? C28 C29 1.3900 . ? C28 C31 1.546(17) . ? C29 C30 1.3900 . ? C29 H29 0.9500 . ? C30 H30 0.9500 . ? C31 H31A 0.9800 . ? C31 H31B 0.9800 . ? C31 H31C 0.9800 . ? C25A C26A 1.3900 . ? C25A C30A 1.3900 . ? C26A C27A 1.3900 . ? C26A H26A 0.9500 . ? C27A C28A 1.3900 . ? C27A H27A 0.9500 . ? C28A C29A 1.3900 . ? C28A H28A 0.9500 . ? C29A C30A 1.3900 . ? C29A C31A 1.51(2) . ? C30A H30A 0.9500 . ? C31A H31D 0.9800 . ? C31A H31E 0.9800 . ? C31A H31F 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 C62 B50 C68 113.4(7) . . ? C62 B50 C50 112.6(7) . . ? C68 B50 C50 101.4(6) . . ? C62 B50 C56 101.9(6) . . ? C68 B50 C56 114.0(7) . . ? C50 B50 C56 114.2(7) . . ? C51 C50 C55 113.6(7) . . ? C51 C50 B50 127.6(8) . . ? C55 C50 B50 118.5(7) . . ? F50 C51 C50 121.4(7) . . ? F50 C51 C52 115.5(7) . . ? C50 C51 C52 123.2(8) . . ? F51 C52 C53 119.8(7) . . ? F51 C52 C51 119.4(8) . . ? C53 C52 C51 120.7(8) . . ? F52 C53 C52 121.0(8) . . ? F52 C53 C54 119.5(8) . . ? C52 C53 C54 119.5(8) . . ? F53 C54 C55 121.4(8) . . ? F53 C54 C53 120.8(7) . . ? C55 C54 C53 117.9(8) . . ? F54 C55 C54 114.9(8) . . ? F54 C55 C50 120.0(7) . . ? C54 C55 C50 125.0(8) . . ? C61 C56 C57 112.2(7) . . ? C61 C56 B50 119.5(7) . . ? C57 C56 B50 126.7(7) . . ? F55 C57 C58 115.0(8) . . ? F55 C57 C56 119.8(7) . . ? C58 C57 C56 125.3(8) . . ? F56 C58 C57 120.7(8) . . ? F56 C58 C59 120.4(8) . . ? C57 C58 C59 118.9(8) . . ? F57 C59 C58 120.4(9) . . ? F57 C59 C60 120.7(9) . . ? C58 C59 C60 118.9(8) . . ? F58 C60 C61 120.7(9) . . ? F58 C60 C59 119.6(8) . . ? C61 C60 C59 119.7(8) . . ? F59 C61 C60 116.3(7) . . ? F59 C61 C56 118.7(8) . . ? C60 C61 C56 124.9(9) . . ? C63 C62 C67 112.0(8) . . ? C63 C62 B50 118.1(7) . . ? C67 C62 B50 129.1(7) . . ? F60 C63 C64 114.9(8) . . ? F60 C63 C62 119.2(8) . . ? C64 C63 C62 125.8(9) . . ? F61 C64 C63 120.4(10) . . ? F61 C64 C65 120.4(10) . . ? C63 C64 C65 119.2(8) . . ? F62 C65 C66 120.3(9) . . ? F62 C65 C64 120.9(9) . . ? C66 C65 C64 118.8(9) . . ? F63 C66 C65 120.2(9) . . ? F63 C66 C67 120.3(8) . . ? C65 C66 C67 119.5(9) . . ? F64 C67 C66 115.1(7) . . ? F64 C67 C62 120.3(8) . . ? C66 C67 C62 124.5(8) . . ? C69 C68 C73 112.6(8) . . ? C69 C68 B50 120.2(8) . . ? C73 C68 B50 126.9(8) . . ? F65 C69 C70 115.6(8) . . ? F65 C69 C68 118.9(8) . . ? C70 C69 C68 125.5(9) . . ? F66 C70 C71 120.7(8) . . ? F66 C70 C69 121.2(9) . . ? C71 C70 C69 118.1(9) . . ? F67 C71 C72 119.7(9) . . ? F67 C71 C70 120.4(9) . . ? C72 C71 C70 119.9(8) . . ? F68 C72 C73 119.9(9) . . ? F68 C72 C71 120.3(7) . . ? C73 C72 C71 119.8(9) . . ? F69 C73 C72 116.0(9) . . ? F69 C73 C68 120.0(7) . . ? C72 C73 C68 124.0(9) . . ? C6 C1 C2 120.8(7) . . ? C6 C1 N1 123.0(7) . . ? C2 C1 N1 116.3(7) . . ? C3 C2 C1 118.2(7) . . ? C3 C2 P1 122.4(6) . . ? C1 C2 P1 118.5(5) . . ? C4 C3 C2 118.9(7) . . ? C4 C3 H3 120.6 . . ? C2 C3 H3 120.6 . . ? F1 C4 C5 119.6(8) . . ? F1 C4 C3 117.7(8) . . ? C5 C4 C3 122.7(7) . . ? C4 C5 C6 119.2(8) . . ? C4 C5 H5 120.4 . . ? C6 C5 H5 120.4 . . ? C5 C6 C1 119.9(8) . . ? C5 C6 H6 120.0 . . ? C1 C6 H6 120.0 . . ? C8 C7 C12 120.6(7) . . ? C8 C7 N1 119.9(7) . . ? C12 C7 N1 118.9(7) . . ? C9 C8 C7 120.4(8) . . ? C9 C8 H8 119.8 . . ? C7 C8 H8 119.8 . . ? C8 C9 C10 118.8(8) . . ? C8 C9 H9 120.6 . . ? C10 C9 H9 120.6 . . ? F2 C10 C11 118.0(8) . . ? F2 C10 C9 119.4(8) . . ? C11 C10 C9 122.6(7) . . ? C10 C11 C12 118.8(8) . . ? C10 C11 H11 120.6 . . ? C12 C11 H11 120.6 . . ? C7 C12 C11 118.8(8) . . ? C7 C12 P2 118.9(6) . . ? C11 C12 P2 122.2(6) . . ? C14 C13 C15 111.2(9) . . ? C14 C13 P1 113.7(6) . . ? C15 C13 P1 111.7(6) . . ? C14 C13 H13 106.6 . . ? C15 C13 H13 106.6 . . ? P1 C13 H13 106.6 . . ? 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 111.8(10) . . ? C17 C16 P1 110.8(7) . . ? C18 C16 P1 111.3(7) . . ? C17 C16 H16 107.6 . . ? C18 C16 H16 107.6 . . ? P1 C16 H16 107.6 . . ? 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 111.3(10) . . ? C21 C19 P2 113.7(7) . . ? C20 C19 P2 110.1(7) . . ? C21 C19 H19 107.1 . . ? C20 C19 H19 107.1 . . ? P2 C19 H19 107.1 . . ? 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 . . ? C24 C22 C23 113.6(10) . . ? C24 C22 P2 108.3(6) . . ? C23 C22 P2 109.7(7) . . ? C24 C22 H22 108.4 . . ? C23 C22 H22 108.4 . . ? P2 C22 H22 108.4 . . ? 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 . . ? C1 N1 C7 119.9(6) . . ? C1 N1 Pt1 107.4(5) . . ? C7 N1 Pt1 115.1(5) . . ? C1 N1 H1 104.2 . . ? C7 N1 H1 104.2 . . ? Pt1 N1 H1 104.2 . . ? C2 P1 C13 110.0(4) . . ? C2 P1 C16 103.8(4) . . ? C13 P1 C16 106.1(5) . . ? C2 P1 Pt1 96.6(2) . . ? C13 P1 Pt1 119.7(3) . . ? C16 P1 Pt1 118.8(3) . . ? C12 P2 C22 106.1(4) . . ? C12 P2 C19 105.8(4) . . ? C22 P2 C19 107.7(5) . . ? C12 P2 Pt1 100.7(3) . . ? C22 P2 Pt1 122.6(3) . . ? C19 P2 Pt1 112.2(3) . . ? C25A Pt1 C25 14.4(4) . . ? C25A Pt1 N1 178.1(4) . . ? C25 Pt1 N1 166.8(3) . . ? C25A Pt1 P2 93.3(4) . . ? C25 Pt1 P2 100.9(3) . . ? N1 Pt1 P2 84.81(17) . . ? C25A Pt1 P1 98.6(4) . . ? C25 Pt1 P1 93.9(3) . . ? N1 Pt1 P1 83.13(17) . . ? P2 Pt1 P1 161.35(8) . . ? C26 C25 C30 120.0 . . ? C26 C25 Pt1 123.0(5) . . ? C30 C25 Pt1 117.0(5) . . ? C25 C26 C27 120.0 . . ? C25 C26 H26 120.0 . . ? C27 C26 H26 120.0 . . ? C26 C27 C28 120.0 . . ? C26 C27 H27 120.0 . . ? C28 C27 H27 120.0 . . ? C29 C28 C27 120.0 . . ? C29 C28 C31 117.8(9) . . ? C27 C28 C31 122.1(9) . . ? C28 C29 C30 120.0 . . ? C28 C29 H29 120.0 . . ? C30 C29 H29 120.0 . . ? C29 C30 C25 120.0 . . ? C29 C30 H30 120.0 . . ? C25 C30 H30 120.0 . . ? C26A C25A C30A 120.0 . . ? C26A C25A Pt1 127.5(6) . . ? C30A C25A Pt1 112.4(6) . . ? C25A C26A C27A 120.0 . . ? C25A C26A H26A 120.0 . . ? C27A C26A H26A 120.0 . . ? C28A C27A C26A 120.0 . . ? C28A C27A H27A 120.0 . . ? C26A C27A H27A 120.0 . . ? C27A C28A C29A 120.0 . . ? C27A C28A H28A 120.0 . . ? C29A C28A H28A 120.0 . . ? C30A C29A C28A 120.0 . . ? C30A C29A C31A 119.5(11) . . ? C28A C29A C31A 120.4(11) . . ? C29A C30A C25A 120.0 . . ? C29A C30A H30A 120.0 . . ? C25A C30A H30A 120.0 . . ? C29A C31A H31D 109.5 . . ? C29A C31A H31E 109.5 . . ? H31D C31A H31E 109.5 . . ? C29A C31A H31F 109.5 . . ? H31D C31A H31F 109.5 . . ? H31E C31A H31F 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 C62 B50 C50 C51 18.8(11) . . . . ? C68 B50 C50 C51 -102.7(9) . . . . ? C56 B50 C50 C51 134.3(9) . . . . ? C62 B50 C50 C55 -168.0(7) . . . . ? C68 B50 C50 C55 70.6(9) . . . . ? C56 B50 C50 C55 -52.4(10) . . . . ? C55 C50 C51 F50 -178.7(7) . . . . ? B50 C50 C51 F50 -5.1(12) . . . . ? C55 C50 C51 C52 1.6(12) . . . . ? B50 C50 C51 C52 175.2(7) . . . . ? F50 C51 C52 F51 -0.3(11) . . . . ? C50 C51 C52 F51 179.4(7) . . . . ? F50 C51 C52 C53 -179.4(7) . . . . ? C50 C51 C52 C53 0.3(13) . . . . ? F51 C52 C53 F52 0.0(12) . . . . ? C51 C52 C53 F52 179.1(8) . . . . ? F51 C52 C53 C54 179.8(8) . . . . ? C51 C52 C53 C54 -1.1(13) . . . . ? F52 C53 C54 F53 0.6(13) . . . . ? C52 C53 C54 F53 -179.2(8) . . . . ? F52 C53 C54 C55 179.6(8) . . . . ? C52 C53 C54 C55 -0.1(13) . . . . ? F53 C54 C55 F54 0.3(12) . . . . ? C53 C54 C55 F54 -178.8(7) . . . . ? F53 C54 C55 C50 -178.6(8) . . . . ? C53 C54 C55 C50 2.4(13) . . . . ? C51 C50 C55 F54 178.2(7) . . . . ? B50 C50 C55 F54 4.0(11) . . . . ? C51 C50 C55 C54 -3.0(12) . . . . ? B50 C50 C55 C54 -177.2(8) . . . . ? C62 B50 C56 C61 -66.7(10) . . . . ? C68 B50 C56 C61 55.8(12) . . . . ? C50 B50 C56 C61 171.6(8) . . . . ? C62 B50 C56 C57 97.9(11) . . . . ? C68 B50 C56 C57 -139.7(10) . . . . ? C50 B50 C56 C57 -23.8(13) . . . . ? C61 C56 C57 F55 179.3(8) . . . . ? B50 C56 C57 F55 13.8(15) . . . . ? C61 C56 C57 C58 -1.6(15) . . . . ? B50 C56 C57 C58 -167.1(10) . . . . ? F55 C57 C58 F56 -1.2(14) . . . . ? C56 C57 C58 F56 179.6(9) . . . . ? F55 C57 C58 C59 -180.0(9) . . . . ? C56 C57 C58 C59 0.9(16) . . . . ? F56 C58 C59 F57 2.3(15) . . . . ? C57 C58 C59 F57 -179.0(9) . . . . ? F56 C58 C59 C60 -178.9(9) . . . . ? C57 C58 C59 C60 -0.2(15) . . . . ? F57 C59 C60 F58 -1.5(14) . . . . ? C58 C59 C60 F58 179.8(9) . . . . ? F57 C59 C60 C61 179.2(9) . . . . ? C58 C59 C60 C61 0.4(14) . . . . ? F58 C60 C61 F59 -3.0(13) . . . . ? C59 C60 C61 F59 176.4(8) . . . . ? F58 C60 C61 C56 179.3(9) . . . . ? C59 C60 C61 C56 -1.3(15) . . . . ? C57 C56 C61 F59 -175.8(8) . . . . ? B50 C56 C61 F59 -9.1(13) . . . . ? C57 C56 C61 C60 1.8(14) . . . . ? B50 C56 C61 C60 168.5(9) . . . . ? C68 B50 C62 C63 170.5(7) . . . . ? C50 B50 C62 C63 56.1(10) . . . . ? C56 B50 C62 C63 -66.7(9) . . . . ? C68 B50 C62 C67 -19.8(12) . . . . ? C50 B50 C62 C67 -134.2(8) . . . . ? C56 B50 C62 C67 103.1(9) . . . . ? C67 C62 C63 F60 -177.7(8) . . . . ? B50 C62 C63 F60 -6.2(12) . . . . ? C67 C62 C63 C64 1.8(14) . . . . ? B50 C62 C63 C64 173.3(9) . . . . ? F60 C63 C64 F61 1.3(15) . . . . ? C62 C63 C64 F61 -178.2(10) . . . . ? F60 C63 C64 C65 178.9(9) . . . . ? C62 C63 C64 C65 -0.6(17) . . . . ? F61 C64 C65 F62 0.1(17) . . . . ? C63 C64 C65 F62 -177.5(10) . . . . ? F61 C64 C65 C66 178.3(11) . . . . ? C63 C64 C65 C66 0.7(16) . . . . ? F62 C65 C66 F63 -0.9(15) . . . . ? C64 C65 C66 F63 -179.2(9) . . . . ? F62 C65 C66 C67 176.0(9) . . . . ? C64 C65 C66 C67 -2.2(15) . . . . ? F63 C66 C67 F64 -0.6(12) . . . . ? C65 C66 C67 F64 -177.6(8) . . . . ? F63 C66 C67 C62 -179.2(8) . . . . ? C65 C66 C67 C62 3.8(14) . . . . ? C63 C62 C67 F64 178.0(8) . . . . ? B50 C62 C67 F64 7.8(13) . . . . ? C63 C62 C67 C66 -3.4(12) . . . . ? B50 C62 C67 C66 -173.7(8) . . . . ? C62 B50 C68 C69 -51.4(10) . . . . ? C50 B50 C68 C69 69.6(9) . . . . ? C56 B50 C68 C69 -167.3(8) . . . . ? C62 B50 C68 C73 136.1(9) . . . . ? C50 B50 C68 C73 -102.9(9) . . . . ? C56 B50 C68 C73 20.2(12) . . . . ? C73 C68 C69 F65 178.3(8) . . . . ? B50 C68 C69 F65 4.8(12) . . . . ? C73 C68 C69 C70 -2.1(13) . . . . ? B50 C68 C69 C70 -175.6(8) . . . . ? F65 C69 C70 F66 1.3(12) . . . . ? C68 C69 C70 F66 -178.3(8) . . . . ? F65 C69 C70 C71 -178.8(8) . . . . ? C68 C69 C70 C71 1.6(14) . . . . ? F66 C70 C71 F67 -0.2(13) . . . . ? C69 C70 C71 F67 179.9(8) . . . . ? F66 C70 C71 C72 178.9(8) . . . . ? C69 C70 C71 C72 -1.0(13) . . . . ? F67 C71 C72 F68 0.6(12) . . . . ? C70 C71 C72 F68 -178.5(8) . . . . ? F67 C71 C72 C73 -179.8(8) . . . . ? C70 C71 C72 C73 1.1(13) . . . . ? F68 C72 C73 F69 -3.2(12) . . . . ? C71 C72 C73 F69 177.2(8) . . . . ? F68 C72 C73 C68 177.7(8) . . . . ? C71 C72 C73 C68 -1.9(14) . . . . ? C69 C68 C73 F69 -176.8(8) . . . . ? B50 C68 C73 F69 -3.9(13) . . . . ? C69 C68 C73 C72 2.2(13) . . . . ? B50 C68 C73 C72 175.2(8) . . . . ? C6 C1 C2 C3 -4.9(12) . . . . ? N1 C1 C2 C3 174.9(7) . . . . ? C6 C1 C2 P1 164.7(6) . . . . ? N1 C1 C2 P1 -15.4(10) . . . . ? C1 C2 C3 C4 2.9(12) . . . . ? P1 C2 C3 C4 -166.3(7) . . . . ? C2 C3 C4 F1 179.8(7) . . . . ? C2 C3 C4 C5 1.6(13) . . . . ? F1 C4 C5 C6 177.7(8) . . . . ? C3 C4 C5 C6 -4.1(14) . . . . ? C4 C5 C6 C1 2.0(13) . . . . ? C2 C1 C6 C5 2.5(13) . . . . ? N1 C1 C6 C5 -177.3(8) . . . . ? C12 C7 C8 C9 1.9(13) . . . . ? N1 C7 C8 C9 172.7(8) . . . . ? C7 C8 C9 C10 -1.4(13) . . . . ? C8 C9 C10 F2 -179.6(8) . . . . ? C8 C9 C10 C11 1.1(13) . . . . ? F2 C10 C11 C12 179.4(7) . . . . ? C9 C10 C11 C12 -1.4(13) . . . . ? C8 C7 C12 C11 -2.1(12) . . . . ? N1 C7 C12 C11 -173.0(7) . . . . ? C8 C7 C12 P2 175.2(6) . . . . ? N1 C7 C12 P2 4.3(10) . . . . ? C10 C11 C12 C7 1.8(12) . . . . ? C10 C11 C12 P2 -175.3(6) . . . . ? C6 C1 N1 C7 -5.7(11) . . . . ? C2 C1 N1 C7 174.4(7) . . . . ? C6 C1 N1 Pt1 -139.6(7) . . . . ? C2 C1 N1 Pt1 40.5(8) . . . . ? C8 C7 N1 C1 64.3(10) . . . . ? C12 C7 N1 C1 -124.8(8) . . . . ? C8 C7 N1 Pt1 -165.1(6) . . . . ? C12 C7 N1 Pt1 5.8(9) . . . . ? C3 C2 P1 C13 -81.4(7) . . . . ? C1 C2 P1 C13 109.4(7) . . . . ? C3 C2 P1 C16 31.7(8) . . . . ? C1 C2 P1 C16 -137.5(7) . . . . ? C3 C2 P1 Pt1 153.6(7) . . . . ? C1 C2 P1 Pt1 -15.6(7) . . . . ? C14 C13 P1 C2 53.9(8) . . . . ? C15 C13 P1 C2 -72.9(8) . . . . ? C14 C13 P1 C16 -57.8(9) . . . . ? C15 C13 P1 C16 175.4(7) . . . . ? C14 C13 P1 Pt1 164.3(6) . . . . ? C15 C13 P1 Pt1 37.5(8) . . . . ? C17 C16 P1 C2 63.0(7) . . . . ? C18 C16 P1 C2 -171.9(8) . . . . ? C17 C16 P1 C13 179.0(7) . . . . ? C18 C16 P1 C13 -55.9(9) . . . . ? C17 C16 P1 Pt1 -42.7(7) . . . . ? C18 C16 P1 Pt1 82.4(9) . . . . ? C7 C12 P2 C22 -139.8(7) . . . . ? C11 C12 P2 C22 37.4(8) . . . . ? C7 C12 P2 C19 105.9(7) . . . . ? C11 C12 P2 C19 -76.9(8) . . . . ? C7 C12 P2 Pt1 -11.0(7) . . . . ? C11 C12 P2 Pt1 166.1(6) . . . . ? C24 C22 P2 C12 67.2(8) . . . . ? C23 C22 P2 C12 -168.3(8) . . . . ? C24 C22 P2 C19 -179.8(7) . . . . ? C23 C22 P2 C19 -55.3(9) . . . . ? C24 C22 P2 Pt1 -47.2(8) . . . . ? C23 C22 P2 Pt1 77.2(9) . . . . ? C21 C19 P2 C12 60.4(9) . . . . ? C20 C19 P2 C12 -65.3(8) . . . . ? C21 C19 P2 C22 -52.7(9) . . . . ? C20 C19 P2 C22 -178.4(7) . . . . ? C21 C19 P2 Pt1 169.4(7) . . . . ? C20 C19 P2 Pt1 43.7(8) . . . . ? C1 N1 Pt1 C25A 118(12) . . . . ? C7 N1 Pt1 C25A -18(12) . . . . ? C1 N1 Pt1 C25 -117.3(16) . . . . ? C7 N1 Pt1 C25 106.3(16) . . . . ? C1 N1 Pt1 P2 126.2(5) . . . . ? C7 N1 Pt1 P2 -10.2(5) . . . . ? C1 N1 Pt1 P1 -39.5(5) . . . . ? C7 N1 Pt1 P1 -175.9(5) . . . . ? C12 P2 Pt1 C25A -170.3(4) . . . . ? C22 P2 Pt1 C25A -53.1(5) . . . . ? C19 P2 Pt1 C25A 77.6(5) . . . . ? C12 P2 Pt1 C25 -158.0(4) . . . . ? C22 P2 Pt1 C25 -40.8(5) . . . . ? C19 P2 Pt1 C25 89.9(5) . . . . ? C12 P2 Pt1 N1 10.0(3) . . . . ? C22 P2 Pt1 N1 127.1(4) . . . . ? C19 P2 Pt1 N1 -102.2(4) . . . . ? C12 P2 Pt1 P1 59.9(4) . . . . ? C22 P2 Pt1 P1 177.0(4) . . . . ? C19 P2 Pt1 P1 -52.3(4) . . . . ? C2 P1 Pt1 C25A -152.2(4) . . . . ? C13 P1 Pt1 C25A 90.3(5) . . . . ? C16 P1 Pt1 C25A -42.4(5) . . . . ? C2 P1 Pt1 C25 -165.8(4) . . . . ? C13 P1 Pt1 C25 76.6(5) . . . . ? C16 P1 Pt1 C25 -56.1(5) . . . . ? C2 P1 Pt1 N1 27.1(3) . . . . ? C13 P1 Pt1 N1 -90.5(4) . . . . ? C16 P1 Pt1 N1 136.9(4) . . . . ? C2 P1 Pt1 P2 -23.0(4) . . . . ? C13 P1 Pt1 P2 -140.5(4) . . . . ? C16 P1 Pt1 P2 86.8(4) . . . . ? C25A Pt1 C25 C26 -7(2) . . . . ? N1 Pt1 C25 C26 179.0(13) . . . . ? P2 Pt1 C25 C26 -66.2(6) . . . . ? P1 Pt1 C25 C26 102.5(6) . . . . ? C25A Pt1 C25 C30 171(3) . . . . ? N1 Pt1 C25 C30 -3.1(19) . . . . ? P2 Pt1 C25 C30 111.7(5) . . . . ? P1 Pt1 C25 C30 -79.6(5) . . . . ? C30 C25 C26 C27 0.0 . . . . ? Pt1 C25 C26 C27 177.8(8) . . . . ? C25 C26 C27 C28 0.0 . . . . ? C26 C27 C28 C29 0.0 . . . . ? C26 C27 C28 C31 -176.7(11) . . . . ? C27 C28 C29 C30 0.0 . . . . ? C31 C28 C29 C30 176.8(10) . . . . ? C28 C29 C30 C25 0.0 . . . . ? C26 C25 C30 C29 0.0 . . . . ? Pt1 C25 C30 C29 -178.0(8) . . . . ? C25 Pt1 C25A C26A 176(3) . . . . ? N1 Pt1 C25A C26A -54(13) . . . . ? P2 Pt1 C25A C26A -61.4(8) . . . . ? P1 Pt1 C25A C26A 104.2(7) . . . . ? C25 Pt1 C25A C30A -7(2) . . . . ? N1 Pt1 C25A C30A 124(12) . . . . ? P2 Pt1 C25A C30A 115.7(6) . . . . ? P1 Pt1 C25A C30A -78.7(6) . . . . ? C30A C25A C26A C27A 0.0 . . . . ? Pt1 C25A C26A C27A 176.9(10) . . . . ? C25A C26A C27A C28A 0.0 . . . . ? C26A C27A C28A C29A 0.0 . . . . ? C27A C28A C29A C30A 0.0 . . . . ? C27A C28A C29A C31A -176.6(13) . . . . ? C28A C29A C30A C25A 0.0 . . . . ? C31A C29A C30A C25A 176.6(13) . . . . ? C26A C25A C30A C29A 0.0 . . . . ? Pt1 C25A C30A C29A -177.3(9) . . . . ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 27.50 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 2.145 _refine_diff_density_min -2.130 _refine_diff_density_rms 0.146 data_oz288 _database_code_depnum_ccdc_archive 'CCDC 898630' #TrackingRef 'web_deposit_cif_file_1_OlegV.Ozerov_1346196088.oz288_jcd501.cif' # start Validation Reply Form _vrf_PLAT366_oz288 ; PROBLEM: Test for short C? - C? (Angstrom Difference) RESPONSE: C43 C44 C45 C46 C48 lie within an aromatic ring ; _vrf_PLAT860_oz288 ; PROBLEM: Number of Least-Squares Restraints ....... 1 RESPONSE: Restraint applied to help model disorder of ortho fluorine F22B ; # end Validation Reply Form _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C30 H39 F3 N P2 Pt, C24 B F20' _chemical_formula_sum 'C54 H39 B F23 N P2 Pt' _chemical_formula_weight 1406.69 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' B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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 P2(1)/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 15.495(2) _cell_length_b 18.673(3) _cell_length_c 22.444(2) _cell_angle_alpha 90.00 _cell_angle_beta 125.955(7) _cell_angle_gamma 90.00 _cell_volume 5256.7(12) _cell_formula_units_Z 4 _cell_measurement_temperature 110(2) _cell_measurement_reflns_used 9853 _cell_measurement_theta_min 2.45 _cell_measurement_theta_max 28.26 _exptl_crystal_description block _exptl_crystal_colour blue _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.11 _exptl_crystal_size_min 0.06 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.777 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2760 _exptl_absorpt_coefficient_mu 2.852 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.5993 _exptl_absorpt_correction_T_max 0.8475 _exptl_absorpt_process_details SADABS _exptl_special_details ; ? ; _diffrn_ambient_temperature 110(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 ? _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 50445 _diffrn_reflns_av_R_equivalents 0.0375 _diffrn_reflns_av_sigmaI/netI 0.0323 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_h_max 20 _diffrn_reflns_limit_k_min -24 _diffrn_reflns_limit_k_max 24 _diffrn_reflns_limit_l_min -29 _diffrn_reflns_limit_l_max 29 _diffrn_reflns_theta_min 2.45 _diffrn_reflns_theta_max 27.50 _reflns_number_total 11953 _reflns_number_gt 10152 _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^)+(0.0300P)^2^+5.5465P] 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 11953 _refine_ls_number_parameters 757 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0376 _refine_ls_R_factor_gt 0.0285 _refine_ls_wR_factor_ref 0.0670 _refine_ls_wR_factor_gt 0.0640 _refine_ls_goodness_of_fit_ref 1.047 _refine_ls_restrained_S_all 1.047 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group B1 B 0.8813(3) 0.79349(18) 0.74748(18) 0.0163(6) Uani 1 1 d . . . C1 C 1.0799(2) 0.84994(15) 0.83827(15) 0.0181(6) Uani 1 1 d . . . C2 C 1.1321(3) 0.92641(16) 0.93925(16) 0.0248(7) Uani 1 1 d . . . C3 C 1.0312(3) 0.91892(16) 0.92195(17) 0.0237(7) Uani 1 1 d . . . C4 C 1.1562(2) 0.89160(16) 0.89699(16) 0.0212(6) Uani 1 1 d . . . C5 C 0.9782(2) 0.83883(15) 0.81892(15) 0.0168(6) Uani 1 1 d . . . C6 C 0.9580(2) 0.87706(16) 0.86271(16) 0.0201(6) Uani 1 1 d . . . C7 C 0.8067(2) 0.85866(15) 0.68944(15) 0.0172(6) Uani 1 1 d . . . C8 C 0.8436(2) 0.89740(16) 0.65575(16) 0.0200(6) Uani 1 1 d . . . C9 C 0.7120(2) 0.88412(16) 0.67447(16) 0.0189(6) Uani 1 1 d . . . C10 C 0.6563(2) 0.94178(16) 0.62821(16) 0.0208(6) Uani 1 1 d . . . C11 C 0.6945(3) 0.97605(16) 0.59411(16) 0.0231(7) Uani 1 1 d . . . C12 C 0.7896(3) 0.95409(16) 0.60811(17) 0.0231(7) Uani 1 1 d . . . C13 C 0.8161(2) 0.73907(15) 0.76645(16) 0.0163(6) Uani 1 1 d . . . C14 C 0.8485(2) 0.71238(16) 0.83432(16) 0.0194(6) Uani 1 1 d . . . C15 C 0.7941(2) 0.65989(16) 0.84356(17) 0.0218(6) Uani 1 1 d . . . C16 C 0.7026(3) 0.63048(16) 0.78351(19) 0.0243(7) Uani 1 1 d . . . C17 C 0.6672(2) 0.65448(16) 0.71446(17) 0.0216(6) Uani 1 1 d . . . C18 C 0.7237(2) 0.70678(16) 0.70828(16) 0.0179(6) Uani 1 1 d . . . C19 C 0.9824(3) 0.61781(17) 0.6638(2) 0.0297(8) Uani 1 1 d . . . C20 C 1.0295(3) 0.62750(17) 0.7376(2) 0.0277(7) Uani 1 1 d . . . C21 C 0.9993(2) 0.68443(15) 0.76081(17) 0.0200(6) Uani 1 1 d . . . C22 C 0.9058(3) 0.66524(18) 0.61462(18) 0.0277(7) Uani 1 1 d . . . C23 C 0.9222(2) 0.73478(15) 0.71346(16) 0.0176(6) Uani 1 1 d . . . C24 C 0.8784(2) 0.72220(16) 0.63996(17) 0.0210(6) Uani 1 1 d . . . C25 C 0.4584(3) 0.02221(17) 0.05082(17) 0.0235(7) Uani 1 1 d . . . H25 H 0.4355 -0.0251 0.0407 0.028 Uiso 1 1 calc R . . C26 C 0.3985(2) 0.07577(17) 0.00086(17) 0.0218(6) Uani 1 1 d . . . C27 C 0.4268(2) 0.14711(16) 0.01517(16) 0.0189(6) Uani 1 1 d . . . H27 H 0.3836 0.1820 -0.0195 0.023 Uiso 1 1 calc R . . C28 C 0.5205(2) 0.16605(15) 0.08195(15) 0.0170(6) Uani 1 1 d . . . C29 C 0.5862(2) 0.11161(16) 0.13133(15) 0.0185(6) Uani 1 1 d . . . C30 C 0.5543(2) 0.04077(16) 0.11697(17) 0.0216(6) Uani 1 1 d . . . H30 H 0.5967 0.0056 0.1514 0.026 Uiso 1 1 calc R . . C31 C 0.7617(2) 0.08263(15) 0.25432(16) 0.0197(6) Uani 1 1 d . . . C32 C 0.8015(3) 0.02608(16) 0.23663(18) 0.0238(7) Uani 1 1 d . . . H32 H 0.7760 0.0183 0.1879 0.029 Uiso 1 1 calc R . . C33 C 0.8786(3) -0.01843(17) 0.29131(18) 0.0252(7) Uani 1 1 d . . . H33 H 0.9052 -0.0565 0.2800 0.030 Uiso 1 1 calc R . . C34 C 0.9152(2) -0.00548(16) 0.36262(17) 0.0225(6) Uani 1 1 d . . . C35 C 0.8781(2) 0.05013(16) 0.38202(17) 0.0202(6) Uani 1 1 d . . . H35 H 0.9048 0.0574 0.4310 0.024 Uiso 1 1 calc R . . C36 C 0.7997(2) 0.09557(15) 0.32716(16) 0.0174(6) Uani 1 1 d . . . C37 C 0.8633(3) 0.21070(17) 0.43338(17) 0.0247(7) Uani 1 1 d . . . H37 H 0.8980 0.1717 0.4693 0.030 Uiso 1 1 calc R . . C38 C 0.9430(3) 0.2409(2) 0.4209(2) 0.0391(9) Uani 1 1 d . . . H38A H 0.9105 0.2795 0.3861 0.059 Uiso 1 1 calc R . . H38B H 0.9639 0.2040 0.4021 0.059 Uiso 1 1 calc R . . H38C H 1.0046 0.2584 0.4667 0.059 Uiso 1 1 calc R . . C39 C 0.8256(3) 0.2670(2) 0.46332(19) 0.0383(9) Uani 1 1 d . . . H39A H 0.8846 0.2816 0.5116 0.057 Uiso 1 1 calc R . . H39B H 0.7709 0.2467 0.4659 0.057 Uiso 1 1 calc R . . H39C H 0.7976 0.3078 0.4311 0.057 Uiso 1 1 calc R . . C40 C 0.6542(3) 0.13748(17) 0.36367(18) 0.0254(7) Uani 1 1 d . . . H40 H 0.6269 0.1780 0.3758 0.030 Uiso 1 1 calc R . . C41 C 0.5586(3) 0.1031(2) 0.2927(2) 0.0346(8) Uani 1 1 d . . . H41A H 0.5828 0.0634 0.2789 0.052 Uiso 1 1 calc R . . H41B H 0.5255 0.1380 0.2538 0.052 Uiso 1 1 calc R . . H41C H 0.5078 0.0866 0.3010 0.052 Uiso 1 1 calc R . . C42 C 0.7052(3) 0.0852(2) 0.4280(2) 0.0345(8) Uani 1 1 d . . . H42A H 0.6533 0.0708 0.4360 0.052 Uiso 1 1 calc R . . H42B H 0.7640 0.1081 0.4715 0.052 Uiso 1 1 calc R . . H42C H 0.7303 0.0439 0.4170 0.052 Uiso 1 1 calc R . . C44 C 0.6619(2) 0.33180(15) 0.27218(16) 0.0188(6) Uani 1 1 d . A . C46 C 0.7253(3) 0.45572(18) 0.29348(19) 0.0333(8) Uani 1 1 d . A . H46 H 0.7646 0.4907 0.2898 0.040 Uiso 1 1 calc R . . C47 C 0.6718(3) 0.47217(18) 0.32392(19) 0.0349(8) Uani 1 1 d . . . H47 H 0.6758 0.5180 0.3415 0.042 Uiso 1 1 calc R . . C48 C 0.6126(3) 0.42005(18) 0.32792(19) 0.0318(8) Uani 1 1 d . A . H48 H 0.5751 0.4306 0.3473 0.038 Uiso 1 1 calc R . . C49 C 0.5966(2) 0.30920(16) 0.06862(16) 0.0217(6) Uani 1 1 d . . . H49 H 0.6011 0.3595 0.0826 0.026 Uiso 1 1 calc R . . C50 C 0.5203(3) 0.30622(19) -0.01520(17) 0.0314(8) Uani 1 1 d . . . H50A H 0.5441 0.3388 -0.0359 0.047 Uiso 1 1 calc R . . H50B H 0.4500 0.3196 -0.0309 0.047 Uiso 1 1 calc R . . H50C H 0.5187 0.2584 -0.0316 0.047 Uiso 1 1 calc R . . C51 C 0.7086(3) 0.28671(19) 0.09522(19) 0.0299(7) Uani 1 1 d . . . H51A H 0.7071 0.2382 0.0804 0.045 Uiso 1 1 calc R . . H51B H 0.7558 0.2901 0.1479 0.045 Uiso 1 1 calc R . . H51C H 0.7333 0.3177 0.0740 0.045 Uiso 1 1 calc R . . C52 C 0.4198(2) 0.29590(17) 0.08168(17) 0.0230(6) Uani 1 1 d . . . H52 H 0.3720 0.2875 0.0285 0.028 Uiso 1 1 calc R . . C53 C 0.4241(3) 0.37697(17) 0.09424(19) 0.0303(8) Uani 1 1 d . . . H53A H 0.3542 0.3941 0.0759 0.045 Uiso 1 1 calc R . . H53B H 0.4486 0.4006 0.0687 0.045 Uiso 1 1 calc R . . H53C H 0.4722 0.3870 0.1459 0.045 Uiso 1 1 calc R . . C54 C 0.3735(3) 0.25595(19) 0.1168(2) 0.0329(8) Uani 1 1 d . . . H54A H 0.4169 0.2651 0.1688 0.049 Uiso 1 1 calc R . . H54B H 0.3726 0.2055 0.1084 0.049 Uiso 1 1 calc R . . H54C H 0.3022 0.2723 0.0953 0.049 Uiso 1 1 calc R . . F1 F 0.63997(16) 1.03091(10) 0.54750(10) 0.0335(5) Uani 1 1 d . . . F2 F 0.82902(16) 0.98794(10) 0.57596(11) 0.0345(5) Uani 1 1 d . . . F3 F 0.93773(14) 0.87999(10) 0.66835(10) 0.0254(4) Uani 1 1 d . . . F4 F 1.11207(13) 0.81970(9) 0.79878(9) 0.0210(4) Uani 1 1 d . . . F5 F 1.20559(16) 0.96694(11) 0.99657(10) 0.0360(5) Uani 1 1 d . . . F6 F 1.00583(17) 0.95188(11) 0.96241(11) 0.0368(5) Uani 1 1 d . . . F7 F 0.85957(14) 0.87330(10) 0.84764(10) 0.0262(4) Uani 1 1 d . . . F8 F 1.25568(14) 0.89806(10) 0.91362(10) 0.0272(4) Uani 1 1 d . . . F9 F 0.65111(16) 0.57788(10) 0.79150(12) 0.0352(5) Uani 1 1 d . . . F10 F 0.57923(14) 0.62578(10) 0.65374(10) 0.0293(4) Uani 1 1 d . . . F11 F 1.04517(14) 0.68859(9) 0.83369(10) 0.0253(4) Uani 1 1 d . . . F12 F 1.10396(16) 0.58061(10) 0.78693(12) 0.0384(5) Uani 1 1 d . . . F13 F 1.01151(18) 0.56271(11) 0.64060(13) 0.0466(6) Uani 1 1 d . . . F14 F 0.85684(16) 0.65624(12) 0.54203(11) 0.0394(5) Uani 1 1 d . . . F15 F 0.80146(14) 0.76568(10) 0.58652(9) 0.0264(4) Uani 1 1 d . . . F16 F 0.56365(14) 0.96321(10) 0.61541(10) 0.0304(4) Uani 1 1 d . . . F17 F 0.66608(14) 0.85289(10) 0.70378(10) 0.0253(4) Uani 1 1 d . . . F18 F 0.93901(14) 0.73581(10) 0.89711(9) 0.0249(4) Uani 1 1 d . . . F19 F 0.68454(14) 0.72639(9) 0.63838(9) 0.0234(4) Uani 1 1 d . . . F20 F 0.83107(15) 0.63635(10) 0.91147(10) 0.0309(4) Uani 1 1 d . . . F21 F 0.99119(15) -0.04895(10) 0.41630(11) 0.0319(4) Uani 1 1 d . . . C45 C 0.7198(3) 0.38679(17) 0.26852(18) 0.0259(7) Uani 1 1 d D . . H60A H 0.7565 0.3767 0.2484 0.031 Uiso 0.85 1 calc P A 1 F22A F 0.55259(18) 0.30161(12) 0.30883(13) 0.0329(7) Uani 0.845(5) 1 d P A 1 C43 C 0.6096(2) 0.35162(17) 0.30267(17) 0.0241(7) Uani 1 1 d . . . H60B H 0.5700 0.3170 0.3065 0.029 Uiso 0.15 1 calc P A 2 F22B F 0.7714(11) 0.3719(7) 0.2389(8) 0.046(5) Uani 0.155(5) 1 d PD A 2 F23 F 0.30688(15) 0.05804(10) -0.06459(10) 0.0324(5) Uani 1 1 d . . . N1 N 0.6903(2) 0.13536(13) 0.19811(13) 0.0219(5) Uani 1 1 d . A . H1 H 0.7269 0.1499 0.1801 0.026 Uiso 1 1 calc R . . P1 P 0.55099(6) 0.25898(4) 0.11526(4) 0.01708(15) Uani 1 1 d . A . P2 P 0.74939(6) 0.17388(4) 0.34694(4) 0.01667(15) Uani 1 1 d . A . Pt1 Pt 0.666615(9) 0.233351(6) 0.237794(6) 0.01628(4) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 B1 0.0145(15) 0.0162(15) 0.0153(16) -0.0005(12) 0.0071(14) 0.0009(12) C1 0.0203(14) 0.0152(14) 0.0132(14) 0.0024(11) 0.0067(13) 0.0013(11) C2 0.0315(17) 0.0176(15) 0.0142(15) -0.0015(11) 0.0072(14) -0.0047(13) C3 0.0342(18) 0.0166(14) 0.0211(16) 0.0005(12) 0.0166(15) 0.0043(13) C4 0.0203(15) 0.0197(15) 0.0178(15) 0.0033(11) 0.0079(13) -0.0011(12) C5 0.0166(14) 0.0149(14) 0.0148(14) 0.0034(10) 0.0069(12) 0.0033(11) C6 0.0202(15) 0.0178(14) 0.0199(16) 0.0016(11) 0.0105(13) 0.0025(12) C7 0.0158(14) 0.0172(14) 0.0128(14) -0.0015(11) 0.0052(12) -0.0002(11) C8 0.0176(14) 0.0205(15) 0.0168(15) -0.0001(11) 0.0073(13) -0.0003(12) C9 0.0190(14) 0.0180(14) 0.0156(15) -0.0016(11) 0.0079(13) -0.0007(11) C10 0.0182(14) 0.0186(14) 0.0190(16) -0.0028(11) 0.0072(13) 0.0041(12) C11 0.0277(17) 0.0159(14) 0.0143(15) 0.0016(11) 0.0059(14) 0.0057(12) C12 0.0276(16) 0.0195(15) 0.0179(16) 0.0017(12) 0.0110(14) -0.0024(12) C13 0.0143(13) 0.0147(13) 0.0190(15) -0.0003(11) 0.0093(12) 0.0030(11) C14 0.0174(14) 0.0201(15) 0.0171(15) 0.0013(11) 0.0081(13) 0.0049(11) C15 0.0268(16) 0.0211(15) 0.0237(16) 0.0060(12) 0.0181(15) 0.0086(12) C16 0.0257(16) 0.0160(15) 0.0382(19) 0.0028(13) 0.0227(16) 0.0016(12) C17 0.0175(14) 0.0173(15) 0.0265(17) -0.0048(12) 0.0109(14) -0.0006(11) C18 0.0174(14) 0.0176(14) 0.0160(14) 0.0003(11) 0.0083(12) 0.0027(11) C19 0.0295(17) 0.0198(16) 0.046(2) -0.0139(14) 0.0255(17) -0.0063(13) C20 0.0211(16) 0.0168(15) 0.045(2) 0.0010(14) 0.0195(16) 0.0004(12) C21 0.0171(14) 0.0166(14) 0.0231(16) 0.0014(11) 0.0100(13) -0.0023(11) C22 0.0243(16) 0.0318(18) 0.0294(18) -0.0133(14) 0.0172(15) -0.0091(14) C23 0.0146(13) 0.0146(13) 0.0210(15) -0.0015(11) 0.0090(13) -0.0028(11) C24 0.0162(14) 0.0222(15) 0.0187(15) -0.0022(11) 0.0070(13) -0.0025(12) C25 0.0280(17) 0.0186(15) 0.0267(17) -0.0043(12) 0.0176(15) -0.0067(13) C26 0.0178(15) 0.0259(16) 0.0181(15) -0.0065(12) 0.0086(13) -0.0056(12) C27 0.0197(15) 0.0195(14) 0.0168(15) -0.0005(11) 0.0103(13) 0.0001(12) C28 0.0216(15) 0.0141(13) 0.0155(14) 0.0005(11) 0.0109(13) -0.0010(11) C29 0.0226(15) 0.0188(14) 0.0133(14) -0.0011(11) 0.0100(13) 0.0004(12) C30 0.0271(16) 0.0168(14) 0.0203(16) 0.0016(11) 0.0136(14) 0.0021(12) C31 0.0229(15) 0.0149(14) 0.0173(15) 0.0030(11) 0.0096(13) -0.0001(11) C32 0.0315(17) 0.0197(15) 0.0230(16) -0.0014(12) 0.0175(15) -0.0016(13) C33 0.0290(17) 0.0186(15) 0.0354(19) 0.0009(13) 0.0230(16) 0.0016(13) C34 0.0168(14) 0.0208(15) 0.0283(17) 0.0042(12) 0.0122(14) 0.0012(12) C35 0.0182(14) 0.0226(15) 0.0179(15) 0.0029(12) 0.0095(13) 0.0003(12) C36 0.0167(14) 0.0172(14) 0.0184(15) 0.0014(11) 0.0104(13) -0.0009(11) C37 0.0242(16) 0.0224(15) 0.0140(15) -0.0015(12) 0.0037(13) 0.0002(13) C38 0.0289(19) 0.043(2) 0.0260(19) -0.0009(16) 0.0055(16) -0.0149(16) C39 0.038(2) 0.035(2) 0.0202(18) -0.0102(15) 0.0044(16) 0.0068(16) C40 0.0300(17) 0.0244(16) 0.0304(18) 0.0036(13) 0.0226(16) 0.0039(13) C41 0.0263(18) 0.038(2) 0.041(2) 0.0004(16) 0.0207(17) -0.0052(15) C42 0.041(2) 0.039(2) 0.038(2) 0.0106(16) 0.0310(19) 0.0044(16) C44 0.0162(14) 0.0160(14) 0.0139(14) -0.0009(11) 0.0030(12) 0.0022(11) C46 0.0341(19) 0.0205(16) 0.032(2) -0.0009(14) 0.0122(17) -0.0046(14) C47 0.0333(19) 0.0213(17) 0.0305(19) -0.0073(14) 0.0077(16) 0.0026(14) C48 0.0291(18) 0.0302(18) 0.0284(19) -0.0081(14) 0.0126(16) 0.0061(14) C49 0.0188(14) 0.0172(14) 0.0195(16) 0.0019(11) 0.0059(13) -0.0022(11) C50 0.0277(17) 0.0344(19) 0.0213(17) 0.0098(14) 0.0083(15) -0.0052(15) C51 0.0213(16) 0.0360(19) 0.0250(18) 0.0025(14) 0.0095(15) -0.0017(14) C52 0.0171(14) 0.0216(15) 0.0199(16) -0.0004(12) 0.0050(13) 0.0041(12) C53 0.0264(17) 0.0238(17) 0.0277(18) -0.0010(13) 0.0086(15) 0.0096(13) C54 0.0281(18) 0.036(2) 0.038(2) -0.0064(15) 0.0211(17) 0.0001(15) F1 0.0414(12) 0.0221(10) 0.0274(11) 0.0118(8) 0.0148(10) 0.0139(9) F2 0.0417(12) 0.0297(11) 0.0348(11) 0.0135(9) 0.0239(10) 0.0028(9) F3 0.0208(9) 0.0307(10) 0.0258(10) 0.0066(8) 0.0142(8) 0.0022(8) F4 0.0190(8) 0.0235(9) 0.0193(9) -0.0037(7) 0.0106(8) -0.0031(7) F5 0.0421(12) 0.0323(11) 0.0220(10) -0.0131(8) 0.0124(9) -0.0153(9) F6 0.0494(13) 0.0338(11) 0.0345(12) -0.0130(9) 0.0286(11) -0.0013(9) F7 0.0251(9) 0.0273(10) 0.0291(10) -0.0031(8) 0.0176(9) 0.0038(8) F8 0.0213(9) 0.0279(10) 0.0246(10) -0.0040(8) 0.0091(8) -0.0094(8) F9 0.0364(11) 0.0273(10) 0.0485(13) 0.0057(9) 0.0287(11) -0.0058(9) F10 0.0220(9) 0.0258(10) 0.0328(11) -0.0080(8) 0.0120(9) -0.0088(8) F11 0.0208(9) 0.0247(10) 0.0237(10) 0.0070(7) 0.0093(8) 0.0046(7) F12 0.0340(11) 0.0219(10) 0.0573(14) 0.0097(9) 0.0257(11) 0.0129(8) F13 0.0483(13) 0.0296(11) 0.0691(16) -0.0222(11) 0.0386(13) -0.0017(10) F14 0.0375(12) 0.0492(13) 0.0306(11) -0.0216(10) 0.0195(10) -0.0096(10) F15 0.0228(9) 0.0336(10) 0.0152(9) -0.0012(7) 0.0070(8) 0.0021(8) F16 0.0235(10) 0.0297(10) 0.0303(11) 0.0048(8) 0.0115(9) 0.0126(8) F17 0.0217(9) 0.0264(10) 0.0302(10) 0.0057(8) 0.0167(9) 0.0052(7) F18 0.0228(9) 0.0307(10) 0.0135(9) 0.0022(7) 0.0063(8) -0.0005(8) F19 0.0207(9) 0.0260(10) 0.0152(9) -0.0008(7) 0.0059(8) -0.0016(7) F20 0.0351(11) 0.0355(11) 0.0276(10) 0.0122(8) 0.0214(9) 0.0072(9) F21 0.0246(10) 0.0291(10) 0.0351(11) 0.0092(8) 0.0136(9) 0.0109(8) C45 0.0230(16) 0.0215(16) 0.0247(17) -0.0027(13) 0.0092(15) -0.0008(13) F22A 0.0368(14) 0.0298(13) 0.0451(15) -0.0067(11) 0.0313(13) -0.0040(10) C43 0.0212(15) 0.0223(15) 0.0212(16) -0.0040(12) 0.0082(14) 0.0004(12) F22B 0.045(9) 0.043(9) 0.060(10) -0.011(7) 0.036(8) -0.021(7) F23 0.0248(10) 0.0285(10) 0.0241(10) -0.0095(8) 0.0033(9) -0.0084(8) N1 0.0241(13) 0.0192(13) 0.0165(13) 0.0000(10) 0.0085(12) 0.0019(10) P1 0.0163(4) 0.0137(3) 0.0139(4) 0.0003(3) 0.0047(3) 0.0009(3) P2 0.0168(4) 0.0168(4) 0.0131(4) -0.0004(3) 0.0069(3) 0.0006(3) Pt1 0.01752(6) 0.01321(6) 0.01203(6) -0.00069(4) 0.00529(5) 0.00112(4) _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 B1 C5 1.648(4) . ? B1 C13 1.655(4) . ? B1 C7 1.657(4) . ? B1 C23 1.661(4) . ? C1 F4 1.368(3) . ? C1 C4 1.382(4) . ? C1 C5 1.382(4) . ? C2 F5 1.343(3) . ? C2 C4 1.370(4) . ? C2 C3 1.378(5) . ? C3 F6 1.333(3) . ? C3 C6 1.377(4) . ? C4 F8 1.362(3) . ? C5 C6 1.391(4) . ? C6 F7 1.356(3) . ? C7 C9 1.383(4) . ? C7 C8 1.389(4) . ? C8 F3 1.353(3) . ? C8 C12 1.383(4) . ? C9 F17 1.352(3) . ? C9 C10 1.389(4) . ? C10 F16 1.349(3) . ? C10 C11 1.371(4) . ? C11 F1 1.349(3) . ? C11 C12 1.376(4) . ? C12 F2 1.345(4) . ? C13 C14 1.387(4) . ? C13 C18 1.387(4) . ? C14 F18 1.350(3) . ? C14 C15 1.385(4) . ? C15 F20 1.349(3) . ? C15 C16 1.373(5) . ? C16 F9 1.342(3) . ? C16 C17 1.380(5) . ? C17 F10 1.349(3) . ? C17 C18 1.371(4) . ? C18 F19 1.359(3) . ? C19 F13 1.345(4) . ? C19 C22 1.369(5) . ? C19 C20 1.374(5) . ? C20 F12 1.351(4) . ? C20 C21 1.381(4) . ? C21 F11 1.350(3) . ? C21 C23 1.396(4) . ? C22 F14 1.344(4) . ? C22 C24 1.385(4) . ? C23 C24 1.386(4) . ? C24 F15 1.356(3) . ? C25 C26 1.377(4) . ? C25 C30 1.393(4) . ? C25 H25 0.9300 . ? C26 F23 1.354(3) . ? C26 C27 1.380(4) . ? C27 C28 1.387(4) . ? C27 H27 0.9300 . ? C28 C29 1.405(4) . ? C28 P1 1.838(3) . ? C29 C30 1.382(4) . ? C29 N1 1.485(4) . ? C30 H30 0.9300 . ? C31 C32 1.392(4) . ? C31 C36 1.396(4) . ? C31 N1 1.465(4) . ? C32 C33 1.379(4) . ? C32 H32 0.9300 . ? C33 C34 1.370(4) . ? C33 H33 0.9300 . ? C34 F21 1.353(3) . ? C34 C35 1.376(4) . ? C35 C36 1.398(4) . ? C35 H35 0.9300 . ? C36 P2 1.830(3) . ? C37 C38 1.525(5) . ? C37 C39 1.536(5) . ? C37 P2 1.825(3) . ? C37 H37 0.9800 . ? C38 H38A 0.9600 . ? C38 H38B 0.9600 . ? C38 H38C 0.9600 . ? C39 H39A 0.9600 . ? C39 H39B 0.9600 . ? C39 H39C 0.9600 . ? C40 C42 1.524(4) . ? C40 C41 1.541(5) . ? C40 P2 1.851(3) . ? C40 H40 0.9800 . ? C41 H41A 0.9600 . ? C41 H41B 0.9600 . ? C41 H41C 0.9600 . ? C42 H42A 0.9600 . ? C42 H42B 0.9600 . ? C42 H42C 0.9600 . ? C44 C43 1.383(4) . ? C44 C45 1.398(4) . ? C44 Pt1 2.012(3) . ? C46 C47 1.383(5) . ? C46 C45 1.387(4) . ? C46 H46 0.9300 . ? C47 C48 1.376(5) . ? C47 H47 0.9300 . ? C48 C43 1.387(4) . ? C48 H48 0.9300 . ? C49 C50 1.526(4) . ? C49 C51 1.526(4) . ? C49 P1 1.828(3) . ? C49 H49 0.9800 . ? C50 H50A 0.9600 . ? C50 H50B 0.9600 . ? C50 H50C 0.9600 . ? C51 H51A 0.9600 . ? C51 H51B 0.9600 . ? C51 H51C 0.9600 . ? C52 C53 1.534(4) . ? C52 C54 1.535(5) . ? C52 P1 1.838(3) . ? C52 H52 0.9800 . ? C53 H53A 0.9600 . ? C53 H53B 0.9600 . ? C53 H53C 0.9600 . ? C54 H54A 0.9600 . ? C54 H54B 0.9600 . ? C54 H54C 0.9600 . ? C45 F22B 1.335(5) . ? C45 H60A 0.9300 . ? F22A C43 1.347(4) . ? C43 H60B 0.9300 . ? N1 Pt1 2.159(2) . ? N1 H1 0.9100 . ? P1 Pt1 2.2838(8) . ? P2 Pt1 2.2780(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 C5 B1 C13 114.2(2) . . ? C5 B1 C7 101.8(2) . . ? C13 B1 C7 113.8(2) . . ? C5 B1 C23 114.2(2) . . ? C13 B1 C23 99.7(2) . . ? C7 B1 C23 113.7(2) . . ? F4 C1 C4 114.6(3) . . ? F4 C1 C5 121.1(3) . . ? C4 C1 C5 124.3(3) . . ? F5 C2 C4 120.5(3) . . ? F5 C2 C3 120.7(3) . . ? C4 C2 C3 118.8(3) . . ? F6 C3 C6 120.9(3) . . ? F6 C3 C2 120.0(3) . . ? C6 C3 C2 119.0(3) . . ? F8 C4 C2 119.6(3) . . ? F8 C4 C1 120.5(3) . . ? C2 C4 C1 119.9(3) . . ? C1 C5 C6 112.9(3) . . ? C1 C5 B1 127.0(3) . . ? C6 C5 B1 119.8(3) . . ? F7 C6 C3 116.0(3) . . ? F7 C6 C5 118.9(3) . . ? C3 C6 C5 125.0(3) . . ? C9 C7 C8 113.9(3) . . ? C9 C7 B1 126.5(3) . . ? C8 C7 B1 119.4(3) . . ? F3 C8 C12 115.7(3) . . ? F3 C8 C7 119.9(3) . . ? C12 C8 C7 124.4(3) . . ? F17 C9 C7 121.3(3) . . ? F17 C9 C10 115.1(3) . . ? C7 C9 C10 123.6(3) . . ? F16 C10 C11 119.8(3) . . ? F16 C10 C9 120.4(3) . . ? C11 C10 C9 119.8(3) . . ? F1 C11 C10 120.5(3) . . ? F1 C11 C12 120.2(3) . . ? C10 C11 C12 119.3(3) . . ? F2 C12 C11 120.0(3) . . ? F2 C12 C8 121.0(3) . . ? C11 C12 C8 119.0(3) . . ? C14 C13 C18 112.7(3) . . ? C14 C13 B1 128.4(3) . . ? C18 C13 B1 118.3(3) . . ? F18 C14 C15 115.1(3) . . ? F18 C14 C13 120.9(3) . . ? C15 C14 C13 124.0(3) . . ? F20 C15 C16 119.2(3) . . ? F20 C15 C14 120.5(3) . . ? C16 C15 C14 120.3(3) . . ? F9 C16 C15 120.9(3) . . ? F9 C16 C17 120.8(3) . . ? C15 C16 C17 118.2(3) . . ? F10 C17 C18 120.5(3) . . ? F10 C17 C16 120.3(3) . . ? C18 C17 C16 119.2(3) . . ? F19 C18 C17 115.5(3) . . ? F19 C18 C13 118.9(3) . . ? C17 C18 C13 125.6(3) . . ? F13 C19 C22 120.8(3) . . ? F13 C19 C20 120.4(3) . . ? C22 C19 C20 118.8(3) . . ? F12 C20 C19 119.8(3) . . ? F12 C20 C21 120.3(3) . . ? C19 C20 C21 119.9(3) . . ? F11 C21 C20 116.6(3) . . ? F11 C21 C23 119.4(3) . . ? C20 C21 C23 124.0(3) . . ? F14 C22 C19 120.1(3) . . ? F14 C22 C24 120.2(3) . . ? C19 C22 C24 119.7(3) . . ? C24 C23 C21 113.2(3) . . ? C24 C23 B1 127.3(3) . . ? C21 C23 B1 118.8(3) . . ? F15 C24 C22 114.8(3) . . ? F15 C24 C23 120.9(3) . . ? C22 C24 C23 124.4(3) . . ? C26 C25 C30 118.3(3) . . ? C26 C25 H25 120.8 . . ? C30 C25 H25 120.8 . . ? F23 C26 C25 118.8(3) . . ? F23 C26 C27 118.4(3) . . ? C25 C26 C27 122.8(3) . . ? C26 C27 C28 119.0(3) . . ? C26 C27 H27 120.5 . . ? C28 C27 H27 120.5 . . ? C27 C28 C29 118.8(3) . . ? C27 C28 P1 122.4(2) . . ? C29 C28 P1 117.9(2) . . ? C30 C29 C28 120.9(3) . . ? C30 C29 N1 123.3(3) . . ? C28 C29 N1 115.8(2) . . ? C29 C30 C25 119.9(3) . . ? C29 C30 H30 120.1 . . ? C25 C30 H30 120.1 . . ? C32 C31 C36 120.8(3) . . ? C32 C31 N1 120.1(3) . . ? C36 C31 N1 118.5(3) . . ? C33 C32 C31 120.0(3) . . ? C33 C32 H32 120.0 . . ? C31 C32 H32 120.0 . . ? C34 C33 C32 118.8(3) . . ? C34 C33 H33 120.6 . . ? C32 C33 H33 120.6 . . ? F21 C34 C33 118.8(3) . . ? F21 C34 C35 118.5(3) . . ? C33 C34 C35 122.7(3) . . ? C34 C35 C36 119.2(3) . . ? C34 C35 H35 120.4 . . ? C36 C35 H35 120.4 . . ? C31 C36 C35 118.5(3) . . ? C31 C36 P2 118.4(2) . . ? C35 C36 P2 123.0(2) . . ? C38 C37 C39 112.6(3) . . ? C38 C37 P2 109.0(2) . . ? C39 C37 P2 110.1(2) . . ? C38 C37 H37 108.3 . . ? C39 C37 H37 108.3 . . ? P2 C37 H37 108.3 . . ? C37 C38 H38A 109.5 . . ? C37 C38 H38B 109.5 . . ? H38A C38 H38B 109.5 . . ? C37 C38 H38C 109.5 . . ? H38A C38 H38C 109.5 . . ? H38B C38 H38C 109.5 . . ? C37 C39 H39A 109.5 . . ? C37 C39 H39B 109.5 . . ? H39A C39 H39B 109.5 . . ? C37 C39 H39C 109.5 . . ? H39A C39 H39C 109.5 . . ? H39B C39 H39C 109.5 . . ? C42 C40 C41 111.2(3) . . ? C42 C40 P2 113.4(2) . . ? C41 C40 P2 109.9(2) . . ? C42 C40 H40 107.4 . . ? C41 C40 H40 107.4 . . ? P2 C40 H40 107.4 . . ? C40 C41 H41A 109.5 . . ? C40 C41 H41B 109.5 . . ? H41A C41 H41B 109.5 . . ? C40 C41 H41C 109.5 . . ? H41A C41 H41C 109.5 . . ? H41B C41 H41C 109.5 . . ? C40 C42 H42A 109.5 . . ? C40 C42 H42B 109.5 . . ? H42A C42 H42B 109.5 . . ? C40 C42 H42C 109.5 . . ? H42A C42 H42C 109.5 . . ? H42B C42 H42C 109.5 . . ? C43 C44 C45 114.6(3) . . ? C43 C44 Pt1 126.7(2) . . ? C45 C44 Pt1 118.7(2) . . ? C47 C46 C45 119.6(3) . . ? C47 C46 H46 120.2 . . ? C45 C46 H46 120.2 . . ? C48 C47 C46 119.4(3) . . ? C48 C47 H47 120.3 . . ? C46 C47 H47 120.3 . . ? C47 C48 C43 119.3(3) . . ? C47 C48 H48 120.4 . . ? C43 C48 H48 120.4 . . ? C50 C49 C51 110.6(3) . . ? C50 C49 P1 114.0(2) . . ? C51 C49 P1 111.6(2) . . ? C50 C49 H49 106.7 . . ? C51 C49 H49 106.7 . . ? P1 C49 H49 106.7 . . ? C49 C50 H50A 109.5 . . ? C49 C50 H50B 109.5 . . ? H50A C50 H50B 109.5 . . ? C49 C50 H50C 109.5 . . ? H50A C50 H50C 109.5 . . ? H50B C50 H50C 109.5 . . ? C49 C51 H51A 109.5 . . ? C49 C51 H51B 109.5 . . ? H51A C51 H51B 109.5 . . ? C49 C51 H51C 109.5 . . ? H51A C51 H51C 109.5 . . ? H51B C51 H51C 109.5 . . ? C53 C52 C54 111.6(3) . . ? C53 C52 P1 112.1(2) . . ? C54 C52 P1 110.2(2) . . ? C53 C52 H52 107.6 . . ? C54 C52 H52 107.6 . . ? P1 C52 H52 107.6 . . ? C52 C53 H53A 109.5 . . ? C52 C53 H53B 109.5 . . ? H53A C53 H53B 109.5 . . ? C52 C53 H53C 109.5 . . ? H53A C53 H53C 109.5 . . ? H53B C53 H53C 109.5 . . ? C52 C54 H54A 109.5 . . ? C52 C54 H54B 109.5 . . ? H54A C54 H54B 109.5 . . ? C52 C54 H54C 109.5 . . ? H54A C54 H54C 109.5 . . ? H54B C54 H54C 109.5 . . ? F22B C45 C46 118.9(7) . . ? F22B C45 C44 118.0(6) . . ? C46 C45 C44 123.1(3) . . ? C46 C45 H60A 118.4 . . ? C44 C45 H60A 118.4 . . ? F22A C43 C44 118.4(3) . . ? F22A C43 C48 117.6(3) . . ? C44 C43 C48 124.0(3) . . ? C44 C43 H60B 118.0 . . ? C48 C43 H60B 118.0 . . ? C31 N1 C29 119.5(2) . . ? C31 N1 Pt1 116.10(18) . . ? C29 N1 Pt1 108.82(18) . . ? C31 N1 H1 103.4 . . ? C29 N1 H1 103.4 . . ? Pt1 N1 H1 103.4 . . ? C49 P1 C52 106.21(14) . . ? C49 P1 C28 110.15(14) . . ? C52 P1 C28 103.26(14) . . ? C49 P1 Pt1 120.22(10) . . ? C52 P1 Pt1 117.99(11) . . ? C28 P1 Pt1 97.15(9) . . ? C37 P2 C36 105.96(14) . . ? C37 P2 C40 108.14(15) . . ? C36 P2 C40 105.00(14) . . ? C37 P2 Pt1 122.81(11) . . ? C36 P2 Pt1 100.36(10) . . ? C40 P2 Pt1 112.61(11) . . ? C44 Pt1 N1 170.46(11) . . ? C44 Pt1 P2 99.05(8) . . ? N1 Pt1 P2 84.59(7) . . ? C44 Pt1 P1 95.22(8) . . ? N1 Pt1 P1 83.34(7) . . ? P2 Pt1 P1 160.96(3) . . ? 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 F5 C2 C3 F6 -0.2(5) . . . . ? C4 C2 C3 F6 179.6(3) . . . . ? F5 C2 C3 C6 179.9(3) . . . . ? C4 C2 C3 C6 -0.3(5) . . . . ? F5 C2 C4 F8 0.3(4) . . . . ? C3 C2 C4 F8 -179.6(3) . . . . ? F5 C2 C4 C1 179.9(3) . . . . ? C3 C2 C4 C1 0.0(4) . . . . ? F4 C1 C4 F8 -2.4(4) . . . . ? C5 C1 C4 F8 178.0(3) . . . . ? F4 C1 C4 C2 178.0(3) . . . . ? C5 C1 C4 C2 -1.5(5) . . . . ? F4 C1 C5 C6 -176.5(2) . . . . ? C4 C1 C5 C6 3.0(4) . . . . ? F4 C1 C5 B1 -2.9(4) . . . . ? C4 C1 C5 B1 176.6(3) . . . . ? C13 B1 C5 C1 135.5(3) . . . . ? C7 B1 C5 C1 -101.4(3) . . . . ? C23 B1 C5 C1 21.6(4) . . . . ? C13 B1 C5 C6 -51.3(4) . . . . ? C7 B1 C5 C6 71.8(3) . . . . ? C23 B1 C5 C6 -165.2(3) . . . . ? F6 C3 C6 F7 1.6(4) . . . . ? C2 C3 C6 F7 -178.5(3) . . . . ? F6 C3 C6 C5 -177.8(3) . . . . ? C2 C3 C6 C5 2.1(5) . . . . ? C1 C5 C6 F7 177.3(2) . . . . ? B1 C5 C6 F7 3.2(4) . . . . ? C1 C5 C6 C3 -3.3(4) . . . . ? B1 C5 C6 C3 -177.5(3) . . . . ? C5 B1 C7 C9 -102.4(3) . . . . ? C13 B1 C7 C9 21.0(4) . . . . ? C23 B1 C7 C9 134.3(3) . . . . ? C5 B1 C7 C8 71.6(3) . . . . ? C13 B1 C7 C8 -165.0(3) . . . . ? C23 B1 C7 C8 -51.7(4) . . . . ? C9 C7 C8 F3 177.2(3) . . . . ? B1 C7 C8 F3 2.5(4) . . . . ? C9 C7 C8 C12 -3.4(4) . . . . ? B1 C7 C8 C12 -178.1(3) . . . . ? C8 C7 C9 F17 -179.2(3) . . . . ? B1 C7 C9 F17 -4.9(4) . . . . ? C8 C7 C9 C10 1.9(4) . . . . ? B1 C7 C9 C10 176.2(3) . . . . ? F17 C9 C10 F16 0.2(4) . . . . ? C7 C9 C10 F16 179.2(3) . . . . ? F17 C9 C10 C11 -178.3(3) . . . . ? C7 C9 C10 C11 0.7(5) . . . . ? F16 C10 C11 F1 -0.3(4) . . . . ? C9 C10 C11 F1 178.2(3) . . . . ? F16 C10 C11 C12 179.4(3) . . . . ? C9 C10 C11 C12 -2.0(4) . . . . ? F1 C11 C12 F2 0.8(4) . . . . ? C10 C11 C12 F2 -178.9(3) . . . . ? F1 C11 C12 C8 -179.6(3) . . . . ? C10 C11 C12 C8 0.7(5) . . . . ? F3 C8 C12 F2 1.2(4) . . . . ? C7 C8 C12 F2 -178.2(3) . . . . ? F3 C8 C12 C11 -178.4(3) . . . . ? C7 C8 C12 C11 2.2(5) . . . . ? C5 B1 C13 C14 -19.3(4) . . . . ? C7 B1 C13 C14 -135.6(3) . . . . ? C23 B1 C13 C14 103.0(3) . . . . ? C5 B1 C13 C18 170.6(2) . . . . ? C7 B1 C13 C18 54.3(3) . . . . ? C23 B1 C13 C18 -67.1(3) . . . . ? C18 C13 C14 F18 177.7(2) . . . . ? B1 C13 C14 F18 7.1(5) . . . . ? C18 C13 C14 C15 -0.8(4) . . . . ? B1 C13 C14 C15 -171.4(3) . . . . ? F18 C14 C15 F20 1.0(4) . . . . ? C13 C14 C15 F20 179.6(3) . . . . ? F18 C14 C15 C16 -178.1(3) . . . . ? C13 C14 C15 C16 0.5(5) . . . . ? F20 C15 C16 F9 -1.4(4) . . . . ? C14 C15 C16 F9 177.7(3) . . . . ? F20 C15 C16 C17 -178.9(3) . . . . ? C14 C15 C16 C17 0.2(4) . . . . ? F9 C16 C17 F10 0.7(4) . . . . ? C15 C16 C17 F10 178.2(3) . . . . ? F9 C16 C17 C18 -178.0(3) . . . . ? C15 C16 C17 C18 -0.5(4) . . . . ? F10 C17 C18 F19 0.1(4) . . . . ? C16 C17 C18 F19 178.8(3) . . . . ? F10 C17 C18 C13 -178.6(3) . . . . ? C16 C17 C18 C13 0.1(5) . . . . ? C14 C13 C18 F19 -178.1(2) . . . . ? B1 C13 C18 F19 -6.5(4) . . . . ? C14 C13 C18 C17 0.5(4) . . . . ? B1 C13 C18 C17 172.1(3) . . . . ? F13 C19 C20 F12 -1.3(5) . . . . ? C22 C19 C20 F12 178.8(3) . . . . ? F13 C19 C20 C21 179.8(3) . . . . ? C22 C19 C20 C21 -0.1(5) . . . . ? F12 C20 C21 F11 -2.1(4) . . . . ? C19 C20 C21 F11 176.9(3) . . . . ? F12 C20 C21 C23 -179.3(3) . . . . ? C19 C20 C21 C23 -0.3(5) . . . . ? F13 C19 C22 F14 1.5(5) . . . . ? C20 C19 C22 F14 -178.6(3) . . . . ? F13 C19 C22 C24 -179.0(3) . . . . ? C20 C19 C22 C24 0.9(5) . . . . ? F11 C21 C23 C24 -177.2(3) . . . . ? C20 C21 C23 C24 -0.1(4) . . . . ? F11 C21 C23 B1 -5.8(4) . . . . ? C20 C21 C23 B1 171.3(3) . . . . ? C5 B1 C23 C24 -136.5(3) . . . . ? C13 B1 C23 C24 101.3(3) . . . . ? C7 B1 C23 C24 -20.3(4) . . . . ? C5 B1 C23 C21 53.5(4) . . . . ? C13 B1 C23 C21 -68.8(3) . . . . ? C7 B1 C23 C21 169.7(2) . . . . ? F14 C22 C24 F15 -0.3(4) . . . . ? C19 C22 C24 F15 -179.8(3) . . . . ? F14 C22 C24 C23 178.2(3) . . . . ? C19 C22 C24 C23 -1.4(5) . . . . ? C21 C23 C24 F15 179.3(3) . . . . ? B1 C23 C24 F15 8.8(5) . . . . ? C21 C23 C24 C22 0.9(4) . . . . ? B1 C23 C24 C22 -169.6(3) . . . . ? C30 C25 C26 F23 177.9(3) . . . . ? C30 C25 C26 C27 -3.3(5) . . . . ? F23 C26 C27 C28 -179.9(3) . . . . ? C25 C26 C27 C28 1.4(5) . . . . ? C26 C27 C28 C29 3.1(4) . . . . ? C26 C27 C28 P1 -166.1(2) . . . . ? C27 C28 C29 C30 -5.6(4) . . . . ? P1 C28 C29 C30 164.0(2) . . . . ? C27 C28 C29 N1 173.9(3) . . . . ? P1 C28 C29 N1 -16.4(3) . . . . ? C28 C29 C30 C25 3.6(5) . . . . ? N1 C29 C30 C25 -175.8(3) . . . . ? C26 C25 C30 C29 0.8(5) . . . . ? C36 C31 C32 C33 0.6(5) . . . . ? N1 C31 C32 C33 172.1(3) . . . . ? C31 C32 C33 C34 -0.5(5) . . . . ? C32 C33 C34 F21 -179.7(3) . . . . ? C32 C33 C34 C35 0.1(5) . . . . ? F21 C34 C35 C36 179.9(3) . . . . ? C33 C34 C35 C36 0.1(5) . . . . ? C32 C31 C36 C35 -0.4(4) . . . . ? N1 C31 C36 C35 -172.0(3) . . . . ? C32 C31 C36 P2 176.5(2) . . . . ? N1 C31 C36 P2 4.9(4) . . . . ? C34 C35 C36 C31 0.1(4) . . . . ? C34 C35 C36 P2 -176.7(2) . . . . ? C45 C46 C47 C48 -1.0(5) . . . . ? C46 C47 C48 C43 1.3(5) . . . . ? C47 C46 C45 F22B 179.6(8) . . . . ? C47 C46 C45 C44 0.2(5) . . . . ? C43 C44 C45 F22B -179.2(8) . . . . ? Pt1 C44 C45 F22B 3.2(9) . . . . ? C43 C44 C45 C46 0.2(5) . . . . ? Pt1 C44 C45 C46 -177.4(3) . . . . ? C45 C44 C43 F22A -179.5(3) . . . . ? Pt1 C44 C43 F22A -2.1(4) . . . . ? C45 C44 C43 C48 0.1(5) . . . . ? Pt1 C44 C43 C48 177.5(2) . . . . ? C47 C48 C43 F22A 178.7(3) . . . . ? C47 C48 C43 C44 -0.9(5) . . . . ? C32 C31 N1 C29 61.4(4) . . . . ? C36 C31 N1 C29 -126.9(3) . . . . ? C32 C31 N1 Pt1 -165.0(2) . . . . ? C36 C31 N1 Pt1 6.6(3) . . . . ? C30 C29 N1 C31 -3.4(4) . . . . ? C28 C29 N1 C31 177.1(3) . . . . ? C30 C29 N1 Pt1 -140.0(3) . . . . ? C28 C29 N1 Pt1 40.5(3) . . . . ? C50 C49 P1 C52 -57.2(3) . . . . ? C51 C49 P1 C52 176.6(2) . . . . ? C50 C49 P1 C28 54.0(3) . . . . ? C51 C49 P1 C28 -72.3(2) . . . . ? C50 C49 P1 Pt1 165.5(2) . . . . ? C51 C49 P1 Pt1 39.3(3) . . . . ? C53 C52 P1 C49 -56.1(3) . . . . ? C54 C52 P1 C49 178.9(2) . . . . ? C53 C52 P1 C28 -172.0(2) . . . . ? C54 C52 P1 C28 63.0(2) . . . . ? C53 C52 P1 Pt1 82.3(2) . . . . ? C54 C52 P1 Pt1 -42.7(3) . . . . ? C27 C28 P1 C49 -78.3(3) . . . . ? C29 C28 P1 C49 112.5(2) . . . . ? C27 C28 P1 C52 34.8(3) . . . . ? C29 C28 P1 C52 -134.5(2) . . . . ? C27 C28 P1 Pt1 155.8(2) . . . . ? C29 C28 P1 Pt1 -13.4(2) . . . . ? C38 C37 P2 C36 67.8(3) . . . . ? C39 C37 P2 C36 -168.3(2) . . . . ? C38 C37 P2 C40 179.9(2) . . . . ? C39 C37 P2 C40 -56.1(3) . . . . ? C38 C37 P2 Pt1 -46.2(3) . . . . ? C39 C37 P2 Pt1 77.7(3) . . . . ? C31 C36 P2 C37 -141.1(2) . . . . ? C35 C36 P2 C37 35.6(3) . . . . ? C31 C36 P2 C40 104.5(2) . . . . ? C35 C36 P2 C40 -78.7(3) . . . . ? C31 C36 P2 Pt1 -12.4(2) . . . . ? C35 C36 P2 Pt1 164.3(2) . . . . ? C42 C40 P2 C37 -52.7(3) . . . . ? C41 C40 P2 C37 -177.8(2) . . . . ? C42 C40 P2 C36 60.1(3) . . . . ? C41 C40 P2 C36 -65.0(3) . . . . ? C42 C40 P2 Pt1 168.4(2) . . . . ? C41 C40 P2 Pt1 43.2(3) . . . . ? C43 C44 Pt1 P2 -61.9(3) . . . . ? C45 C44 Pt1 P2 115.3(2) . . . . ? C43 C44 Pt1 P1 105.4(3) . . . . ? C45 C44 Pt1 P1 -77.3(2) . . . . ? C31 N1 Pt1 P2 -11.6(2) . . . . ? C29 N1 Pt1 P2 126.63(18) . . . . ? C31 N1 Pt1 P1 -176.8(2) . . . . ? C29 N1 Pt1 P1 -38.62(17) . . . . ? C37 P2 Pt1 C44 -43.02(16) . . . . ? C36 P2 Pt1 C44 -159.79(13) . . . . ? C40 P2 Pt1 C44 89.03(14) . . . . ? C37 P2 Pt1 N1 128.09(15) . . . . ? C36 P2 Pt1 N1 11.31(12) . . . . ? C40 P2 Pt1 N1 -99.87(13) . . . . ? C37 P2 Pt1 P1 178.91(14) . . . . ? C36 P2 Pt1 P1 62.14(13) . . . . ? C40 P2 Pt1 P1 -49.04(15) . . . . ? C49 P1 Pt1 C44 77.82(15) . . . . ? C52 P1 Pt1 C44 -54.65(15) . . . . ? C28 P1 Pt1 C44 -163.82(13) . . . . ? C49 P1 Pt1 N1 -92.69(14) . . . . ? C52 P1 Pt1 N1 134.84(14) . . . . ? C28 P1 Pt1 N1 25.66(12) . . . . ? C49 P1 Pt1 P2 -143.68(13) . . . . ? C52 P1 Pt1 P2 83.85(15) . . . . ? C28 P1 Pt1 P2 -25.33(14) . . . . ? _diffrn_measured_fraction_theta_max 0.991 _diffrn_reflns_theta_full 27.50 _diffrn_measured_fraction_theta_full 0.991 _refine_diff_density_max 3.437 _refine_diff_density_min -1.662 _refine_diff_density_rms 0.095 data_new4 _database_code_depnum_ccdc_archive 'CCDC 898631' #TrackingRef 'web_deposit_cif_file_2_OlegV.Ozerov_1346196088.oz327b_jcd.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C25 H35 B11 Cl12 F2 N P2 Pt' _chemical_formula_weight 1188.88 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' B B 0.0013 0.0007 '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' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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 P2(1)/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 19.446(20) _cell_length_b 15.820(16) _cell_length_c 15.256(15) _cell_angle_alpha 90.00 _cell_angle_beta 107.781(14) _cell_angle_gamma 90.00 _cell_volume 4469(8) _cell_formula_units_Z 4 _cell_measurement_temperature 110(2) _cell_measurement_reflns_used 912 _cell_measurement_theta_min 2.20 _cell_measurement_theta_max 19.57 _exptl_crystal_description block _exptl_crystal_colour blue _exptl_crystal_size_max 0.60 _exptl_crystal_size_mid 0.08 _exptl_crystal_size_min 0.04 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.767 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2308 _exptl_absorpt_coefficient_mu 3.961 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.1997 _exptl_absorpt_correction_T_max 0.8576 _exptl_absorpt_process_details 'SADABS; (Sheldrick, 2006)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 110(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 'APEX II' _diffrn_measurement_method 'omega scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 10260 _diffrn_reflns_av_R_equivalents 0.0995 _diffrn_reflns_av_sigmaI/netI 0.0959 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 25 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 0 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 1.69 _diffrn_reflns_theta_max 27.50 _diffrn_standards_number 0 _diffrn_standards_interval_count 0 _diffrn_standards_decay_% 0 _reflns_number_total 10260 _reflns_number_gt 7022 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'APEX-II (BRUKER-NONIUS, 2003)' _computing_cell_refinement ; APEX-II(BRUKER-NONIUS, 2003) ; _computing_data_reduction APEX-II _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_molecular_graphics Olex2 _computing_publication_material 'Bruker SHELXTL' _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. Crystal used had a two component twin, identified by CELL_NOW. APEX2 was used to integrate the data including both the orientation matrices. Twinabs was used to correct for absorption and other systematic errors, and also to separate the major component. The latter was used for both structure solution as well as least squares refinement. ; _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^)+(0.0433P)^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 10260 _refine_ls_number_parameters 495 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0941 _refine_ls_R_factor_gt 0.0556 _refine_ls_wR_factor_ref 0.1198 _refine_ls_wR_factor_gt 0.1086 _refine_ls_goodness_of_fit_ref 1.071 _refine_ls_restrained_S_all 1.071 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Pt1 Pt 0.275579(14) 0.223938(17) 0.507626(18) 0.01622(8) Uani 1 1 d . . . P1 P 0.16212(9) 0.17908(12) 0.49960(12) 0.0182(4) Uani 1 1 d . . . P2 P 0.37979(9) 0.26749(12) 0.47914(12) 0.0186(4) Uani 1 1 d . . . C1 C 0.1974(4) 0.1141(4) 0.3529(5) 0.0184(15) Uani 1 1 d . . . C2 C 0.1423(4) 0.1164(4) 0.3949(5) 0.0203(15) Uani 1 1 d . . . C3 C 0.0759(4) 0.0800(4) 0.3518(5) 0.0204(15) Uani 1 1 d . . . H3 H 0.0382 0.0825 0.3792 0.025 Uiso 1 1 calc R . . C4 C 0.0652(4) 0.0402(5) 0.2687(5) 0.0264(17) Uani 1 1 d . . . C5 C 0.1161(4) 0.0409(4) 0.2226(5) 0.0210(16) Uani 1 1 d . . . H5 H 0.1062 0.0157 0.1635 0.025 Uiso 1 1 calc R . . C6 C 0.1814(4) 0.0788(4) 0.2637(5) 0.0194(15) Uani 1 1 d . . . H6 H 0.2164 0.0815 0.2319 0.023 Uiso 1 1 calc R . . C7 C 0.3283(4) 0.1232(4) 0.3796(5) 0.0173(15) Uani 1 1 d . . . C8 C 0.3352(4) 0.0442(4) 0.3420(5) 0.0229(16) Uani 1 1 d . . . H8 H 0.2962 0.0052 0.3288 0.028 Uiso 1 1 calc R . . C9 C 0.3985(4) 0.0226(5) 0.3239(5) 0.0262(17) Uani 1 1 d . . . H9 H 0.4030 -0.0302 0.2965 0.031 Uiso 1 1 calc R . . C10 C 0.4549(4) 0.0795(5) 0.3464(5) 0.0264(17) Uani 1 1 d . . . C11 C 0.4513(4) 0.1568(4) 0.3883(5) 0.0211(16) Uani 1 1 d . . . H11 H 0.4916 0.1940 0.4039 0.025 Uiso 1 1 calc R . . C12 C 0.3877(4) 0.1789(4) 0.4071(5) 0.0183(15) Uani 1 1 d . . . C13 C 0.1553(4) 0.1128(5) 0.5937(5) 0.0246(17) Uani 1 1 d . . . H13 H 0.1693 0.1487 0.6503 0.030 Uiso 1 1 calc R . . C14 C 0.0784(5) 0.0776(6) 0.5835(6) 0.053(3) Uani 1 1 d . . . H14A H 0.0665 0.0332 0.5364 0.079 Uiso 1 1 calc R . . H14B H 0.0430 0.1234 0.5653 0.079 Uiso 1 1 calc R . . H14C H 0.0774 0.0539 0.6425 0.079 Uiso 1 1 calc R . . C15 C 0.2107(4) 0.0425(5) 0.6093(5) 0.0291(18) Uani 1 1 d . . . H15A H 0.2591 0.0671 0.6228 0.044 Uiso 1 1 calc R . . H15B H 0.2005 0.0075 0.5538 0.044 Uiso 1 1 calc R . . H15C H 0.2083 0.0076 0.6613 0.044 Uiso 1 1 calc R . . C16 C 0.0911(4) 0.2597(5) 0.4734(5) 0.0261(17) Uani 1 1 d . . . H16 H 0.0435 0.2298 0.4536 0.031 Uiso 1 1 calc R . . C17 C 0.0949(4) 0.3166(5) 0.3942(6) 0.035(2) Uani 1 1 d . . . H17A H 0.0932 0.2817 0.3404 0.053 Uiso 1 1 calc R . . H17B H 0.1401 0.3488 0.4128 0.053 Uiso 1 1 calc R . . H17C H 0.0539 0.3557 0.3785 0.053 Uiso 1 1 calc R . . C18 C 0.0941(4) 0.3119(6) 0.5590(6) 0.039(2) Uani 1 1 d . . . H18A H 0.1403 0.3421 0.5798 0.059 Uiso 1 1 calc R . . H18B H 0.0897 0.2742 0.6080 0.059 Uiso 1 1 calc R . . H18C H 0.0544 0.3527 0.5439 0.059 Uiso 1 1 calc R . . C19 C 0.4664(4) 0.2744(6) 0.5700(5) 0.033(2) Uani 1 1 d . . . H19 H 0.5056 0.2764 0.5403 0.040 Uiso 1 1 calc R . . C20 C 0.4704(4) 0.3556(6) 0.6260(6) 0.049(3) Uani 1 1 d . . . H20A H 0.4291 0.3578 0.6502 0.073 Uiso 1 1 calc R . . H20B H 0.4691 0.4047 0.5864 0.073 Uiso 1 1 calc R . . H20C H 0.5154 0.3561 0.6773 0.073 Uiso 1 1 calc R . . C21 C 0.4775(5) 0.1954(6) 0.6298(6) 0.050(3) Uani 1 1 d . . . H21A H 0.4760 0.1453 0.5915 0.074 Uiso 1 1 calc R . . H21B H 0.4391 0.1916 0.6589 0.074 Uiso 1 1 calc R . . H21C H 0.5245 0.1984 0.6775 0.074 Uiso 1 1 calc R . . C22 C 0.3681(4) 0.3646(4) 0.4113(5) 0.0240(17) Uani 1 1 d . . . H22 H 0.3656 0.4123 0.4533 0.029 Uiso 1 1 calc R . . C23 C 0.4309(5) 0.3832(5) 0.3738(6) 0.045(2) Uani 1 1 d . . . H23A H 0.4390 0.3344 0.3387 0.067 Uiso 1 1 calc R . . H23B H 0.4746 0.3944 0.4251 0.067 Uiso 1 1 calc R . . H23C H 0.4193 0.4329 0.3335 0.067 Uiso 1 1 calc R . . C24 C 0.2949(4) 0.3622(5) 0.3339(5) 0.0293(18) Uani 1 1 d . . . H24A H 0.2556 0.3552 0.3612 0.044 Uiso 1 1 calc R . . H24B H 0.2946 0.3147 0.2926 0.044 Uiso 1 1 calc R . . H24C H 0.2881 0.4152 0.2990 0.044 Uiso 1 1 calc R . . Cl1 Cl 0.29268(9) 0.29455(10) 0.64415(11) 0.0208(4) Uani 1 1 d . . . F1 F 0.0025(2) -0.0005(3) 0.2299(3) 0.0335(11) Uani 1 1 d . . . F2 F 0.5173(2) 0.0590(3) 0.3303(3) 0.0340(11) Uani 1 1 d . . . N1 N 0.2653(3) 0.1484(3) 0.4003(4) 0.0174(12) Uani 1 1 d . . . B1 B 0.2877(4) 0.6438(5) 0.4386(6) 0.0225(19) Uani 1 1 d . . . B2 B 0.1943(4) 0.6180(5) 0.3987(5) 0.0195(17) Uani 1 1 d . . . B3 B 0.1430(4) 0.7125(5) 0.4030(5) 0.0171(17) Uani 1 1 d . . . B4 B 0.2066(4) 0.7955(5) 0.4482(6) 0.0179(17) Uani 1 1 d . . . B5 B 0.2950(4) 0.7536(5) 0.4692(6) 0.0169(17) Uani 1 1 d . . . B6 B 0.2450(4) 0.5905(5) 0.5121(5) 0.0194(18) Uani 1 1 d . . . B7 B 0.1568(4) 0.6323(5) 0.4906(5) 0.0171(17) Uani 1 1 d . . . B8 B 0.1633(4) 0.7420(5) 0.5203(6) 0.0196(18) Uani 1 1 d . . . B9 B 0.2585(4) 0.7681(5) 0.5632(6) 0.0209(18) Uani 1 1 d . . . B10 B 0.3090(4) 0.6749(5) 0.5562(6) 0.0214(18) Uani 1 1 d . . . B11 B 0.2277(4) 0.6675(5) 0.5879(5) 0.0178(17) Uani 1 1 d . . . C25 C 0.2242(3) 0.7160(4) 0.3811(5) 0.0156(14) Uani 1 1 d . . . H25 H 0.2227 0.7324 0.3091 0.019 Uiso 1 1 calc R . . Cl2 Cl 0.34985(9) 0.59732(11) 0.38979(12) 0.0246(4) Uani 1 1 d . . . Cl3 Cl 0.16090(10) 0.54627(11) 0.30629(12) 0.0269(4) Uani 1 1 d . . . Cl4 Cl 0.06040(9) 0.73311(12) 0.31644(12) 0.0271(4) Uani 1 1 d . . . Cl5 Cl 0.18601(10) 0.89903(11) 0.40445(12) 0.0252(4) Uani 1 1 d . . . Cl6 Cl 0.36308(9) 0.81739(12) 0.44859(13) 0.0264(4) Uani 1 1 d . . . Cl7 Cl 0.26545(10) 0.48378(11) 0.54639(12) 0.0237(4) Uani 1 1 d . . . Cl8 Cl 0.08267(9) 0.56824(12) 0.49753(12) 0.0260(4) Uani 1 1 d . . . Cl9 Cl 0.10132(10) 0.79600(12) 0.56560(13) 0.0287(4) Uani 1 1 d . . . Cl10 Cl 0.29444(10) 0.84487(11) 0.64993(13) 0.0290(4) Uani 1 1 d . . . Cl11 Cl 0.39566(9) 0.65483(12) 0.63617(12) 0.0268(4) Uani 1 1 d . . . Cl12 Cl 0.22925(10) 0.63927(11) 0.70126(12) 0.0253(4) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Pt1 0.01552(13) 0.01727(14) 0.01671(14) -0.00069(12) 0.00616(10) 0.00023(12) P1 0.0158(9) 0.0194(10) 0.0197(10) 0.0000(8) 0.0061(7) -0.0002(7) P2 0.0153(9) 0.0254(10) 0.0154(9) -0.0036(8) 0.0051(7) -0.0010(8) C1 0.020(4) 0.017(4) 0.017(4) -0.003(3) 0.003(3) -0.001(3) C2 0.023(4) 0.018(4) 0.020(4) -0.003(3) 0.009(3) 0.000(3) C3 0.017(4) 0.021(4) 0.022(4) 0.004(3) 0.004(3) 0.000(3) C4 0.015(4) 0.024(4) 0.035(5) 0.002(3) 0.000(3) -0.004(3) C5 0.021(4) 0.025(4) 0.013(4) -0.002(3) 0.001(3) -0.002(3) C6 0.025(4) 0.019(4) 0.017(4) 0.001(3) 0.010(3) 0.003(3) C7 0.020(4) 0.020(4) 0.015(4) 0.004(3) 0.009(3) 0.005(3) C8 0.031(4) 0.016(4) 0.023(4) -0.003(3) 0.010(3) -0.002(3) C9 0.028(4) 0.019(4) 0.034(5) -0.004(3) 0.014(4) 0.005(3) C10 0.024(4) 0.031(4) 0.024(4) 0.003(3) 0.008(3) 0.014(3) C11 0.024(4) 0.021(4) 0.021(4) 0.004(3) 0.012(3) 0.001(3) C12 0.020(4) 0.019(4) 0.017(4) 0.004(3) 0.007(3) 0.004(3) C13 0.025(4) 0.036(5) 0.014(4) -0.007(3) 0.009(3) -0.008(3) C14 0.041(5) 0.071(7) 0.049(6) 0.028(5) 0.016(5) -0.016(5) C15 0.041(5) 0.028(4) 0.020(4) 0.002(3) 0.012(4) 0.004(4) C16 0.018(4) 0.036(5) 0.024(4) 0.001(3) 0.005(3) 0.006(3) C17 0.033(5) 0.028(4) 0.041(5) 0.005(4) 0.006(4) 0.012(4) C18 0.032(5) 0.047(5) 0.039(5) -0.014(4) 0.011(4) 0.011(4) C19 0.016(4) 0.066(6) 0.016(4) 0.001(4) 0.001(3) -0.003(4) C20 0.028(5) 0.085(8) 0.039(5) -0.027(5) 0.019(4) -0.024(5) C21 0.029(5) 0.086(8) 0.033(5) 0.016(5) 0.007(4) 0.012(5) C22 0.029(4) 0.020(4) 0.026(4) -0.004(3) 0.013(3) -0.006(3) C23 0.070(7) 0.031(5) 0.053(6) 0.002(4) 0.049(5) 0.002(5) C24 0.035(4) 0.026(4) 0.026(4) 0.013(3) 0.008(4) 0.011(3) Cl1 0.0250(9) 0.0223(9) 0.0174(9) -0.0030(7) 0.0099(7) 0.0015(7) F1 0.024(2) 0.037(3) 0.036(3) -0.009(2) 0.003(2) -0.0072(19) F2 0.025(2) 0.042(3) 0.039(3) -0.003(2) 0.016(2) 0.010(2) N1 0.019(3) 0.013(3) 0.021(3) -0.003(2) 0.006(2) -0.002(2) B1 0.022(4) 0.019(4) 0.028(5) 0.002(4) 0.011(4) 0.004(3) B2 0.021(4) 0.022(4) 0.016(4) 0.003(3) 0.006(3) 0.001(3) B3 0.021(4) 0.022(4) 0.011(4) 0.000(3) 0.007(3) 0.003(3) B4 0.019(4) 0.020(4) 0.016(4) 0.000(3) 0.009(3) 0.006(3) B5 0.016(4) 0.018(4) 0.018(4) 0.001(3) 0.007(3) 0.001(3) B6 0.022(4) 0.022(4) 0.015(4) 0.008(3) 0.008(3) 0.007(3) B7 0.022(4) 0.018(4) 0.013(4) -0.001(3) 0.008(3) -0.003(3) B8 0.025(4) 0.011(4) 0.020(4) 0.009(3) 0.002(3) 0.010(3) B9 0.020(4) 0.020(4) 0.023(4) 0.003(4) 0.008(3) 0.002(3) B10 0.019(4) 0.018(4) 0.025(5) 0.006(4) 0.003(4) 0.006(3) B11 0.017(4) 0.018(4) 0.019(4) 0.003(3) 0.006(3) 0.001(3) C25 0.011(3) 0.014(3) 0.022(4) -0.001(3) 0.006(3) -0.004(3) Cl2 0.0249(9) 0.0262(10) 0.0269(10) 0.0001(8) 0.0145(8) 0.0046(7) Cl3 0.0296(10) 0.0265(10) 0.0230(10) -0.0062(8) 0.0056(8) -0.0055(8) Cl4 0.0189(9) 0.0341(11) 0.0239(9) 0.0048(8) 0.0000(7) 0.0025(8) Cl5 0.0342(10) 0.0187(9) 0.0229(9) 0.0037(7) 0.0091(8) 0.0065(8) Cl6 0.0212(9) 0.0267(10) 0.0320(11) 0.0065(8) 0.0091(8) -0.0052(8) Cl7 0.0305(10) 0.0174(9) 0.0255(10) 0.0038(7) 0.0120(8) 0.0032(7) Cl8 0.0225(9) 0.0305(10) 0.0259(10) 0.0038(8) 0.0087(8) -0.0034(8) Cl9 0.0306(10) 0.0288(11) 0.0309(11) -0.0014(8) 0.0155(8) 0.0079(8) Cl10 0.0360(11) 0.0244(10) 0.0236(10) -0.0052(8) 0.0047(8) -0.0006(8) Cl11 0.0188(9) 0.0327(11) 0.0248(10) 0.0042(8) 0.0005(7) 0.0022(8) Cl12 0.0358(10) 0.0240(10) 0.0179(9) 0.0023(7) 0.0110(8) 0.0022(8) _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 N1 1.987(6) . ? Pt1 P1 2.285(3) . ? Pt1 Cl1 2.296(2) . ? Pt1 P2 2.304(3) . ? P1 C13 1.815(7) . ? P1 C2 1.819(7) . ? P1 C16 1.832(7) . ? P2 C12 1.817(7) . ? P2 C22 1.828(7) . ? P2 C19 1.829(7) . ? C1 N1 1.407(8) . ? C1 C2 1.407(9) . ? C1 C6 1.414(9) . ? C2 C3 1.383(9) . ? C3 C4 1.372(10) . ? C3 H3 0.9500 . ? C4 F1 1.346(8) . ? C4 C5 1.379(10) . ? C5 C6 1.370(9) . ? C5 H5 0.9500 . ? C6 H6 0.9500 . ? C7 C8 1.398(9) . ? C7 C12 1.412(9) . ? C7 N1 1.413(8) . ? C8 C9 1.385(9) . ? C8 H8 0.9500 . ? C9 C10 1.378(10) . ? C9 H9 0.9500 . ? C10 F2 1.349(8) . ? C10 C11 1.392(10) . ? C11 C12 1.396(9) . ? C11 H11 0.9500 . ? C13 C15 1.514(10) . ? C13 C14 1.560(10) . ? 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 1.528(10) . ? C16 C18 1.530(10) . ? 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 1.523(12) . ? C19 C20 1.532(11) . ? 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 1.528(10) . ? C22 C24 1.547(10) . ? 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 . ? B1 C25 1.714(10) . ? B1 Cl2 1.762(8) . ? B1 B2 1.779(11) . ? B1 B10 1.782(12) . ? B1 B5 1.793(11) . ? B1 B6 1.796(11) . ? B2 C25 1.706(10) . ? B2 B6 1.765(11) . ? B2 Cl3 1.772(8) . ? B2 B7 1.781(11) . ? B2 B3 1.808(11) . ? B3 C25 1.712(10) . ? B3 Cl4 1.770(8) . ? B3 B8 1.774(11) . ? B3 B4 1.792(11) . ? B3 B7 1.803(11) . ? B4 C25 1.721(10) . ? B4 Cl5 1.767(8) . ? B4 B5 1.779(11) . ? B4 B8 1.788(11) . ? B4 B9 1.790(12) . ? B5 C25 1.710(10) . ? B5 Cl6 1.767(8) . ? B5 B10 1.779(11) . ? B5 B9 1.799(11) . ? B6 B7 1.773(11) . ? B6 Cl7 1.776(8) . ? B6 B11 1.781(11) . ? B6 B10 1.809(12) . ? B7 B11 1.779(11) . ? B7 B8 1.789(11) . ? B7 Cl8 1.791(8) . ? B8 Cl9 1.780(8) . ? B8 B11 1.798(11) . ? B8 B9 1.812(12) . ? B9 Cl10 1.775(9) . ? B9 B11 1.780(11) . ? B9 B10 1.792(11) . ? B10 Cl11 1.782(8) . ? B10 B11 1.793(11) . ? B11 Cl12 1.777(8) . ? C25 H25 1.1200 . ? 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 N1 Pt1 P1 85.20(16) . . ? N1 Pt1 Cl1 171.92(16) . . ? P1 Pt1 Cl1 93.99(7) . . ? N1 Pt1 P2 84.13(16) . . ? P1 Pt1 P2 166.72(7) . . ? Cl1 Pt1 P2 97.67(7) . . ? C13 P1 C2 109.4(3) . . ? C13 P1 C16 110.0(3) . . ? C2 P1 C16 104.1(3) . . ? C13 P1 Pt1 116.1(2) . . ? C2 P1 Pt1 99.1(2) . . ? C16 P1 Pt1 116.6(3) . . ? C12 P2 C22 109.0(3) . . ? C12 P2 C19 106.0(3) . . ? C22 P2 C19 107.8(4) . . ? C12 P2 Pt1 97.2(2) . . ? C22 P2 Pt1 113.2(2) . . ? C19 P2 Pt1 122.3(3) . . ? N1 C1 C2 118.8(6) . . ? N1 C1 C6 122.9(6) . . ? C2 C1 C6 118.3(6) . . ? C3 C2 C1 120.2(6) . . ? C3 C2 P1 124.2(5) . . ? C1 C2 P1 115.3(5) . . ? C4 C3 C2 119.1(7) . . ? C4 C3 H3 120.5 . . ? C2 C3 H3 120.5 . . ? F1 C4 C3 119.2(7) . . ? F1 C4 C5 118.3(7) . . ? C3 C4 C5 122.5(6) . . ? C6 C5 C4 118.6(7) . . ? C6 C5 H5 120.7 . . ? C4 C5 H5 120.7 . . ? C5 C6 C1 120.9(6) . . ? C5 C6 H6 119.6 . . ? C1 C6 H6 119.6 . . ? C8 C7 C12 120.4(6) . . ? C8 C7 N1 122.9(6) . . ? C12 C7 N1 116.4(6) . . ? C9 C8 C7 120.4(7) . . ? C9 C8 H8 119.8 . . ? C7 C8 H8 119.8 . . ? C10 C9 C8 118.5(7) . . ? C10 C9 H9 120.8 . . ? C8 C9 H9 120.8 . . ? F2 C10 C9 119.3(7) . . ? F2 C10 C11 117.9(7) . . ? C9 C10 C11 122.8(7) . . ? C10 C11 C12 119.0(7) . . ? C10 C11 H11 120.5 . . ? C12 C11 H11 120.5 . . ? C11 C12 C7 118.6(6) . . ? C11 C12 P2 124.2(5) . . ? C7 C12 P2 116.6(5) . . ? C15 C13 C14 111.6(7) . . ? C15 C13 P1 109.2(5) . . ? C14 C13 P1 115.3(5) . . ? C15 C13 H13 106.8 . . ? C14 C13 H13 106.8 . . ? P1 C13 H13 106.8 . . ? 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 111.0(7) . . ? C17 C16 P1 111.5(5) . . ? C18 C16 P1 111.1(5) . . ? C17 C16 H16 107.7 . . ? C18 C16 H16 107.7 . . ? P1 C16 H16 107.7 . . ? 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 112.3(7) . . ? C21 C19 P2 109.5(6) . . ? C20 C19 P2 110.5(6) . . ? C21 C19 H19 108.1 . . ? C20 C19 H19 108.1 . . ? P2 C19 H19 108.1 . . ? 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 111.9(7) . . ? C23 C22 P2 113.5(5) . . ? C24 C22 P2 109.7(5) . . ? C23 C22 H22 107.1 . . ? C24 C22 H22 107.1 . . ? P2 C22 H22 107.1 . . ? 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 . . ? C1 N1 C7 121.2(6) . . ? C1 N1 Pt1 119.9(4) . . ? C7 N1 Pt1 118.6(4) . . ? C25 B1 Cl2 122.8(6) . . ? C25 B1 B2 58.5(4) . . ? Cl2 B1 B2 121.3(6) . . ? C25 B1 B10 103.9(5) . . ? Cl2 B1 B10 124.2(5) . . ? B2 B1 B10 107.9(6) . . ? C25 B1 B5 58.3(4) . . ? Cl2 B1 B5 120.3(5) . . ? B2 B1 B5 107.6(6) . . ? B10 B1 B5 59.7(5) . . ? C25 B1 B6 103.6(5) . . ? Cl2 B1 B6 125.1(5) . . ? B2 B1 B6 59.2(4) . . ? B10 B1 B6 60.7(5) . . ? B5 B1 B6 107.9(6) . . ? C25 B2 B6 105.2(6) . . ? C25 B2 Cl3 121.1(5) . . ? B6 B2 Cl3 125.6(5) . . ? C25 B2 B1 58.9(4) . . ? B6 B2 B1 60.9(5) . . ? Cl3 B2 B1 120.5(5) . . ? C25 B2 B7 104.5(5) . . ? B6 B2 B7 60.0(4) . . ? Cl3 B2 B7 124.7(5) . . ? B1 B2 B7 108.8(6) . . ? C25 B2 B3 58.2(4) . . ? B6 B2 B3 108.5(5) . . ? Cl3 B2 B3 119.1(5) . . ? B1 B2 B3 108.4(6) . . ? B7 B2 B3 60.3(4) . . ? C25 B3 Cl4 122.0(5) . . ? C25 B3 B8 104.7(5) . . ? Cl4 B3 B8 125.1(5) . . ? C25 B3 B4 58.8(4) . . ? Cl4 B3 B4 121.0(5) . . ? B8 B3 B4 60.2(4) . . ? C25 B3 B7 103.3(5) . . ? Cl4 B3 B7 125.3(5) . . ? B8 B3 B7 60.0(4) . . ? B4 B3 B7 107.5(5) . . ? C25 B3 B2 57.9(4) . . ? Cl4 B3 B2 120.7(5) . . ? B8 B3 B2 107.4(5) . . ? B4 B3 B2 107.2(5) . . ? B7 B3 B2 59.1(4) . . ? C25 B4 Cl5 121.0(5) . . ? C25 B4 B5 58.5(4) . . ? Cl5 B4 B5 120.6(5) . . ? C25 B4 B8 103.7(5) . . ? Cl5 B4 B8 125.1(5) . . ? B5 B4 B8 108.9(5) . . ? C25 B4 B9 104.5(5) . . ? Cl5 B4 B9 126.2(5) . . ? B5 B4 B9 60.5(4) . . ? B8 B4 B9 60.9(4) . . ? C25 B4 B3 58.3(4) . . ? Cl5 B4 B3 118.9(5) . . ? B5 B4 B3 108.2(5) . . ? B8 B4 B3 59.4(4) . . ? B9 B4 B3 108.4(5) . . ? C25 B5 Cl6 121.7(5) . . ? C25 B5 B10 104.2(5) . . ? Cl6 B5 B10 125.5(5) . . ? C25 B5 B4 59.1(4) . . ? Cl6 B5 B4 119.4(5) . . ? B10 B5 B4 108.3(6) . . ? C25 B5 B1 58.5(4) . . ? Cl6 B5 B1 120.7(5) . . ? B10 B5 B1 59.9(5) . . ? B4 B5 B1 108.6(5) . . ? C25 B5 B9 104.6(5) . . ? Cl6 B5 B9 124.7(5) . . ? B10 B5 B9 60.1(5) . . ? B4 B5 B9 60.0(4) . . ? B1 B5 B9 108.2(5) . . ? B2 B6 B7 60.5(4) . . ? B2 B6 Cl7 122.1(5) . . ? B7 B6 Cl7 121.7(5) . . ? B2 B6 B11 107.9(5) . . ? B7 B6 B11 60.1(4) . . ? Cl7 B6 B11 121.9(5) . . ? B2 B6 B1 59.9(4) . . ? B7 B6 B1 108.4(5) . . ? Cl7 B6 B1 121.7(5) . . ? B11 B6 B1 107.4(6) . . ? B2 B6 B10 107.3(5) . . ? B7 B6 B10 108.1(6) . . ? Cl7 B6 B10 121.7(5) . . ? B11 B6 B10 59.9(4) . . ? B1 B6 B10 59.3(5) . . ? B6 B7 B11 60.2(5) . . ? B6 B7 B2 59.5(4) . . ? B11 B7 B2 107.3(6) . . ? B6 B7 B8 109.0(6) . . ? B11 B7 B8 60.5(4) . . ? B2 B7 B8 107.9(5) . . ? B6 B7 Cl8 121.9(5) . . ? B11 B7 Cl8 124.1(5) . . ? B2 B7 Cl8 120.3(5) . . ? B8 B7 Cl8 122.0(5) . . ? B6 B7 B3 108.4(5) . . ? B11 B7 B3 107.5(5) . . ? B2 B7 B3 60.6(4) . . ? B8 B7 B3 59.2(4) . . ? Cl8 B7 B3 120.1(5) . . ? B3 B8 Cl9 123.4(5) . . ? B3 B8 B4 60.4(5) . . ? Cl9 B8 B4 120.9(5) . . ? B3 B8 B7 60.8(4) . . ? Cl9 B8 B7 124.0(5) . . ? B4 B8 B7 108.3(6) . . ? B3 B8 B11 107.9(5) . . ? Cl9 B8 B11 121.8(5) . . ? B4 B8 B11 106.7(5) . . ? B7 B8 B11 59.5(4) . . ? B3 B8 B9 108.2(6) . . ? Cl9 B8 B9 119.2(5) . . ? B4 B8 B9 59.6(5) . . ? B7 B8 B9 107.3(5) . . ? B11 B8 B9 59.1(4) . . ? Cl10 B9 B11 122.4(5) . . ? Cl10 B9 B4 122.7(5) . . ? B11 B9 B4 107.4(6) . . ? Cl10 B9 B10 120.6(5) . . ? B11 B9 B10 60.2(4) . . ? B4 B9 B10 107.2(6) . . ? Cl10 B9 B5 121.3(5) . . ? B11 B9 B5 107.2(6) . . ? B4 B9 B5 59.4(4) . . ? B10 B9 B5 59.4(4) . . ? Cl10 B9 B8 123.5(5) . . ? B11 B9 B8 60.1(4) . . ? B4 B9 B8 59.5(4) . . ? B10 B9 B8 108.0(6) . . ? B5 B9 B8 106.9(6) . . ? B5 B10 Cl11 122.1(5) . . ? B5 B10 B1 60.5(5) . . ? Cl11 B10 B1 121.3(5) . . ? B5 B10 B9 60.5(4) . . ? Cl11 B10 B9 121.8(6) . . ? B1 B10 B9 108.9(5) . . ? B5 B10 B11 107.5(5) . . ? Cl11 B10 B11 122.1(5) . . ? B1 B10 B11 107.5(6) . . ? B9 B10 B11 59.6(4) . . ? B5 B10 B6 108.0(6) . . ? Cl11 B10 B6 121.5(5) . . ? B1 B10 B6 60.0(4) . . ? B9 B10 B6 107.6(6) . . ? B11 B10 B6 59.3(4) . . ? Cl12 B11 B7 120.8(5) . . ? Cl12 B11 B9 121.6(5) . . ? B7 B11 B9 109.2(6) . . ? Cl12 B11 B6 120.6(5) . . ? B7 B11 B6 59.7(4) . . ? B9 B11 B6 109.4(6) . . ? Cl12 B11 B10 121.6(5) . . ? B7 B11 B10 108.5(6) . . ? B9 B11 B10 60.2(4) . . ? B6 B11 B10 60.8(5) . . ? Cl12 B11 B8 121.7(5) . . ? B7 B11 B8 60.0(4) . . ? B9 B11 B8 60.9(4) . . ? B6 B11 B8 108.2(6) . . ? B10 B11 B8 108.6(5) . . ? B2 C25 B5 115.1(5) . . ? B2 C25 B3 63.9(4) . . ? B5 C25 B3 115.3(5) . . ? B2 C25 B1 62.7(4) . . ? B5 C25 B1 63.1(4) . . ? B3 C25 B1 116.2(5) . . ? B2 C25 B4 115.5(5) . . ? B5 C25 B4 62.4(4) . . ? B3 C25 B4 62.9(4) . . ? B1 C25 B4 115.2(6) . . ? B2 C25 H25 117.2 . . ? B5 C25 H25 117.7 . . ? B3 C25 H25 116.6 . . ? B1 C25 H25 117.1 . . ? B4 C25 H25 117.6 . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag N1 Pt1 P1 C13 111.4(3) . . . . ? Cl1 Pt1 P1 C13 -60.5(3) . . . . ? P2 Pt1 P1 C13 148.0(4) . . . . ? N1 Pt1 P1 C2 -5.5(3) . . . . ? Cl1 Pt1 P1 C2 -177.4(2) . . . . ? P2 Pt1 P1 C2 31.1(4) . . . . ? N1 Pt1 P1 C16 -116.4(3) . . . . ? Cl1 Pt1 P1 C16 71.6(3) . . . . ? P2 Pt1 P1 C16 -79.9(4) . . . . ? N1 Pt1 P2 C12 -16.9(3) . . . . ? P1 Pt1 P2 C12 -53.6(4) . . . . ? Cl1 Pt1 P2 C12 155.1(2) . . . . ? N1 Pt1 P2 C22 97.3(3) . . . . ? P1 Pt1 P2 C22 60.6(4) . . . . ? Cl1 Pt1 P2 C22 -90.7(3) . . . . ? N1 Pt1 P2 C19 -131.1(4) . . . . ? P1 Pt1 P2 C19 -167.7(4) . . . . ? Cl1 Pt1 P2 C19 41.0(3) . . . . ? N1 C1 C2 C3 -177.3(6) . . . . ? C6 C1 C2 C3 4.1(10) . . . . ? N1 C1 C2 P1 9.2(8) . . . . ? C6 C1 C2 P1 -169.5(5) . . . . ? C13 P1 C2 C3 64.7(7) . . . . ? C16 P1 C2 C3 -52.9(7) . . . . ? Pt1 P1 C2 C3 -173.4(6) . . . . ? C13 P1 C2 C1 -122.1(5) . . . . ? C16 P1 C2 C1 120.4(6) . . . . ? Pt1 P1 C2 C1 -0.2(6) . . . . ? C1 C2 C3 C4 1.4(10) . . . . ? P1 C2 C3 C4 174.4(5) . . . . ? C2 C3 C4 F1 175.3(6) . . . . ? C2 C3 C4 C5 -5.5(11) . . . . ? F1 C4 C5 C6 -177.0(6) . . . . ? C3 C4 C5 C6 3.8(11) . . . . ? C4 C5 C6 C1 2.1(10) . . . . ? N1 C1 C6 C5 175.5(6) . . . . ? C2 C1 C6 C5 -5.9(10) . . . . ? C12 C7 C8 C9 -5.6(10) . . . . ? N1 C7 C8 C9 -179.3(6) . . . . ? C7 C8 C9 C10 2.0(11) . . . . ? C8 C9 C10 F2 179.2(6) . . . . ? C8 C9 C10 C11 1.4(11) . . . . ? F2 C10 C11 C12 -179.0(6) . . . . ? C9 C10 C11 C12 -1.1(11) . . . . ? C10 C11 C12 C7 -2.4(10) . . . . ? C10 C11 C12 P2 168.4(5) . . . . ? C8 C7 C12 C11 5.7(10) . . . . ? N1 C7 C12 C11 179.9(6) . . . . ? C8 C7 C12 P2 -165.8(5) . . . . ? N1 C7 C12 P2 8.4(8) . . . . ? C22 P2 C12 C11 81.0(6) . . . . ? C19 P2 C12 C11 -34.8(7) . . . . ? Pt1 P2 C12 C11 -161.5(5) . . . . ? C22 P2 C12 C7 -108.0(5) . . . . ? C19 P2 C12 C7 136.2(5) . . . . ? Pt1 P2 C12 C7 9.5(5) . . . . ? C2 P1 C13 C15 61.8(6) . . . . ? C16 P1 C13 C15 175.6(5) . . . . ? Pt1 P1 C13 C15 -49.3(6) . . . . ? C2 P1 C13 C14 -64.8(7) . . . . ? C16 P1 C13 C14 49.1(7) . . . . ? Pt1 P1 C13 C14 -175.8(5) . . . . ? C13 P1 C16 C17 -179.8(5) . . . . ? C2 P1 C16 C17 -62.6(6) . . . . ? Pt1 P1 C16 C17 45.4(6) . . . . ? C13 P1 C16 C18 55.9(7) . . . . ? C2 P1 C16 C18 173.0(6) . . . . ? Pt1 P1 C16 C18 -79.0(6) . . . . ? C12 P2 C19 C21 -64.8(6) . . . . ? C22 P2 C19 C21 178.6(6) . . . . ? Pt1 P2 C19 C21 44.8(7) . . . . ? C12 P2 C19 C20 170.9(5) . . . . ? C22 P2 C19 C20 54.3(6) . . . . ? Pt1 P2 C19 C20 -79.5(6) . . . . ? C12 P2 C22 C23 -60.0(6) . . . . ? C19 P2 C22 C23 54.6(6) . . . . ? Pt1 P2 C22 C23 -167.0(5) . . . . ? C12 P2 C22 C24 66.0(6) . . . . ? C19 P2 C22 C24 -179.4(5) . . . . ? Pt1 P2 C22 C24 -41.0(6) . . . . ? C2 C1 N1 C7 157.6(6) . . . . ? C6 C1 N1 C7 -23.9(10) . . . . ? C2 C1 N1 Pt1 -15.6(8) . . . . ? C6 C1 N1 Pt1 163.0(5) . . . . ? C8 C7 N1 C1 -26.3(10) . . . . ? C12 C7 N1 C1 159.7(6) . . . . ? C8 C7 N1 Pt1 146.9(5) . . . . ? C12 C7 N1 Pt1 -27.1(8) . . . . ? P1 Pt1 N1 C1 11.9(5) . . . . ? Cl1 Pt1 N1 C1 96.5(12) . . . . ? P2 Pt1 N1 C1 -160.2(5) . . . . ? P1 Pt1 N1 C7 -161.4(5) . . . . ? Cl1 Pt1 N1 C7 -76.8(13) . . . . ? P2 Pt1 N1 C7 26.5(4) . . . . ? Cl2 B1 B2 C25 -111.7(7) . . . . ? B10 B1 B2 C25 95.7(6) . . . . ? B5 B1 B2 C25 32.7(5) . . . . ? B6 B1 B2 C25 133.4(6) . . . . ? C25 B1 B2 B6 -133.4(6) . . . . ? Cl2 B1 B2 B6 114.9(7) . . . . ? B10 B1 B2 B6 -37.7(5) . . . . ? B5 B1 B2 B6 -100.7(6) . . . . ? C25 B1 B2 Cl3 110.2(6) . . . . ? Cl2 B1 B2 Cl3 -1.5(9) . . . . ? B10 B1 B2 Cl3 -154.1(5) . . . . ? B5 B1 B2 Cl3 142.9(6) . . . . ? B6 B1 B2 Cl3 -116.4(7) . . . . ? C25 B1 B2 B7 -95.9(6) . . . . ? Cl2 B1 B2 B7 152.4(5) . . . . ? B10 B1 B2 B7 -0.2(7) . . . . ? B5 B1 B2 B7 -63.2(7) . . . . ? B6 B1 B2 B7 37.5(5) . . . . ? C25 B1 B2 B3 -31.9(5) . . . . ? Cl2 B1 B2 B3 -143.6(5) . . . . ? B10 B1 B2 B3 63.7(7) . . . . ? B5 B1 B2 B3 0.8(7) . . . . ? B6 B1 B2 B3 101.5(6) . . . . ? B6 B2 B3 C25 96.8(6) . . . . ? Cl3 B2 B3 C25 -110.6(6) . . . . ? B1 B2 B3 C25 32.2(5) . . . . ? B7 B2 B3 C25 133.8(6) . . . . ? C25 B2 B3 Cl4 110.8(6) . . . . ? B6 B2 B3 Cl4 -152.4(5) . . . . ? Cl3 B2 B3 Cl4 0.3(8) . . . . ? B1 B2 B3 Cl4 143.0(5) . . . . ? B7 B2 B3 Cl4 -115.4(6) . . . . ? C25 B2 B3 B8 -96.7(6) . . . . ? B6 B2 B3 B8 0.1(7) . . . . ? Cl3 B2 B3 B8 152.7(5) . . . . ? B1 B2 B3 B8 -64.5(7) . . . . ? B7 B2 B3 B8 37.1(5) . . . . ? C25 B2 B3 B4 -33.3(5) . . . . ? B6 B2 B3 B4 63.5(7) . . . . ? Cl3 B2 B3 B4 -143.9(5) . . . . ? B1 B2 B3 B4 -1.1(7) . . . . ? B7 B2 B3 B4 100.5(6) . . . . ? C25 B2 B3 B7 -133.8(6) . . . . ? B6 B2 B3 B7 -37.0(5) . . . . ? Cl3 B2 B3 B7 115.6(6) . . . . ? B1 B2 B3 B7 -101.6(6) . . . . ? Cl4 B3 B4 C25 -111.0(6) . . . . ? B8 B3 B4 C25 133.5(5) . . . . ? B7 B3 B4 C25 95.2(6) . . . . ? B2 B3 B4 C25 33.0(5) . . . . ? C25 B3 B4 Cl5 110.6(6) . . . . ? Cl4 B3 B4 Cl5 -0.5(8) . . . . ? B8 B3 B4 Cl5 -115.9(6) . . . . ? B7 B3 B4 Cl5 -154.2(5) . . . . ? B2 B3 B4 Cl5 143.5(5) . . . . ? C25 B3 B4 B5 -31.9(5) . . . . ? Cl4 B3 B4 B5 -142.9(5) . . . . ? B8 B3 B4 B5 101.6(6) . . . . ? B7 B3 B4 B5 63.3(7) . . . . ? B2 B3 B4 B5 1.1(7) . . . . ? C25 B3 B4 B8 -133.5(5) . . . . ? Cl4 B3 B4 B8 115.4(6) . . . . ? B7 B3 B4 B8 -38.3(5) . . . . ? B2 B3 B4 B8 -100.5(6) . . . . ? C25 B3 B4 B9 -96.0(6) . . . . ? Cl4 B3 B4 B9 152.9(5) . . . . ? B8 B3 B4 B9 37.5(5) . . . . ? B7 B3 B4 B9 -0.8(7) . . . . ? B2 B3 B4 B9 -63.0(6) . . . . ? Cl5 B4 B5 C25 -109.9(6) . . . . ? B8 B4 B5 C25 94.8(6) . . . . ? B9 B4 B5 C25 133.1(6) . . . . ? B3 B4 B5 C25 31.8(5) . . . . ? C25 B4 B5 Cl6 111.4(6) . . . . ? Cl5 B4 B5 Cl6 1.5(8) . . . . ? B8 B4 B5 Cl6 -153.8(5) . . . . ? B9 B4 B5 Cl6 -115.4(6) . . . . ? B3 B4 B5 Cl6 143.2(5) . . . . ? C25 B4 B5 B10 -95.9(6) . . . . ? Cl5 B4 B5 B10 154.2(5) . . . . ? B8 B4 B5 B10 -1.1(8) . . . . ? B9 B4 B5 B10 37.2(5) . . . . ? B3 B4 B5 B10 -64.1(7) . . . . ? C25 B4 B5 B1 -32.5(5) . . . . ? Cl5 B4 B5 B1 -142.3(6) . . . . ? B8 B4 B5 B1 62.3(7) . . . . ? B9 B4 B5 B1 100.7(6) . . . . ? B3 B4 B5 B1 -0.6(7) . . . . ? C25 B4 B5 B9 -133.1(6) . . . . ? Cl5 B4 B5 B9 117.0(6) . . . . ? B8 B4 B5 B9 -38.4(5) . . . . ? B3 B4 B5 B9 -101.3(6) . . . . ? Cl2 B1 B5 C25 112.1(7) . . . . ? B2 B1 B5 C25 -32.7(5) . . . . ? B10 B1 B5 C25 -133.5(6) . . . . ? B6 B1 B5 C25 -95.2(6) . . . . ? C25 B1 B5 Cl6 -110.6(6) . . . . ? Cl2 B1 B5 Cl6 1.5(9) . . . . ? B2 B1 B5 Cl6 -143.4(5) . . . . ? B10 B1 B5 Cl6 115.9(6) . . . . ? B6 B1 B5 Cl6 154.2(5) . . . . ? C25 B1 B5 B10 133.5(6) . . . . ? Cl2 B1 B5 B10 -114.4(7) . . . . ? B2 B1 B5 B10 100.8(6) . . . . ? B6 B1 B5 B10 38.3(5) . . . . ? C25 B1 B5 B4 32.7(5) . . . . ? Cl2 B1 B5 B4 144.8(6) . . . . ? B2 B1 B5 B4 -0.1(7) . . . . ? B10 B1 B5 B4 -100.8(6) . . . . ? B6 B1 B5 B4 -62.5(7) . . . . ? C25 B1 B5 B9 96.3(6) . . . . ? Cl2 B1 B5 B9 -151.6(5) . . . . ? B2 B1 B5 B9 63.6(7) . . . . ? B10 B1 B5 B9 -37.2(5) . . . . ? B6 B1 B5 B9 1.1(7) . . . . ? C25 B2 B6 B7 98.2(6) . . . . ? Cl3 B2 B6 B7 -113.3(7) . . . . ? B1 B2 B6 B7 138.3(6) . . . . ? B3 B2 B6 B7 37.1(5) . . . . ? C25 B2 B6 Cl7 -150.8(5) . . . . ? Cl3 B2 B6 Cl7 -2.3(9) . . . . ? B1 B2 B6 Cl7 -110.7(6) . . . . ? B7 B2 B6 Cl7 111.0(6) . . . . ? B3 B2 B6 Cl7 148.1(5) . . . . ? C25 B2 B6 B11 60.0(7) . . . . ? Cl3 B2 B6 B11 -151.5(6) . . . . ? B1 B2 B6 B11 100.1(6) . . . . ? B7 B2 B6 B11 -38.2(5) . . . . ? B3 B2 B6 B11 -1.0(7) . . . . ? C25 B2 B6 B1 -40.1(5) . . . . ? Cl3 B2 B6 B1 108.4(7) . . . . ? B7 B2 B6 B1 -138.3(6) . . . . ? B3 B2 B6 B1 -101.2(6) . . . . ? C25 B2 B6 B10 -3.2(7) . . . . ? Cl3 B2 B6 B10 145.3(6) . . . . ? B1 B2 B6 B10 36.9(5) . . . . ? B7 B2 B6 B10 -101.4(6) . . . . ? B3 B2 B6 B10 -64.2(7) . . . . ? C25 B1 B6 B2 39.6(5) . . . . ? Cl2 B1 B6 B2 -108.7(7) . . . . ? B10 B1 B6 B2 138.1(6) . . . . ? B5 B1 B6 B2 100.3(6) . . . . ? C25 B1 B6 B7 2.0(7) . . . . ? Cl2 B1 B6 B7 -146.3(6) . . . . ? B2 B1 B6 B7 -37.6(5) . . . . ? B10 B1 B6 B7 100.5(6) . . . . ? B5 B1 B6 B7 62.7(7) . . . . ? C25 B1 B6 Cl7 150.9(5) . . . . ? Cl2 B1 B6 Cl7 2.6(10) . . . . ? B2 B1 B6 Cl7 111.3(7) . . . . ? B10 B1 B6 Cl7 -110.6(6) . . . . ? B5 B1 B6 Cl7 -148.4(5) . . . . ? C25 B1 B6 B11 -61.5(7) . . . . ? Cl2 B1 B6 B11 150.3(6) . . . . ? B2 B1 B6 B11 -101.0(6) . . . . ? B10 B1 B6 B11 37.1(5) . . . . ? B5 B1 B6 B11 -0.8(7) . . . . ? C25 B1 B6 B10 -98.5(6) . . . . ? Cl2 B1 B6 B10 113.2(7) . . . . ? B2 B1 B6 B10 -138.1(6) . . . . ? B5 B1 B6 B10 -37.9(5) . . . . ? B2 B6 B7 B11 -137.3(6) . . . . ? Cl7 B6 B7 B11 111.2(6) . . . . ? B1 B6 B7 B11 -99.9(6) . . . . ? B10 B6 B7 B11 -37.2(5) . . . . ? Cl7 B6 B7 B2 -111.5(7) . . . . ? B11 B6 B7 B2 137.3(6) . . . . ? B1 B6 B7 B2 37.3(5) . . . . ? B10 B6 B7 B2 100.1(6) . . . . ? B2 B6 B7 B8 -100.1(6) . . . . ? Cl7 B6 B7 B8 148.4(5) . . . . ? B11 B6 B7 B8 37.2(5) . . . . ? B1 B6 B7 B8 -62.7(7) . . . . ? B10 B6 B7 B8 0.0(7) . . . . ? B2 B6 B7 Cl8 108.9(6) . . . . ? Cl7 B6 B7 Cl8 -2.7(9) . . . . ? B11 B6 B7 Cl8 -113.9(6) . . . . ? B1 B6 B7 Cl8 146.2(5) . . . . ? B10 B6 B7 Cl8 -151.1(5) . . . . ? B2 B6 B7 B3 -37.2(5) . . . . ? Cl7 B6 B7 B3 -148.8(5) . . . . ? B11 B6 B7 B3 100.0(6) . . . . ? B1 B6 B7 B3 0.1(7) . . . . ? B10 B6 B7 B3 62.8(7) . . . . ? C25 B2 B7 B6 -99.5(6) . . . . ? Cl3 B2 B7 B6 114.6(7) . . . . ? B1 B2 B7 B6 -37.9(5) . . . . ? B3 B2 B7 B6 -138.8(6) . . . . ? C25 B2 B7 B11 -61.4(6) . . . . ? B6 B2 B7 B11 38.1(5) . . . . ? Cl3 B2 B7 B11 152.7(5) . . . . ? B1 B2 B7 B11 0.2(7) . . . . ? B3 B2 B7 B11 -100.7(6) . . . . ? C25 B2 B7 B8 2.5(7) . . . . ? B6 B2 B7 B8 101.9(6) . . . . ? Cl3 B2 B7 B8 -143.4(6) . . . . ? B1 B2 B7 B8 64.0(7) . . . . ? B3 B2 B7 B8 -36.8(5) . . . . ? C25 B2 B7 Cl8 149.1(5) . . . . ? B6 B2 B7 Cl8 -111.5(6) . . . . ? Cl3 B2 B7 Cl8 3.1(9) . . . . ? B1 B2 B7 Cl8 -149.4(5) . . . . ? B3 B2 B7 Cl8 109.7(6) . . . . ? C25 B2 B7 B3 39.3(5) . . . . ? B6 B2 B7 B3 138.8(6) . . . . ? Cl3 B2 B7 B3 -106.6(7) . . . . ? B1 B2 B7 B3 100.9(6) . . . . ? C25 B3 B7 B6 -2.2(7) . . . . ? Cl4 B3 B7 B6 144.5(6) . . . . ? B8 B3 B7 B6 -101.6(6) . . . . ? B4 B3 B7 B6 -63.2(7) . . . . ? B2 B3 B7 B6 36.8(5) . . . . ? C25 B3 B7 B11 61.5(6) . . . . ? Cl4 B3 B7 B11 -151.9(5) . . . . ? B8 B3 B7 B11 -38.0(5) . . . . ? B4 B3 B7 B11 0.4(7) . . . . ? B2 B3 B7 B11 100.4(6) . . . . ? C25 B3 B7 B2 -38.9(5) . . . . ? Cl4 B3 B7 B2 107.7(6) . . . . ? B8 B3 B7 B2 -138.4(6) . . . . ? B4 B3 B7 B2 -100.0(6) . . . . ? C25 B3 B7 B8 99.4(6) . . . . ? Cl4 B3 B7 B8 -113.9(7) . . . . ? B4 B3 B7 B8 38.4(5) . . . . ? B2 B3 B7 B8 138.4(6) . . . . ? C25 B3 B7 Cl8 -149.0(5) . . . . ? Cl4 B3 B7 Cl8 -2.3(9) . . . . ? B8 B3 B7 Cl8 111.6(6) . . . . ? B4 B3 B7 Cl8 150.0(5) . . . . ? B2 B3 B7 Cl8 -110.0(6) . . . . ? C25 B3 B8 Cl9 149.3(5) . . . . ? Cl4 B3 B8 Cl9 0.7(9) . . . . ? B4 B3 B8 Cl9 109.5(6) . . . . ? B7 B3 B8 Cl9 -113.6(7) . . . . ? B2 B3 B8 Cl9 -150.2(5) . . . . ? C25 B3 B8 B4 39.9(5) . . . . ? Cl4 B3 B8 B4 -108.8(7) . . . . ? B7 B3 B8 B4 137.0(6) . . . . ? B2 B3 B8 B4 100.3(6) . . . . ? C25 B3 B8 B7 -97.1(5) . . . . ? Cl4 B3 B8 B7 114.2(7) . . . . ? B4 B3 B8 B7 -137.0(6) . . . . ? B2 B3 B8 B7 -36.7(5) . . . . ? C25 B3 B8 B11 -59.5(7) . . . . ? Cl4 B3 B8 B11 151.8(5) . . . . ? B4 B3 B8 B11 -99.4(6) . . . . ? B7 B3 B8 B11 37.6(5) . . . . ? B2 B3 B8 B11 0.9(7) . . . . ? C25 B3 B8 B9 3.0(7) . . . . ? Cl4 B3 B8 B9 -145.7(6) . . . . ? B4 B3 B8 B9 -36.9(5) . . . . ? B7 B3 B8 B9 100.1(6) . . . . ? B2 B3 B8 B9 63.4(7) . . . . ? C25 B4 B8 B3 -39.4(5) . . . . ? Cl5 B4 B8 B3 105.7(7) . . . . ? B5 B4 B8 B3 -100.4(6) . . . . ? B9 B4 B8 B3 -138.6(6) . . . . ? C25 B4 B8 Cl9 -152.8(5) . . . . ? Cl5 B4 B8 Cl9 -7.7(9) . . . . ? B5 B4 B8 Cl9 146.2(5) . . . . ? B9 B4 B8 Cl9 108.0(6) . . . . ? B3 B4 B8 Cl9 -113.4(6) . . . . ? C25 B4 B8 B7 -0.6(7) . . . . ? Cl5 B4 B8 B7 144.5(6) . . . . ? B5 B4 B8 B7 -61.5(7) . . . . ? B9 B4 B8 B7 -99.7(6) . . . . ? B3 B4 B8 B7 38.9(5) . . . . ? C25 B4 B8 B11 62.1(6) . . . . ? Cl5 B4 B8 B11 -152.8(6) . . . . ? B5 B4 B8 B11 1.1(7) . . . . ? B9 B4 B8 B11 -37.1(5) . . . . ? B3 B4 B8 B11 101.5(6) . . . . ? C25 B4 B8 B9 99.2(6) . . . . ? Cl5 B4 B8 B9 -115.7(7) . . . . ? B5 B4 B8 B9 38.2(5) . . . . ? B3 B4 B8 B9 138.6(6) . . . . ? B6 B7 B8 B3 100.6(6) . . . . ? B11 B7 B8 B3 137.6(6) . . . . ? B2 B7 B8 B3 37.5(5) . . . . ? Cl8 B7 B8 B3 -108.4(6) . . . . ? B6 B7 B8 Cl9 -146.9(5) . . . . ? B11 B7 B8 Cl9 -109.9(7) . . . . ? B2 B7 B8 Cl9 150.0(5) . . . . ? Cl8 B7 B8 Cl9 4.1(9) . . . . ? B3 B7 B8 Cl9 112.5(6) . . . . ? B6 B7 B8 B4 61.9(7) . . . . ? B11 B7 B8 B4 99.0(6) . . . . ? B2 B7 B8 B4 -1.2(7) . . . . ? Cl8 B7 B8 B4 -147.1(5) . . . . ? B3 B7 B8 B4 -38.7(5) . . . . ? B6 B7 B8 B11 -37.0(5) . . . . ? B2 B7 B8 B11 -100.2(6) . . . . ? Cl8 B7 B8 B11 114.0(6) . . . . ? B3 B7 B8 B11 -137.6(6) . . . . ? B6 B7 B8 B9 -1.0(7) . . . . ? B11 B7 B8 B9 36.0(5) . . . . ? B2 B7 B8 B9 -64.1(7) . . . . ? Cl8 B7 B8 B9 150.0(5) . . . . ? B3 B7 B8 B9 -101.6(6) . . . . ? C25 B4 B9 Cl10 149.7(5) . . . . ? Cl5 B4 B9 Cl10 1.6(9) . . . . ? B5 B4 B9 Cl10 109.7(6) . . . . ? B8 B4 B9 Cl10 -112.5(7) . . . . ? B3 B4 B9 Cl10 -149.4(5) . . . . ? C25 B4 B9 B11 -60.1(7) . . . . ? Cl5 B4 B9 B11 151.9(5) . . . . ? B5 B4 B9 B11 -100.0(6) . . . . ? B8 B4 B9 B11 37.7(5) . . . . ? B3 B4 B9 B11 0.9(7) . . . . ? C25 B4 B9 B10 3.4(7) . . . . ? Cl5 B4 B9 B10 -144.7(6) . . . . ? B5 B4 B9 B10 -36.6(5) . . . . ? B8 B4 B9 B10 101.1(6) . . . . ? B3 B4 B9 B10 64.3(7) . . . . ? C25 B4 B9 B5 40.0(5) . . . . ? Cl5 B4 B9 B5 -108.1(7) . . . . ? B8 B4 B9 B5 137.8(6) . . . . ? B3 B4 B9 B5 100.9(6) . . . . ? C25 B4 B9 B8 -97.8(6) . . . . ? Cl5 B4 B9 B8 114.1(7) . . . . ? B5 B4 B9 B8 -137.8(6) . . . . ? B3 B4 B9 B8 -36.9(5) . . . . ? C25 B5 B9 Cl10 -152.3(5) . . . . ? Cl6 B5 B9 Cl10 -5.2(9) . . . . ? B10 B5 B9 Cl10 109.4(6) . . . . ? B4 B5 B9 Cl10 -112.0(6) . . . . ? B1 B5 B9 Cl10 146.5(6) . . . . ? C25 B5 B9 B11 60.1(6) . . . . ? Cl6 B5 B9 B11 -152.8(5) . . . . ? B10 B5 B9 B11 -38.1(5) . . . . ? B4 B5 B9 B11 100.4(6) . . . . ? B1 B5 B9 B11 -1.0(7) . . . . ? C25 B5 B9 B4 -40.3(5) . . . . ? Cl6 B5 B9 B4 106.8(7) . . . . ? B10 B5 B9 B4 -138.5(6) . . . . ? B1 B5 B9 B4 -101.4(6) . . . . ? C25 B5 B9 B10 98.2(6) . . . . ? Cl6 B5 B9 B10 -114.7(7) . . . . ? B4 B5 B9 B10 138.5(6) . . . . ? B1 B5 B9 B10 37.1(5) . . . . ? C25 B5 B9 B8 -3.0(7) . . . . ? Cl6 B5 B9 B8 144.1(5) . . . . ? B10 B5 B9 B8 -101.3(6) . . . . ? B4 B5 B9 B8 37.3(5) . . . . ? B1 B5 B9 B8 -64.2(7) . . . . ? B3 B8 B9 Cl10 148.5(5) . . . . ? Cl9 B8 B9 Cl10 0.5(9) . . . . ? B4 B8 B9 Cl10 111.2(6) . . . . ? B7 B8 B9 Cl10 -147.3(6) . . . . ? B11 B8 B9 Cl10 -111.1(7) . . . . ? B3 B8 B9 B11 -100.4(6) . . . . ? Cl9 B8 B9 B11 111.6(6) . . . . ? B4 B8 B9 B11 -137.6(6) . . . . ? B7 B8 B9 B11 -36.2(5) . . . . ? B3 B8 B9 B4 37.3(5) . . . . ? Cl9 B8 B9 B4 -110.7(6) . . . . ? B7 B8 B9 B4 101.5(6) . . . . ? B11 B8 B9 B4 137.6(6) . . . . ? B3 B8 B9 B10 -62.5(7) . . . . ? Cl9 B8 B9 B10 149.5(5) . . . . ? B4 B8 B9 B10 -99.8(6) . . . . ? B7 B8 B9 B10 1.7(7) . . . . ? B11 B8 B9 B10 37.9(5) . . . . ? B3 B8 B9 B5 0.0(7) . . . . ? Cl9 B8 B9 B5 -148.0(5) . . . . ? B4 B8 B9 B5 -37.2(5) . . . . ? B7 B8 B9 B5 64.2(7) . . . . ? B11 B8 B9 B5 100.4(6) . . . . ? C25 B5 B10 Cl11 150.1(5) . . . . ? Cl6 B5 B10 Cl11 2.3(10) . . . . ? B4 B5 B10 Cl11 -148.2(6) . . . . ? B1 B5 B10 Cl11 110.5(7) . . . . ? B9 B5 B10 Cl11 -111.0(7) . . . . ? C25 B5 B10 B1 39.7(5) . . . . ? Cl6 B5 B10 B1 -108.2(7) . . . . ? B4 B5 B10 B1 101.3(6) . . . . ? B9 B5 B10 B1 138.5(6) . . . . ? C25 B5 B10 B9 -98.8(6) . . . . ? Cl6 B5 B10 B9 113.3(7) . . . . ? B4 B5 B10 B9 -37.2(5) . . . . ? B1 B5 B10 B9 -138.5(6) . . . . ? C25 B5 B10 B11 -60.9(7) . . . . ? Cl6 B5 B10 B11 151.2(6) . . . . ? B4 B5 B10 B11 0.7(7) . . . . ? B1 B5 B10 B11 -100.6(6) . . . . ? B9 B5 B10 B11 37.9(5) . . . . ? C25 B5 B10 B6 1.6(7) . . . . ? Cl6 B5 B10 B6 -146.2(6) . . . . ? B4 B5 B10 B6 63.3(7) . . . . ? B1 B5 B10 B6 -38.0(5) . . . . ? B9 B5 B10 B6 100.5(6) . . . . ? C25 B1 B10 B5 -39.5(5) . . . . ? Cl2 B1 B10 B5 108.0(7) . . . . ? B2 B1 B10 B5 -100.4(6) . . . . ? B6 B1 B10 B5 -137.4(6) . . . . ? C25 B1 B10 Cl11 -151.3(5) . . . . ? Cl2 B1 B10 Cl11 -3.8(9) . . . . ? B2 B1 B10 Cl11 147.8(5) . . . . ? B5 B1 B10 Cl11 -111.8(7) . . . . ? B6 B1 B10 Cl11 110.8(6) . . . . ? C25 B1 B10 B9 -1.9(7) . . . . ? Cl2 B1 B10 B9 145.5(6) . . . . ? B2 B1 B10 B9 -62.8(7) . . . . ? B5 B1 B10 B9 37.6(5) . . . . ? B6 B1 B10 B9 -99.9(6) . . . . ? C25 B1 B10 B11 61.1(6) . . . . ? Cl2 B1 B10 B11 -151.4(6) . . . . ? B2 B1 B10 B11 0.2(7) . . . . ? B5 B1 B10 B11 100.6(6) . . . . ? B6 B1 B10 B11 -36.8(5) . . . . ? C25 B1 B10 B6 97.9(6) . . . . ? Cl2 B1 B10 B6 -114.6(7) . . . . ? B2 B1 B10 B6 37.0(5) . . . . ? B5 B1 B10 B6 137.4(6) . . . . ? Cl10 B9 B10 B5 -110.6(6) . . . . ? B11 B9 B10 B5 137.2(6) . . . . ? B4 B9 B10 B5 36.6(5) . . . . ? B8 B9 B10 B5 99.4(6) . . . . ? Cl10 B9 B10 Cl11 1.1(9) . . . . ? B11 B9 B10 Cl11 -111.2(7) . . . . ? B4 B9 B10 Cl11 148.3(5) . . . . ? B5 B9 B10 Cl11 111.6(7) . . . . ? B8 B9 B10 Cl11 -148.9(5) . . . . ? Cl10 B9 B10 B1 -148.1(5) . . . . ? B11 B9 B10 B1 99.6(6) . . . . ? B4 B9 B10 B1 -0.9(7) . . . . ? B5 B9 B10 B1 -37.6(5) . . . . ? B8 B9 B10 B1 61.9(7) . . . . ? Cl10 B9 B10 B11 112.2(6) . . . . ? B4 B9 B10 B11 -100.6(6) . . . . ? B5 B9 B10 B11 -137.2(6) . . . . ? B8 B9 B10 B11 -37.8(5) . . . . ? Cl10 B9 B10 B6 148.3(5) . . . . ? B11 B9 B10 B6 36.1(5) . . . . ? B4 B9 B10 B6 -64.5(7) . . . . ? B5 B9 B10 B6 -101.1(6) . . . . ? B8 B9 B10 B6 -1.7(7) . . . . ? B2 B6 B10 B5 1.0(7) . . . . ? B7 B6 B10 B5 -62.8(7) . . . . ? Cl7 B6 B10 B5 148.8(5) . . . . ? B11 B6 B10 B5 -100.1(6) . . . . ? B1 B6 B10 B5 38.2(5) . . . . ? B2 B6 B10 Cl11 -147.8(6) . . . . ? B7 B6 B10 Cl11 148.4(5) . . . . ? Cl7 B6 B10 Cl11 0.0(9) . . . . ? B11 B6 B10 Cl11 111.1(7) . . . . ? B1 B6 B10 Cl11 -110.5(7) . . . . ? B2 B6 B10 B1 -37.2(5) . . . . ? B7 B6 B10 B1 -101.0(6) . . . . ? Cl7 B6 B10 B1 110.5(6) . . . . ? B11 B6 B10 B1 -138.3(6) . . . . ? B2 B6 B10 B9 64.9(7) . . . . ? B7 B6 B10 B9 1.1(7) . . . . ? Cl7 B6 B10 B9 -147.3(5) . . . . ? B11 B6 B10 B9 -36.2(5) . . . . ? B1 B6 B10 B9 102.1(6) . . . . ? B2 B6 B10 B11 101.1(6) . . . . ? B7 B6 B10 B11 37.3(5) . . . . ? Cl7 B6 B10 B11 -111.1(6) . . . . ? B1 B6 B10 B11 138.3(6) . . . . ? B6 B7 B11 Cl12 -109.8(6) . . . . ? B2 B7 B11 Cl12 -147.6(5) . . . . ? B8 B7 B11 Cl12 111.2(6) . . . . ? Cl8 B7 B11 Cl12 0.5(9) . . . . ? B3 B7 B11 Cl12 148.6(5) . . . . ? B6 B7 B11 B9 101.7(6) . . . . ? B2 B7 B11 B9 64.0(7) . . . . ? B8 B7 B11 B9 -37.2(5) . . . . ? Cl8 B7 B11 B9 -147.9(5) . . . . ? B3 B7 B11 B9 0.1(7) . . . . ? B2 B7 B11 B6 -37.8(5) . . . . ? B8 B7 B11 B6 -139.0(6) . . . . ? Cl8 B7 B11 B6 110.3(7) . . . . ? B3 B7 B11 B6 -101.6(6) . . . . ? B6 B7 B11 B10 37.7(5) . . . . ? B2 B7 B11 B10 0.0(7) . . . . ? B8 B7 B11 B10 -101.2(6) . . . . ? Cl8 B7 B11 B10 148.1(5) . . . . ? B3 B7 B11 B10 -63.9(7) . . . . ? B6 B7 B11 B8 139.0(6) . . . . ? B2 B7 B11 B8 101.2(6) . . . . ? Cl8 B7 B11 B8 -110.7(7) . . . . ? B3 B7 B11 B8 37.4(5) . . . . ? Cl10 B9 B11 Cl12 1.5(9) . . . . ? B4 B9 B11 Cl12 -148.8(5) . . . . ? B10 B9 B11 Cl12 111.0(6) . . . . ? B5 B9 B11 Cl12 148.7(5) . . . . ? B8 B9 B11 Cl12 -111.3(6) . . . . ? Cl10 B9 B11 B7 149.7(5) . . . . ? B4 B9 B11 B7 -0.6(7) . . . . ? B10 B9 B11 B7 -100.9(6) . . . . ? B5 B9 B11 B7 -63.1(7) . . . . ? B8 B9 B11 B7 36.9(5) . . . . ? Cl10 B9 B11 B6 -146.6(5) . . . . ? B4 B9 B11 B6 63.1(7) . . . . ? B10 B9 B11 B6 -37.2(5) . . . . ? B5 B9 B11 B6 0.5(7) . . . . ? B8 B9 B11 B6 100.6(6) . . . . ? Cl10 B9 B11 B10 -109.4(7) . . . . ? B4 B9 B11 B10 100.3(6) . . . . ? B5 B9 B11 B10 37.7(5) . . . . ? B8 B9 B11 B10 137.7(6) . . . . ? Cl10 B9 B11 B8 112.8(7) . . . . ? B4 B9 B11 B8 -37.5(5) . . . . ? B10 B9 B11 B8 -137.7(6) . . . . ? B5 B9 B11 B8 -100.0(6) . . . . ? B2 B6 B11 Cl12 148.4(5) . . . . ? B7 B6 B11 Cl12 110.1(6) . . . . ? Cl7 B6 B11 Cl12 -0.8(9) . . . . ? B1 B6 B11 Cl12 -148.4(5) . . . . ? B10 B6 B11 Cl12 -111.6(6) . . . . ? B2 B6 B11 B7 38.3(5) . . . . ? Cl7 B6 B11 B7 -110.9(7) . . . . ? B1 B6 B11 B7 101.6(6) . . . . ? B10 B6 B11 B7 138.4(6) . . . . ? B2 B6 B11 B9 -63.1(7) . . . . ? B7 B6 B11 B9 -101.4(6) . . . . ? Cl7 B6 B11 B9 147.7(5) . . . . ? B1 B6 B11 B9 0.1(7) . . . . ? B10 B6 B11 B9 36.9(5) . . . . ? B2 B6 B11 B10 -100.0(6) . . . . ? B7 B6 B11 B10 -138.4(6) . . . . ? Cl7 B6 B11 B10 110.8(6) . . . . ? B1 B6 B11 B10 -36.8(5) . . . . ? B2 B6 B11 B8 1.6(7) . . . . ? B7 B6 B11 B8 -36.8(5) . . . . ? Cl7 B6 B11 B8 -147.6(5) . . . . ? B1 B6 B11 B8 64.8(7) . . . . ? B10 B6 B11 B8 101.6(6) . . . . ? B5 B10 B11 Cl12 -149.2(5) . . . . ? Cl11 B10 B11 Cl12 -0.2(9) . . . . ? B1 B10 B11 Cl12 147.1(5) . . . . ? B9 B10 B11 Cl12 -110.8(6) . . . . ? B6 B10 B11 Cl12 109.9(6) . . . . ? B5 B10 B11 B7 63.6(7) . . . . ? Cl11 B10 B11 B7 -147.4(6) . . . . ? B1 B10 B11 B7 -0.1(7) . . . . ? B9 B10 B11 B7 102.0(6) . . . . ? B6 B10 B11 B7 -37.3(5) . . . . ? B5 B10 B11 B9 -38.3(5) . . . . ? Cl11 B10 B11 B9 110.6(7) . . . . ? B1 B10 B11 B9 -102.1(6) . . . . ? B6 B10 B11 B9 -139.2(6) . . . . ? B5 B10 B11 B6 100.9(6) . . . . ? Cl11 B10 B11 B6 -110.2(6) . . . . ? B1 B10 B11 B6 37.2(5) . . . . ? B9 B10 B11 B6 139.2(6) . . . . ? B5 B10 B11 B8 0.0(7) . . . . ? Cl11 B10 B11 B8 148.9(6) . . . . ? B1 B10 B11 B8 -63.8(7) . . . . ? B9 B10 B11 B8 38.3(5) . . . . ? B6 B10 B11 B8 -100.9(6) . . . . ? B3 B8 B11 Cl12 -148.0(5) . . . . ? Cl9 B8 B11 Cl12 3.7(9) . . . . ? B4 B8 B11 Cl12 148.5(5) . . . . ? B7 B8 B11 Cl12 -109.8(6) . . . . ? B9 B8 B11 Cl12 111.1(6) . . . . ? B3 B8 B11 B7 -38.2(5) . . . . ? Cl9 B8 B11 B7 113.5(7) . . . . ? B4 B8 B11 B7 -101.8(6) . . . . ? B9 B8 B11 B7 -139.1(6) . . . . ? B3 B8 B11 B9 100.9(6) . . . . ? Cl9 B8 B11 B9 -107.4(7) . . . . ? B4 B8 B11 B9 37.3(5) . . . . ? B7 B8 B11 B9 139.1(6) . . . . ? B3 B8 B11 B6 -1.5(7) . . . . ? Cl9 B8 B11 B6 150.2(5) . . . . ? B4 B8 B11 B6 -65.1(7) . . . . ? B7 B8 B11 B6 36.7(5) . . . . ? B9 B8 B11 B6 -102.5(6) . . . . ? B3 B8 B11 B10 62.9(7) . . . . ? Cl9 B8 B11 B10 -145.4(6) . . . . ? B4 B8 B11 B10 -0.7(7) . . . . ? B7 B8 B11 B10 101.1(6) . . . . ? B9 B8 B11 B10 -38.0(5) . . . . ? B6 B2 C25 B5 4.6(7) . . . . ? Cl3 B2 C25 B5 -145.7(5) . . . . ? B1 B2 C25 B5 -36.6(6) . . . . ? B7 B2 C25 B5 66.9(7) . . . . ? B3 B2 C25 B5 107.3(6) . . . . ? B6 B2 C25 B3 -102.6(6) . . . . ? Cl3 B2 C25 B3 107.1(6) . . . . ? B1 B2 C25 B3 -143.8(6) . . . . ? B7 B2 C25 B3 -40.3(5) . . . . ? B6 B2 C25 B1 41.2(5) . . . . ? Cl3 B2 C25 B1 -109.1(6) . . . . ? B7 B2 C25 B1 103.5(6) . . . . ? B3 B2 C25 B1 143.8(6) . . . . ? B6 B2 C25 B4 -65.4(7) . . . . ? Cl3 B2 C25 B4 144.4(5) . . . . ? B1 B2 C25 B4 -106.5(6) . . . . ? B7 B2 C25 B4 -3.1(7) . . . . ? B3 B2 C25 B4 37.3(5) . . . . ? Cl6 B5 C25 B2 145.4(5) . . . . ? B10 B5 C25 B2 -4.0(7) . . . . ? B4 B5 C25 B2 -107.0(6) . . . . ? B1 B5 C25 B2 36.4(5) . . . . ? B9 B5 C25 B2 -66.2(7) . . . . ? Cl6 B5 C25 B3 -143.0(5) . . . . ? B10 B5 C25 B3 67.6(7) . . . . ? B4 B5 C25 B3 -35.5(5) . . . . ? B1 B5 C25 B3 107.9(6) . . . . ? B9 B5 C25 B3 5.3(7) . . . . ? Cl6 B5 C25 B1 109.1(6) . . . . ? B10 B5 C25 B1 -40.3(5) . . . . ? B4 B5 C25 B1 -143.4(6) . . . . ? B9 B5 C25 B1 -102.6(6) . . . . ? Cl6 B5 C25 B4 -107.6(6) . . . . ? B10 B5 C25 B4 103.1(6) . . . . ? B1 B5 C25 B4 143.4(6) . . . . ? B9 B5 C25 B4 40.8(5) . . . . ? Cl4 B3 C25 B2 -108.6(6) . . . . ? B8 B3 C25 B2 101.6(6) . . . . ? B4 B3 C25 B2 142.1(6) . . . . ? B7 B3 C25 B2 39.5(5) . . . . ? Cl4 B3 C25 B5 144.6(5) . . . . ? B8 B3 C25 B5 -5.3(7) . . . . ? B4 B3 C25 B5 35.3(5) . . . . ? B7 B3 C25 B5 -67.3(7) . . . . ? B2 B3 C25 B5 -106.9(6) . . . . ? Cl4 B3 C25 B1 -144.3(6) . . . . ? B8 B3 C25 B1 65.8(7) . . . . ? B4 B3 C25 B1 106.4(6) . . . . ? B7 B3 C25 B1 3.8(7) . . . . ? B2 B3 C25 B1 -35.8(6) . . . . ? Cl4 B3 C25 B4 109.3(6) . . . . ? B8 B3 C25 B4 -40.6(5) . . . . ? B7 B3 C25 B4 -102.6(6) . . . . ? B2 B3 C25 B4 -142.1(6) . . . . ? Cl2 B1 C25 B2 109.3(7) . . . . ? B10 B1 C25 B2 -102.6(6) . . . . ? B5 B1 C25 B2 -142.8(6) . . . . ? B6 B1 C25 B2 -39.9(5) . . . . ? Cl2 B1 C25 B5 -107.9(7) . . . . ? B2 B1 C25 B5 142.8(6) . . . . ? B10 B1 C25 B5 40.2(5) . . . . ? B6 B1 C25 B5 102.9(6) . . . . ? Cl2 B1 C25 B3 145.5(6) . . . . ? B2 B1 C25 B3 36.2(6) . . . . ? B10 B1 C25 B3 -66.4(7) . . . . ? B5 B1 C25 B3 -106.6(6) . . . . ? B6 B1 C25 B3 -3.7(7) . . . . ? Cl2 B1 C25 B4 -143.7(6) . . . . ? B2 B1 C25 B4 107.0(6) . . . . ? B10 B1 C25 B4 4.4(7) . . . . ? B5 B1 C25 B4 -35.8(5) . . . . ? B6 B1 C25 B4 67.1(7) . . . . ? Cl5 B4 C25 B2 -144.6(5) . . . . ? B5 B4 C25 B2 106.3(6) . . . . ? B8 B4 C25 B2 2.3(7) . . . . ? B9 B4 C25 B2 65.3(7) . . . . ? B3 B4 C25 B2 -37.6(5) . . . . ? Cl5 B4 C25 B5 109.1(6) . . . . ? B8 B4 C25 B5 -104.0(6) . . . . ? B9 B4 C25 B5 -41.0(5) . . . . ? B3 B4 C25 B5 -143.9(6) . . . . ? Cl5 B4 C25 B3 -107.0(6) . . . . ? B5 B4 C25 B3 143.9(6) . . . . ? B8 B4 C25 B3 40.0(5) . . . . ? B9 B4 C25 B3 102.9(6) . . . . ? Cl5 B4 C25 B1 145.1(5) . . . . ? B5 B4 C25 B1 36.0(5) . . . . ? B8 B4 C25 B1 -67.9(7) . . . . ? B9 B4 C25 B1 -5.0(7) . . . . ? B3 B4 C25 B1 -107.9(6) . . . . ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 27.50 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 1.641 _refine_diff_density_min -1.782 _refine_diff_density_rms 0.211