# Electronic Supplementary Material (ESI) for Chemical Communications # 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_1 _database_code_depnum_ccdc_archive 'CCDC 913240' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ; ? ; _chemical_melting_point ? _chemical_formula_moiety 'C40 H78 B2 O4 P2 Pt' _chemical_formula_sum 'C40 H78 B2 O4 P2 Pt' _chemical_formula_weight 901.67 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' O O 0.0106 0.0060 '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 _symmetry_space_group_name_Hall '-P 2yn' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 11.8325(2) _cell_length_b 41.1461(9) _cell_length_c 21.8039(5) _cell_angle_alpha 90.00 _cell_angle_beta 90.0190(10) _cell_angle_gamma 90.00 _cell_volume 10615.5(4) _cell_formula_units_Z 8 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 8134 _cell_measurement_theta_min 2.19 _cell_measurement_theta_max 24.62 _exptl_crystal_description block _exptl_crystal_colour colourless _exptl_crystal_size_max 0.32 _exptl_crystal_size_mid 0.24 _exptl_crystal_size_min 0.11 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.128 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3744 _exptl_absorpt_coefficient_mu 2.734 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.6195 _exptl_absorpt_correction_T_max 0.7454 _exptl_absorpt_process_details 'Sadabs 2008/1 (Bruker 2008)' _exptl_special_details ; The crystal was immersed in a film of perfluoropolyether oil, mounted on a a glass fiber and transferred to stream of cold nitrogen. ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'rotating anode' _diffrn_radiation_monochromator 'multi-layer mirror' _diffrn_measurement_device_type 'Bruker X8-APEX II' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean 8.333 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 21788 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_sigmaI/netI 0.0826 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 51 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 27 _diffrn_reflns_theta_min 0.99 _diffrn_reflns_theta_max 26.44 _reflns_number_total 21788 _reflns_number_gt 15647 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'APEX2 ver. 2010.3 (Bruker AXS)' _computing_cell_refinement 'Saint+ ver. 7.68A (Bruker AXS)' _computing_data_reduction 'Saint+ ver. 7.68A (Bruker AXS)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'XP ver. 5.1 (Bruker AXS, 1998)' _computing_publication_material 'SHELXL-97 (Sheldrick, 2008)' loop_ _platon_squeeze_void_nr _platon_squeeze_void_average_x _platon_squeeze_void_average_y _platon_squeeze_void_average_z _platon_squeeze_void_volume _platon_squeeze_void_count_electrons _platon_squeeze_void_content 1 -0.011 0.000 0.500 1362 381 ' ' 2 0.047 0.500 1.000 1362 381 ' ' _platon_squeeze_details ; The unit cell contains two pentane molecules which have been treated as a diffuse contribution to the overall scattering without specific atom positions by SQUEEZE/PLATON. ; _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^)+(0.0311P)^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 21788 _refine_ls_number_parameters 880 _refine_ls_number_restraints 42 _refine_ls_R_factor_all 0.0664 _refine_ls_R_factor_gt 0.0386 _refine_ls_wR_factor_ref 0.0779 _refine_ls_wR_factor_gt 0.0730 _refine_ls_goodness_of_fit_ref 0.983 _refine_ls_restrained_S_all 0.986 _refine_ls_shift/su_max 0.004 _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 0.659145(13) 0.400038(4) 0.297778(7) 0.01288(5) Uani 1 1 d . . . B2 B 0.6624(4) 0.38744(11) 0.2048(2) 0.0165(11) Uani 1 1 d . . . O3 O 0.6280(2) 0.40938(6) 0.16047(12) 0.0185(6) Uani 1 1 d . . . C4 C 0.6471(4) 0.40316(11) 0.09664(18) 0.0296(11) Uani 1 1 d . . . H4A H 0.6166 0.3817 0.0860 0.044 Uiso 1 1 calc R . . H4B H 0.7284 0.4036 0.0882 0.044 Uiso 1 1 calc R . . H4C H 0.6092 0.4199 0.0721 0.044 Uiso 1 1 calc R . . O5 O 0.7010(2) 0.35846(6) 0.18045(12) 0.0190(6) Uani 1 1 d . . . C6 C 0.7403(4) 0.33256(9) 0.21782(19) 0.0245(11) Uani 1 1 d . . . H6A H 0.6780 0.3175 0.2260 0.037 Uiso 1 1 calc R . . H6B H 0.7689 0.3413 0.2567 0.037 Uiso 1 1 calc R . . H6C H 0.8013 0.3210 0.1966 0.037 Uiso 1 1 calc R . . B7 B 0.5121(4) 0.37319(12) 0.2774(2) 0.0198(11) Uani 1 1 d . . . O8 O 0.5091(2) 0.34041(6) 0.28804(13) 0.0221(7) Uani 1 1 d . . . C9 C 0.4133(4) 0.32086(11) 0.2727(2) 0.0304(12) Uani 1 1 d . . . H9A H 0.4160 0.3153 0.2291 0.046 Uiso 1 1 calc R . . H9B H 0.3439 0.3330 0.2813 0.046 Uiso 1 1 calc R . . H9C H 0.4144 0.3009 0.2973 0.046 Uiso 1 1 calc R . . O10 O 0.4138(2) 0.38549(7) 0.25299(13) 0.0216(7) Uani 1 1 d . . . C11 C 0.4002(4) 0.41884(11) 0.2368(2) 0.0294(11) Uani 1 1 d . . . H11A H 0.4260 0.4222 0.1946 0.044 Uiso 1 1 calc R . . H11B H 0.4450 0.4324 0.2646 0.044 Uiso 1 1 calc R . . H11C H 0.3203 0.4248 0.2401 0.044 Uiso 1 1 calc R . . P12 P 0.81717(9) 0.43456(2) 0.28230(5) 0.0150(2) Uani 1 1 d . . . C13 C 0.9540(3) 0.41555(10) 0.25903(18) 0.0173(9) Uani 1 1 d . . . H13 H 1.0120 0.4332 0.2581 0.021 Uiso 1 1 calc R . . C14 C 0.9925(3) 0.39065(10) 0.30700(19) 0.0206(10) Uani 1 1 d . . . H14A H 0.9356 0.3731 0.3102 0.025 Uiso 1 1 calc R . . H14B H 0.9984 0.4013 0.3475 0.025 Uiso 1 1 calc R . . C15 C 1.1080(4) 0.37588(11) 0.2896(2) 0.0302(12) Uani 1 1 d . . . H15A H 1.1667 0.3930 0.2911 0.036 Uiso 1 1 calc R . . H15B H 1.1285 0.3588 0.3196 0.036 Uiso 1 1 calc R . . C16 C 1.1044(4) 0.36117(11) 0.2254(2) 0.0309(12) Uani 1 1 d . . . H16A H 1.1805 0.3532 0.2143 0.037 Uiso 1 1 calc R . . H16B H 1.0519 0.3424 0.2252 0.037 Uiso 1 1 calc R . . C17 C 1.0657(4) 0.38597(11) 0.1783(2) 0.0271(11) Uani 1 1 d . . . H17A H 1.0606 0.3754 0.1376 0.033 Uiso 1 1 calc R . . H17B H 1.1223 0.4036 0.1755 0.033 Uiso 1 1 calc R . . C18 C 0.9507(3) 0.40040(10) 0.19516(19) 0.0220(10) Uani 1 1 d . . . H18A H 0.9296 0.4172 0.1647 0.026 Uiso 1 1 calc R . . H18B H 0.8925 0.3831 0.1941 0.026 Uiso 1 1 calc R . . C19 C 0.7883(4) 0.46119(10) 0.21541(18) 0.0212(10) Uani 1 1 d . . . H19 H 0.7841 0.4458 0.1800 0.025 Uiso 1 1 calc R . . C20 C 0.8805(4) 0.48582(11) 0.1964(2) 0.0334(12) Uani 1 1 d . . . H20A H 0.8840 0.5038 0.2266 0.040 Uiso 1 1 calc R . . H20B H 0.9551 0.4750 0.1954 0.040 Uiso 1 1 calc R . . C21 C 0.8523(5) 0.49929(12) 0.1333(2) 0.0490(16) Uani 1 1 d . . . H21A H 0.8549 0.4815 0.1029 0.059 Uiso 1 1 calc R . . H21B H 0.9099 0.5156 0.1216 0.059 Uiso 1 1 calc R . . C22 C 0.7358(5) 0.51505(12) 0.1317(2) 0.0547(17) Uani 1 1 d . . . H22A H 0.7188 0.5221 0.0893 0.066 Uiso 1 1 calc R . . H22B H 0.7360 0.5346 0.1583 0.066 Uiso 1 1 calc R . . C23 C 0.6441(4) 0.49159(12) 0.1535(2) 0.0417(14) Uani 1 1 d . . . H23A H 0.5707 0.5032 0.1551 0.050 Uiso 1 1 calc R . . H23B H 0.6368 0.4736 0.1236 0.050 Uiso 1 1 calc R . . C24 C 0.6709(4) 0.47779(10) 0.2162(2) 0.0280(11) Uani 1 1 d . . . H24A H 0.6124 0.4618 0.2279 0.034 Uiso 1 1 calc R . . H24B H 0.6706 0.4955 0.2470 0.034 Uiso 1 1 calc R . . C25 C 0.8626(3) 0.46159(9) 0.34685(18) 0.0163(9) Uani 1 1 d . . . H25 H 0.8647 0.4474 0.3840 0.020 Uiso 1 1 calc R . . C26 C 0.9786(3) 0.47848(10) 0.34466(19) 0.0213(10) Uani 1 1 d . . . H26A H 1.0386 0.4619 0.3397 0.026 Uiso 1 1 calc R . . H26B H 0.9815 0.4932 0.3088 0.026 Uiso 1 1 calc R . . C27 C 1.0005(4) 0.49799(10) 0.4031(2) 0.0237(10) Uani 1 1 d . . . H27A H 1.0068 0.4829 0.4383 0.028 Uiso 1 1 calc R . . H27B H 1.0733 0.5097 0.3991 0.028 Uiso 1 1 calc R . . C28 C 0.9066(4) 0.52250(10) 0.4160(2) 0.0262(11) Uani 1 1 d . . . H28A H 0.9212 0.5335 0.4556 0.031 Uiso 1 1 calc R . . H28B H 0.9059 0.5392 0.3834 0.031 Uiso 1 1 calc R . . C29 C 0.7928(4) 0.50579(10) 0.41827(19) 0.0263(11) Uani 1 1 d . . . H29A H 0.7326 0.5222 0.4237 0.032 Uiso 1 1 calc R . . H29B H 0.7904 0.4908 0.4538 0.032 Uiso 1 1 calc R . . C30 C 0.7714(3) 0.48674(10) 0.35953(18) 0.0199(10) Uani 1 1 d . . . H30A H 0.6974 0.4756 0.3627 0.024 Uiso 1 1 calc R . . H30B H 0.7675 0.5021 0.3246 0.024 Uiso 1 1 calc R . . P31 P 0.61722(9) 0.39703(2) 0.40402(5) 0.0146(2) Uani 1 1 d . . . C32 C 0.7200(3) 0.41415(10) 0.46142(18) 0.0167(9) Uani 1 1 d . . . H32 H 0.7424 0.4359 0.4451 0.020 Uiso 1 1 calc R . . C33 C 0.8286(3) 0.39372(10) 0.4617(2) 0.0239(10) Uani 1 1 d . . . H33A H 0.8118 0.3719 0.4785 0.029 Uiso 1 1 calc R . . H33B H 0.8555 0.3909 0.4190 0.029 Uiso 1 1 calc R . . C34 C 0.9223(4) 0.40962(11) 0.5000(2) 0.0312(12) Uani 1 1 d . . . H34A H 0.9899 0.3954 0.5006 0.037 Uiso 1 1 calc R . . H34B H 0.9440 0.4307 0.4815 0.037 Uiso 1 1 calc R . . C35 C 0.8801(4) 0.41494(12) 0.5650(2) 0.0395(14) Uani 1 1 d . . . H35A H 0.8643 0.3936 0.5843 0.047 Uiso 1 1 calc R . . H35B H 0.9395 0.4259 0.5893 0.047 Uiso 1 1 calc R . . C36 C 0.7746(4) 0.43526(12) 0.5657(2) 0.0350(12) Uani 1 1 d . . . H36A H 0.7921 0.4572 0.5495 0.042 Uiso 1 1 calc R . . H36B H 0.7484 0.4378 0.6086 0.042 Uiso 1 1 calc R . . C37 C 0.6800(4) 0.42016(11) 0.52749(19) 0.0283(11) Uani 1 1 d . . . H37A H 0.6139 0.4349 0.5271 0.034 Uiso 1 1 calc R . . H37B H 0.6564 0.3993 0.5462 0.034 Uiso 1 1 calc R . . C38 C 0.4860(3) 0.41696(9) 0.43100(18) 0.0173(9) Uani 1 1 d . . . H38 H 0.4834 0.4142 0.4766 0.021 Uiso 1 1 calc R . . C39 C 0.4902(4) 0.45384(9) 0.4181(2) 0.0244(11) Uani 1 1 d . . . H39A H 0.5600 0.4630 0.4362 0.029 Uiso 1 1 calc R . . H39B H 0.4931 0.4575 0.3732 0.029 Uiso 1 1 calc R . . C40 C 0.3882(4) 0.47146(11) 0.4444(2) 0.0334(12) Uani 1 1 d . . . H40A H 0.3897 0.4699 0.4897 0.040 Uiso 1 1 calc R . . H40B H 0.3917 0.4947 0.4331 0.040 Uiso 1 1 calc R . . C41 C 0.2788(4) 0.45685(11) 0.4205(2) 0.0356(13) Uani 1 1 d . . . H41A H 0.2729 0.4610 0.3759 0.043 Uiso 1 1 calc R . . H41B H 0.2140 0.4676 0.4408 0.043 Uiso 1 1 calc R . . C42 C 0.2724(3) 0.42039(10) 0.4320(2) 0.0271(11) Uani 1 1 d . . . H42A H 0.2027 0.4116 0.4131 0.032 Uiso 1 1 calc R . . H42B H 0.2685 0.4163 0.4767 0.032 Uiso 1 1 calc R . . C43 C 0.3752(3) 0.40292(10) 0.4054(2) 0.0237(10) Uani 1 1 d . . . H43A H 0.3747 0.4051 0.3601 0.028 Uiso 1 1 calc R . . H43B H 0.3707 0.3795 0.4154 0.028 Uiso 1 1 calc R . . C44 C 0.5943(3) 0.35337(9) 0.42442(19) 0.0187(10) Uani 1 1 d . . . H44 H 0.5232 0.3473 0.4024 0.022 Uiso 1 1 calc R . . C45 C 0.5705(4) 0.34502(10) 0.49167(19) 0.0219(10) Uani 1 1 d . . . H45A H 0.6389 0.3494 0.5165 0.026 Uiso 1 1 calc R . . H45B H 0.5089 0.3590 0.5072 0.026 Uiso 1 1 calc R . . C46 C 0.5370(4) 0.30949(10) 0.4985(2) 0.0245(11) Uani 1 1 d . . . H46A H 0.5259 0.3044 0.5425 0.029 Uiso 1 1 calc R . . H46B H 0.4644 0.3057 0.4771 0.029 Uiso 1 1 calc R . . C47 C 0.6264(4) 0.28698(10) 0.4722(2) 0.0290(11) Uani 1 1 d . . . H47A H 0.6001 0.2642 0.4753 0.035 Uiso 1 1 calc R . . H47B H 0.6969 0.2891 0.4963 0.035 Uiso 1 1 calc R . . C48 C 0.6504(4) 0.29527(10) 0.4046(2) 0.0261(11) Uani 1 1 d . . . H48A H 0.7121 0.2812 0.3892 0.031 Uiso 1 1 calc R . . H48B H 0.5821 0.2909 0.3797 0.031 Uiso 1 1 calc R . . C49 C 0.6840(3) 0.33072(10) 0.39755(19) 0.0208(10) Uani 1 1 d . . . H49A H 0.6945 0.3357 0.3535 0.025 Uiso 1 1 calc R . . H49B H 0.7569 0.3345 0.4187 0.025 Uiso 1 1 calc R . . Pt50 Pt 0.600737(13) 0.270474(4) 0.889837(7) 0.01495(5) Uani 1 1 d . A . B51 B 0.6217(5) 0.24447(12) 0.8079(2) 0.0245(12) Uani 1 1 d . . . O52 O 0.7026(3) 0.25323(7) 0.76512(13) 0.0288(8) Uani 1 1 d . . . C53 C 0.7108(4) 0.23657(12) 0.7077(2) 0.0385(13) Uani 1 1 d . . . H53A H 0.6401 0.2393 0.6848 0.058 Uiso 1 1 calc R . . H53B H 0.7244 0.2134 0.7151 0.058 Uiso 1 1 calc R . . H53C H 0.7735 0.2456 0.6838 0.058 Uiso 1 1 calc R . . O54 O 0.5573(3) 0.21831(7) 0.78991(13) 0.0276(7) Uani 1 1 d . . . C55 C 0.4677(4) 0.20581(11) 0.8259(2) 0.0274(11) Uani 1 1 d . . . H55A H 0.4360 0.2232 0.8512 0.041 Uiso 1 1 calc R . . H55B H 0.4963 0.1884 0.8524 0.041 Uiso 1 1 calc R . . H55C H 0.4087 0.1971 0.7989 0.041 Uiso 1 1 calc R . . B56 B 0.7065(4) 0.23041(12) 0.9050(2) 0.0212(12) Uani 1 1 d . . . O57 O 0.6624(2) 0.20088(6) 0.92252(13) 0.0241(7) Uani 1 1 d . . . C58 C 0.7342(4) 0.17367(10) 0.9325(2) 0.0333(12) Uani 1 1 d . . . H58A H 0.7751 0.1765 0.9712 0.050 Uiso 1 1 calc R . . H58B H 0.7884 0.1719 0.8987 0.050 Uiso 1 1 calc R . . H58C H 0.6885 0.1538 0.9345 0.050 Uiso 1 1 calc R . . O59 O 0.8224(2) 0.23036(7) 0.89838(14) 0.0268(7) Uani 1 1 d . . . C60 C 0.8826(4) 0.25839(11) 0.8783(2) 0.0374(13) Uani 1 1 d . . . H60A H 0.8418 0.2780 0.8909 0.056 Uiso 1 1 calc R . . H60B H 0.8893 0.2580 0.8335 0.056 Uiso 1 1 calc R . . H60C H 0.9583 0.2585 0.8967 0.056 Uiso 1 1 calc R . . P63 P 0.51111(10) 0.31324(3) 0.83598(5) 0.0215(3) Uani 1 1 d . . . C64 C 0.4706(3) 0.35112(9) 0.87813(18) 0.0189(10) Uani 1 1 d . A . H64 H 0.4355 0.3433 0.9172 0.023 Uiso 1 1 calc R . . C65 C 0.5745(4) 0.37020(10) 0.8982(2) 0.0267(11) Uani 1 1 d . . . H65A H 0.6286 0.3553 0.9184 0.032 Uiso 1 1 calc R A . H65B H 0.6121 0.3795 0.8616 0.032 Uiso 1 1 calc R . . C66 C 0.5447(4) 0.39755(11) 0.9423(2) 0.0332(12) Uani 1 1 d . A . H66A H 0.6139 0.4099 0.9528 0.040 Uiso 1 1 calc R . . H66B H 0.5136 0.3882 0.9806 0.040 Uiso 1 1 calc R . . C67 C 0.4578(4) 0.42064(11) 0.9138(2) 0.0394(13) Uani 1 1 d . . . H67A H 0.4909 0.4314 0.8774 0.047 Uiso 1 1 calc R A . H67B H 0.4368 0.4376 0.9438 0.047 Uiso 1 1 calc R . . C68 C 0.3519(4) 0.40148(11) 0.8947(2) 0.0433(14) Uani 1 1 d . A . H68A H 0.3158 0.3920 0.9316 0.052 Uiso 1 1 calc R . . H68B H 0.2970 0.4164 0.8751 0.052 Uiso 1 1 calc R . . C69 C 0.3824(4) 0.37426(10) 0.8500(2) 0.0311(12) Uani 1 1 d . . . H69A H 0.4131 0.3838 0.8118 0.037 Uiso 1 1 calc R A . H69B H 0.3135 0.3619 0.8393 0.037 Uiso 1 1 calc R . . C172 C 0.3778(4) 0.30388(11) 0.7952(2) 0.0313(12) Uani 1 1 d . A . H172 H 0.3504 0.3247 0.7766 0.038 Uiso 1 1 calc R . . C173 C 0.2873(4) 0.29285(11) 0.8411(2) 0.0331(12) Uani 1 1 d . . . H17C H 0.3141 0.2731 0.8626 0.040 Uiso 1 1 calc R A . H17D H 0.2762 0.3101 0.8722 0.040 Uiso 1 1 calc R . . C174 C 0.1744(4) 0.28554(12) 0.8101(2) 0.0465(15) Uani 1 1 d . A . H17E H 0.1207 0.2770 0.8410 0.056 Uiso 1 1 calc R . . H17F H 0.1426 0.3059 0.7932 0.056 Uiso 1 1 calc R . . C175 C 0.1878(5) 0.26092(13) 0.7589(3) 0.0607(18) Uani 1 1 d . . . H17G H 0.2124 0.2398 0.7763 0.073 Uiso 1 1 calc R A . H17H H 0.1141 0.2576 0.7383 0.073 Uiso 1 1 calc R . . C176 C 0.2731(5) 0.27246(13) 0.7131(2) 0.0542(16) Uani 1 1 d U A . H17I H 0.2452 0.2926 0.6934 0.065 Uiso 1 1 calc R . . H17J H 0.2823 0.2558 0.6808 0.065 Uiso 1 1 calc R . . C177 C 0.3875(5) 0.27916(12) 0.7428(2) 0.0446(15) Uani 1 1 d . . . H17K H 0.4404 0.2876 0.7114 0.053 Uiso 1 1 calc R A . H17L H 0.4190 0.2586 0.7590 0.053 Uiso 1 1 calc R . . C76 C 0.6189(9) 0.3262(4) 0.7753(7) 0.0314(9) Uani 0.542(5) 1 d PU A 1 H76 H 0.6232 0.3076 0.7458 0.038 Uiso 0.542(5) 1 calc PR A 1 C77 C 0.5872(8) 0.3558(3) 0.7365(5) 0.0314(9) Uani 0.542(5) 1 d PU A 1 H77A H 0.5870 0.3754 0.7629 0.038 Uiso 0.542(5) 1 calc PR A 1 H77B H 0.5097 0.3528 0.7203 0.038 Uiso 0.542(5) 1 calc PR A 1 C78 C 0.6687(8) 0.3611(2) 0.6830(4) 0.0314(9) Uani 0.542(5) 1 d PU A 1 H78A H 0.6485 0.3811 0.6605 0.038 Uiso 0.542(5) 1 calc PR A 1 H78B H 0.6648 0.3425 0.6542 0.038 Uiso 0.542(5) 1 calc PR A 1 C79 C 0.7929(8) 0.3641(2) 0.7109(4) 0.0314(9) Uani 0.542(5) 1 d PU A 1 H79A H 0.8478 0.3664 0.6769 0.038 Uiso 0.542(5) 1 calc PR A 1 H79B H 0.7973 0.3840 0.7363 0.038 Uiso 0.542(5) 1 calc PR A 1 C80 C 0.8261(8) 0.3346(2) 0.7503(4) 0.0314(9) Uani 0.542(5) 1 d P A 1 H80A H 0.8282 0.3149 0.7243 0.038 Uiso 0.542(5) 1 calc PR A 1 H80B H 0.9026 0.3380 0.7676 0.038 Uiso 0.542(5) 1 calc PR A 1 C81 C 0.7413(9) 0.3297(3) 0.8026(4) 0.0314(9) Uani 0.542(5) 1 d PU A 1 H81A H 0.7442 0.3484 0.8309 0.038 Uiso 0.542(5) 1 calc PR A 1 H81B H 0.7610 0.3098 0.8260 0.038 Uiso 0.542(5) 1 calc PR A 1 C211 C 0.5898(10) 0.3252(4) 0.7706(8) 0.0314(9) Uani 0.458(5) 1 d P A 2 H211 H 0.5885 0.3056 0.7435 0.038 Uiso 0.458(5) 1 calc PR A 2 C212 C 0.5400(10) 0.3531(3) 0.7289(6) 0.0314(9) Uani 0.458(5) 1 d P A 2 H21C H 0.4590 0.3488 0.7210 0.038 Uiso 0.458(5) 1 calc PR A 2 H21D H 0.5462 0.3741 0.7506 0.038 Uiso 0.458(5) 1 calc PR A 2 C213 C 0.6024(9) 0.3550(3) 0.6687(5) 0.0314(9) Uani 0.458(5) 1 d P A 2 H21E H 0.5729 0.3733 0.6437 0.038 Uiso 0.458(5) 1 calc PR A 2 H21F H 0.5927 0.3346 0.6453 0.038 Uiso 0.458(5) 1 calc PR A 2 C214 C 0.7300(10) 0.3606(3) 0.6841(5) 0.0314(9) Uani 0.458(5) 1 d P A 2 H21G H 0.7730 0.3625 0.6453 0.038 Uiso 0.458(5) 1 calc PR A 2 H21H H 0.7379 0.3815 0.7064 0.038 Uiso 0.458(5) 1 calc PR A 2 C215 C 0.7806(10) 0.3340(3) 0.7222(5) 0.0314(9) Uani 0.458(5) 1 d P A 2 H21I H 0.8606 0.3391 0.7315 0.038 Uiso 0.458(5) 1 calc PR A 2 H21J H 0.7782 0.3132 0.6993 0.038 Uiso 0.458(5) 1 calc PR A 2 C216 C 0.7125(11) 0.3308(3) 0.7826(5) 0.0314(9) Uani 0.458(5) 1 d P A 2 H21K H 0.7430 0.3125 0.8069 0.038 Uiso 0.458(5) 1 calc PR A 2 H21L H 0.7217 0.3509 0.8070 0.038 Uiso 0.458(5) 1 calc PR A 2 P81 P 0.58710(9) 0.27937(2) 0.99720(5) 0.0144(2) Uani 1 1 d . . . C82 C 0.5507(3) 0.24026(9) 1.03322(18) 0.0174(10) Uani 1 1 d . A . H82 H 0.6196 0.2266 1.0269 0.021 Uiso 1 1 calc R . . C83 C 0.5308(4) 0.23902(10) 1.10230(19) 0.0273(11) Uani 1 1 d . . . H83A H 0.4586 0.2500 1.1122 0.033 Uiso 1 1 calc R A . H83B H 0.5924 0.2507 1.1236 0.033 Uiso 1 1 calc R . . C84 C 0.5267(5) 0.20373(12) 1.1249(2) 0.0427(14) Uani 1 1 d . A . H84A H 0.6015 0.1934 1.1188 0.051 Uiso 1 1 calc R . . H84B H 0.5095 0.2034 1.1693 0.051 Uiso 1 1 calc R . . C85 C 0.4372(5) 0.18444(12) 1.0904(2) 0.0475(15) Uani 1 1 d . . . H85A H 0.4402 0.1614 1.1035 0.057 Uiso 1 1 calc R A . H85B H 0.3614 0.1930 1.1008 0.057 Uiso 1 1 calc R . . C86 C 0.4539(4) 0.18626(10) 1.0217(2) 0.0323(12) Uani 1 1 d . A . H86A H 0.3917 0.1745 1.0009 0.039 Uiso 1 1 calc R . . H86B H 0.5258 0.1755 1.0106 0.039 Uiso 1 1 calc R . . C87 C 0.4562(4) 0.22139(10) 0.9997(2) 0.0236(10) Uani 1 1 d . . . H87A H 0.3823 0.2318 1.0079 0.028 Uiso 1 1 calc R A . H87B H 0.4698 0.2220 0.9549 0.028 Uiso 1 1 calc R . . C88 C 0.4826(3) 0.30979(9) 1.02537(17) 0.0150(9) Uani 1 1 d . A . H88 H 0.4966 0.3298 1.0004 0.018 Uiso 1 1 calc R . . C89 C 0.4841(4) 0.32121(10) 1.09229(19) 0.0226(10) Uani 1 1 d . . . H89A H 0.5606 0.3291 1.1030 0.027 Uiso 1 1 calc R A . H89B H 0.4655 0.3028 1.1197 0.027 Uiso 1 1 calc R . . C90 C 0.3978(4) 0.34864(11) 1.1016(2) 0.0270(11) Uani 1 1 d . A . H90A H 0.3977 0.3552 1.1453 0.032 Uiso 1 1 calc R . . H90B H 0.4205 0.3677 1.0768 0.032 Uiso 1 1 calc R . . C91 C 0.2797(4) 0.33824(11) 1.0833(2) 0.0317(12) Uani 1 1 d . . . H91A H 0.2538 0.3207 1.1111 0.038 Uiso 1 1 calc R A . H91B H 0.2275 0.3569 1.0879 0.038 Uiso 1 1 calc R . . C92 C 0.2756(4) 0.32621(11) 1.0179(2) 0.0300(12) Uani 1 1 d . A . H92A H 0.2922 0.3444 0.9896 0.036 Uiso 1 1 calc R . . H92B H 0.1989 0.3180 1.0085 0.036 Uiso 1 1 calc R . . C93 C 0.3627(3) 0.29887(10) 1.00833(19) 0.0220(10) Uani 1 1 d . . . H93A H 0.3415 0.2799 1.0338 0.026 Uiso 1 1 calc R A . H93B H 0.3615 0.2920 0.9648 0.026 Uiso 1 1 calc R . . C94 C 0.7163(3) 0.29165(10) 1.04001(19) 0.0192(10) Uani 1 1 d . A . H94 H 0.6927 0.2962 1.0832 0.023 Uiso 1 1 calc R . . C95 C 0.7650(3) 0.32350(10) 1.0140(2) 0.0245(11) Uani 1 1 d . . . H95A H 0.7861 0.3201 0.9706 0.029 Uiso 1 1 calc R A . H95B H 0.7059 0.3405 1.0154 0.029 Uiso 1 1 calc R . . C96 C 0.8678(4) 0.33518(11) 1.0493(2) 0.0349(13) Uani 1 1 d . A . H96A H 0.8455 0.3407 1.0918 0.042 Uiso 1 1 calc R . . H96B H 0.8982 0.3550 1.0297 0.042 Uiso 1 1 calc R . . C97 C 0.9594(4) 0.30877(12) 1.0505(2) 0.0372(13) Uani 1 1 d U . . H97A H 0.9870 0.3048 1.0083 0.045 Uiso 1 1 calc R A . H97B H 1.0241 0.3163 1.0756 0.045 Uiso 1 1 calc R . . C98 C 0.9131(4) 0.27760(12) 1.0770(2) 0.0367(13) Uani 1 1 d . A . H98A H 0.8931 0.2812 1.1205 0.044 Uiso 1 1 calc R . . H98B H 0.9728 0.2607 1.0756 0.044 Uiso 1 1 calc R . . C99 C 0.8092(4) 0.26520(10) 1.0428(2) 0.0268(11) Uani 1 1 d . . . H99A H 0.7792 0.2457 1.0638 0.032 Uiso 1 1 calc R A . H99B H 0.8308 0.2589 1.0006 0.032 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Pt1 0.01061(9) 0.01353(8) 0.01449(9) -0.00089(7) -0.00166(7) -0.00028(6) B2 0.010(3) 0.020(3) 0.020(3) 0.003(2) 0.000(2) -0.006(2) O3 0.0252(17) 0.0190(15) 0.0112(15) -0.0019(12) -0.0060(13) -0.0007(12) C4 0.043(3) 0.031(3) 0.015(2) 0.001(2) -0.002(2) -0.005(2) O5 0.0221(17) 0.0150(15) 0.0199(16) -0.0030(12) -0.0018(13) 0.0020(12) C6 0.031(3) 0.016(2) 0.026(3) 0.0000(19) 0.001(2) 0.008(2) B7 0.015(3) 0.029(3) 0.015(3) -0.004(2) -0.002(2) -0.004(2) O8 0.0193(17) 0.0208(16) 0.0261(17) -0.0003(13) -0.0049(14) -0.0071(13) C9 0.030(3) 0.029(3) 0.032(3) 0.002(2) -0.002(2) -0.015(2) O10 0.0160(17) 0.0261(17) 0.0227(17) -0.0029(13) -0.0041(14) -0.0036(13) C11 0.018(3) 0.040(3) 0.031(3) 0.004(2) -0.002(2) 0.002(2) P12 0.0128(6) 0.0145(5) 0.0176(6) 0.0000(4) -0.0006(5) 0.0001(4) C13 0.010(2) 0.022(2) 0.021(2) -0.0021(18) 0.0046(19) 0.0025(17) C14 0.013(2) 0.028(2) 0.020(2) -0.0010(19) 0.002(2) 0.0025(19) C15 0.021(3) 0.036(3) 0.034(3) 0.000(2) 0.002(2) 0.010(2) C16 0.021(3) 0.036(3) 0.036(3) -0.004(2) 0.008(2) 0.007(2) C17 0.022(3) 0.030(3) 0.030(3) -0.004(2) 0.009(2) 0.002(2) C18 0.018(2) 0.026(2) 0.023(2) -0.002(2) 0.001(2) 0.0006(19) C19 0.029(3) 0.022(2) 0.012(2) -0.0025(18) -0.008(2) -0.0036(19) C20 0.045(3) 0.028(3) 0.027(3) 0.003(2) -0.005(2) -0.014(2) C21 0.084(5) 0.031(3) 0.032(3) 0.013(2) -0.006(3) -0.022(3) C22 0.106(5) 0.020(3) 0.038(3) 0.009(2) -0.028(3) 0.002(3) C23 0.058(4) 0.032(3) 0.035(3) -0.001(2) -0.022(3) 0.015(3) C24 0.034(3) 0.022(2) 0.029(3) 0.000(2) -0.012(2) 0.010(2) C25 0.014(2) 0.019(2) 0.016(2) -0.0016(17) -0.0060(19) -0.0007(17) C26 0.013(2) 0.023(2) 0.028(3) -0.0037(19) -0.003(2) -0.0040(18) C27 0.023(3) 0.021(2) 0.027(3) -0.003(2) -0.010(2) -0.0055(19) C28 0.032(3) 0.024(2) 0.022(3) -0.004(2) -0.011(2) -0.005(2) C29 0.034(3) 0.024(2) 0.022(3) -0.004(2) -0.002(2) 0.001(2) C30 0.021(3) 0.021(2) 0.018(2) -0.0012(18) 0.003(2) -0.0034(19) P31 0.0132(6) 0.0164(5) 0.0141(6) -0.0006(4) -0.0007(5) -0.0009(4) C32 0.012(2) 0.022(2) 0.016(2) -0.0005(18) -0.0055(19) -0.0072(18) C33 0.023(3) 0.025(2) 0.024(3) 0.006(2) -0.007(2) -0.007(2) C34 0.026(3) 0.026(3) 0.042(3) 0.014(2) -0.019(2) -0.011(2) C35 0.050(4) 0.039(3) 0.029(3) 0.014(2) -0.024(3) -0.022(3) C36 0.047(3) 0.041(3) 0.017(3) -0.001(2) -0.006(2) -0.013(3) C37 0.036(3) 0.028(3) 0.021(3) 0.000(2) -0.001(2) -0.012(2) C38 0.019(2) 0.020(2) 0.013(2) -0.0008(18) 0.0027(19) 0.0020(18) C39 0.025(3) 0.021(2) 0.028(3) -0.001(2) 0.005(2) 0.0006(19) C40 0.021(3) 0.030(3) 0.048(3) -0.007(2) 0.009(2) 0.006(2) C41 0.025(3) 0.030(3) 0.052(3) -0.003(2) 0.012(3) 0.007(2) C42 0.013(2) 0.033(3) 0.036(3) -0.006(2) 0.009(2) 0.001(2) C43 0.018(3) 0.028(3) 0.025(3) -0.002(2) 0.002(2) -0.0032(19) C44 0.013(2) 0.021(2) 0.023(2) 0.0007(19) 0.001(2) -0.0048(18) C45 0.019(3) 0.023(2) 0.023(3) 0.0030(19) -0.001(2) -0.0046(19) C46 0.021(3) 0.024(2) 0.029(3) 0.012(2) -0.004(2) -0.009(2) C47 0.023(3) 0.022(2) 0.043(3) 0.009(2) -0.003(2) -0.006(2) C48 0.025(3) 0.019(2) 0.035(3) -0.002(2) 0.000(2) -0.0009(19) C49 0.014(2) 0.027(2) 0.022(2) 0.0045(19) -0.003(2) -0.0019(19) Pt50 0.01518(10) 0.01374(8) 0.01592(9) -0.00079(7) 0.00203(7) 0.00168(7) B51 0.031(3) 0.019(3) 0.023(3) -0.003(2) -0.001(3) 0.009(2) O52 0.0342(19) 0.0260(17) 0.0263(18) -0.0057(14) 0.0147(16) 0.0034(14) C53 0.054(4) 0.044(3) 0.018(3) -0.006(2) 0.013(2) 0.015(3) O54 0.037(2) 0.0244(17) 0.0218(18) -0.0077(14) 0.0002(15) -0.0007(14) C55 0.031(3) 0.027(3) 0.023(3) -0.006(2) -0.009(2) -0.005(2) B56 0.018(3) 0.023(3) 0.023(3) -0.006(2) -0.005(2) 0.004(2) O57 0.0224(17) 0.0164(16) 0.0335(19) -0.0003(13) -0.0062(15) 0.0044(13) C58 0.038(3) 0.017(2) 0.046(3) 0.003(2) -0.005(3) 0.009(2) O59 0.0170(18) 0.0230(17) 0.041(2) -0.0090(14) -0.0021(15) 0.0043(13) C60 0.020(3) 0.037(3) 0.055(4) -0.011(3) 0.010(3) -0.005(2) P63 0.0333(7) 0.0165(6) 0.0147(6) 0.0011(5) 0.0036(5) 0.0061(5) C64 0.026(3) 0.016(2) 0.015(2) 0.0030(17) 0.002(2) 0.0034(18) C65 0.030(3) 0.018(2) 0.032(3) 0.004(2) 0.008(2) 0.004(2) C66 0.046(3) 0.029(3) 0.024(3) -0.006(2) -0.005(2) 0.000(2) C67 0.052(4) 0.022(3) 0.044(3) -0.009(2) 0.005(3) 0.009(2) C68 0.051(4) 0.025(3) 0.054(4) -0.011(3) -0.007(3) 0.018(2) C69 0.038(3) 0.025(3) 0.030(3) 0.001(2) -0.005(2) 0.004(2) C172 0.051(3) 0.020(2) 0.023(3) 0.002(2) -0.014(2) 0.011(2) C173 0.048(3) 0.022(3) 0.029(3) 0.002(2) -0.020(3) 0.002(2) C174 0.049(4) 0.036(3) 0.055(4) 0.002(3) -0.030(3) -0.008(3) C175 0.088(5) 0.044(4) 0.050(4) 0.002(3) -0.047(4) -0.008(3) C176 0.078(4) 0.047(3) 0.038(3) 0.001(2) -0.030(3) 0.004(3) C177 0.076(4) 0.031(3) 0.027(3) -0.002(2) -0.017(3) 0.010(3) C76 0.035(2) 0.0318(11) 0.0277(15) 0.0055(11) 0.0079(16) -0.0007(15) C77 0.035(2) 0.0318(11) 0.0277(15) 0.0055(11) 0.0079(16) -0.0007(15) C78 0.035(2) 0.0318(11) 0.0277(15) 0.0055(11) 0.0079(16) -0.0007(15) C79 0.035(2) 0.0318(11) 0.0277(15) 0.0055(11) 0.0079(16) -0.0007(15) C80 0.035(2) 0.0318(11) 0.0277(15) 0.0055(11) 0.0079(16) -0.0007(15) C81 0.035(2) 0.0318(11) 0.0277(15) 0.0055(11) 0.0079(16) -0.0007(15) C211 0.035(2) 0.0318(11) 0.0277(15) 0.0055(11) 0.0079(16) -0.0007(15) C212 0.035(2) 0.0318(11) 0.0277(15) 0.0055(11) 0.0079(16) -0.0007(15) C213 0.035(2) 0.0318(11) 0.0277(15) 0.0055(11) 0.0079(16) -0.0007(15) C214 0.035(2) 0.0318(11) 0.0277(15) 0.0055(11) 0.0079(16) -0.0007(15) C215 0.035(2) 0.0318(11) 0.0277(15) 0.0055(11) 0.0079(16) -0.0007(15) C216 0.035(2) 0.0318(11) 0.0277(15) 0.0055(11) 0.0079(16) -0.0007(15) P81 0.0119(6) 0.0170(6) 0.0145(6) 0.0009(4) -0.0007(5) -0.0004(4) C82 0.015(2) 0.016(2) 0.021(2) -0.0008(18) 0.0002(19) 0.0024(17) C83 0.033(3) 0.028(3) 0.020(3) 0.001(2) -0.004(2) -0.011(2) C84 0.063(4) 0.039(3) 0.026(3) 0.012(2) -0.005(3) -0.011(3) C85 0.064(4) 0.034(3) 0.045(4) 0.019(3) 0.000(3) -0.020(3) C86 0.034(3) 0.025(3) 0.038(3) 0.005(2) -0.009(2) -0.015(2) C87 0.025(3) 0.024(2) 0.021(3) -0.0001(19) -0.004(2) -0.009(2) C88 0.014(2) 0.020(2) 0.011(2) -0.0004(17) -0.0026(18) -0.0037(17) C89 0.022(3) 0.025(2) 0.021(2) -0.0013(19) 0.000(2) -0.0017(19) C90 0.030(3) 0.031(3) 0.020(3) -0.009(2) 0.003(2) 0.005(2) C91 0.022(3) 0.040(3) 0.033(3) -0.003(2) 0.011(2) 0.008(2) C92 0.017(3) 0.049(3) 0.025(3) -0.005(2) 0.001(2) 0.006(2) C93 0.014(2) 0.036(3) 0.015(2) 0.000(2) -0.001(2) -0.002(2) C94 0.011(2) 0.023(2) 0.023(2) -0.0024(19) -0.0033(19) 0.0015(18) C95 0.015(2) 0.029(3) 0.030(3) -0.007(2) 0.004(2) -0.0061(19) C96 0.018(3) 0.042(3) 0.045(3) -0.013(2) 0.004(2) -0.015(2) C97 0.016(2) 0.049(3) 0.046(3) -0.020(2) 0.001(2) -0.006(2) C98 0.012(3) 0.054(3) 0.044(3) -0.023(3) -0.009(2) 0.008(2) C99 0.022(3) 0.026(3) 0.033(3) -0.007(2) -0.009(2) 0.007(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. Disorderd cyclohexyl group was disorder and treated with EADP for all C atoms. ; 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 B2 2.093(5) . ? Pt1 B7 2.108(5) . ? Pt1 P12 2.3723(10) . ? Pt1 P31 2.3724(10) . ? B2 O5 1.383(5) . ? B2 O3 1.384(5) . ? O3 C4 1.433(5) . ? C4 H4A 0.9800 . ? C4 H4B 0.9800 . ? C4 H4C 0.9800 . ? O5 C6 1.420(5) . ? C6 H6A 0.9800 . ? C6 H6B 0.9800 . ? C6 H6C 0.9800 . ? B7 O8 1.369(5) . ? B7 O10 1.376(6) . ? O8 C9 1.429(5) . ? C9 H9A 0.9800 . ? C9 H9B 0.9800 . ? C9 H9C 0.9800 . ? O10 C11 1.426(5) . ? C11 H11A 0.9800 . ? C11 H11B 0.9800 . ? C11 H11C 0.9800 . ? P12 C19 1.856(4) . ? P12 C13 1.868(4) . ? P12 C25 1.873(4) . ? C13 C18 1.526(5) . ? C13 C14 1.534(5) . ? C13 H13 1.0000 . ? C14 C15 1.543(6) . ? C14 H14A 0.9900 . ? C14 H14B 0.9900 . ? C15 C16 1.525(6) . ? C15 H15A 0.9900 . ? C15 H15B 0.9900 . ? C16 C17 1.519(6) . ? C16 H16A 0.9900 . ? C16 H16B 0.9900 . ? C17 C18 1.531(5) . ? C17 H17A 0.9900 . ? C17 H17B 0.9900 . ? C18 H18A 0.9900 . ? C18 H18B 0.9900 . ? C19 C20 1.545(6) . ? C19 C24 1.548(6) . ? C19 H19 1.0000 . ? C20 C21 1.520(6) . ? C20 H20A 0.9900 . ? C20 H20B 0.9900 . ? C21 C22 1.523(7) . ? C21 H21A 0.9900 . ? C21 H21B 0.9900 . ? C22 C23 1.529(7) . ? C22 H22A 0.9900 . ? C22 H22B 0.9900 . ? C23 C24 1.515(6) . ? C23 H23A 0.9900 . ? C23 H23B 0.9900 . ? C24 H24A 0.9900 . ? C24 H24B 0.9900 . ? C25 C30 1.521(5) . ? C25 C26 1.539(5) . ? C25 H25 1.0000 . ? C26 C27 1.528(5) . ? C26 H26A 0.9900 . ? C26 H26B 0.9900 . ? C27 C28 1.527(6) . ? C27 H27A 0.9900 . ? C27 H27B 0.9900 . ? C28 C29 1.513(6) . ? C28 H28A 0.9900 . ? C28 H28B 0.9900 . ? C29 C30 1.523(5) . ? C29 H29A 0.9900 . ? C29 H29B 0.9900 . ? C30 H30A 0.9900 . ? C30 H30B 0.9900 . ? P31 C38 1.852(4) . ? P31 C44 1.871(4) . ? P31 C32 1.882(4) . ? C32 C33 1.535(6) . ? C32 C37 1.537(6) . ? C32 H32 1.0000 . ? C33 C34 1.535(6) . ? C33 H33A 0.9900 . ? C33 H33B 0.9900 . ? C34 C35 1.519(6) . ? C34 H34A 0.9900 . ? C34 H34B 0.9900 . ? C35 C36 1.502(7) . ? C35 H35A 0.9900 . ? C35 H35B 0.9900 . ? C36 C37 1.527(6) . ? C36 H36A 0.9900 . ? C36 H36B 0.9900 . ? C37 H37A 0.9900 . ? C37 H37B 0.9900 . ? C38 C43 1.539(6) . ? C38 C39 1.544(5) . ? C38 H38 1.0000 . ? C39 C40 1.521(6) . ? C39 H39A 0.9900 . ? C39 H39B 0.9900 . ? C40 C41 1.519(6) . ? C40 H40A 0.9900 . ? C40 H40B 0.9900 . ? C41 C42 1.523(6) . ? C41 H41A 0.9900 . ? C41 H41B 0.9900 . ? C42 C43 1.528(5) . ? C42 H42A 0.9900 . ? C42 H42B 0.9900 . ? C43 H43A 0.9900 . ? C43 H43B 0.9900 . ? C44 C49 1.530(5) . ? C44 C45 1.532(5) . ? C44 H44 1.0000 . ? C45 C46 1.522(5) . ? C45 H45A 0.9900 . ? C45 H45B 0.9900 . ? C46 C47 1.518(6) . ? C46 H46A 0.9900 . ? C46 H46B 0.9900 . ? C47 C48 1.539(6) . ? C47 H47A 0.9900 . ? C47 H47B 0.9900 . ? C48 C49 1.519(5) . ? C48 H48A 0.9900 . ? C48 H48B 0.9900 . ? C49 H49A 0.9900 . ? C49 H49B 0.9900 . ? Pt50 B56 2.096(5) . ? Pt50 B51 2.096(5) . ? Pt50 P63 2.3664(11) . ? Pt50 P81 2.3750(11) . ? B51 O54 1.376(6) . ? B51 O52 1.385(6) . ? O52 C53 1.431(5) . ? C53 H53A 0.9800 . ? C53 H53B 0.9800 . ? C53 H53C 0.9800 . ? O54 C55 1.416(5) . ? C55 H55A 0.9800 . ? C55 H55B 0.9800 . ? C55 H55C 0.9800 . ? B56 O57 1.376(6) . ? B56 O59 1.379(6) . ? O57 C58 1.422(5) . ? C58 H58A 0.9800 . ? C58 H58B 0.9800 . ? C58 H58C 0.9800 . ? O59 C60 1.425(5) . ? C60 H60A 0.9800 . ? C60 H60B 0.9800 . ? C60 H60C 0.9800 . ? P63 C211 1.773(16) . ? P63 C172 1.852(5) . ? P63 C64 1.872(4) . ? P63 C76 1.914(13) . ? C64 C65 1.523(6) . ? C64 C69 1.540(6) . ? C64 H64 1.0000 . ? C65 C66 1.521(6) . ? C65 H65A 0.9900 . ? C65 H65B 0.9900 . ? C66 C67 1.532(6) . ? C66 H66A 0.9900 . ? C66 H66B 0.9900 . ? C67 C68 1.537(7) . ? C67 H67A 0.9900 . ? C67 H67B 0.9900 . ? C68 C69 1.529(6) . ? C68 H68A 0.9900 . ? C68 H68B 0.9900 . ? C69 H69A 0.9900 . ? C69 H69B 0.9900 . ? C172 C177 1.534(6) . ? C172 C173 1.534(6) . ? C172 H172 1.0000 . ? C173 C174 1.527(6) . ? C173 H17C 0.9900 . ? C173 H17D 0.9900 . ? C174 C175 1.515(7) . ? C174 H17E 0.9900 . ? C174 H17F 0.9900 . ? C175 C176 1.498(8) . ? C175 H17G 0.9900 . ? C175 H17H 0.9900 . ? C176 C177 1.525(7) . ? C176 H17I 0.9900 . ? C176 H17J 0.9900 . ? C177 H17K 0.9900 . ? C177 H17L 0.9900 . ? C76 C77 1.528(16) . ? C76 C81 1.571(14) . ? C76 H76 1.0000 . ? C77 C78 1.530(13) . ? C77 H77A 0.9900 . ? C77 H77B 0.9900 . ? C78 C79 1.596(13) . ? C78 H78A 0.9900 . ? C78 H78B 0.9900 . ? C79 C80 1.539(12) . ? C79 H79A 0.9900 . ? C79 H79B 0.9900 . ? C80 C81 1.533(12) . ? C80 H80A 0.9900 . ? C80 H80B 0.9900 . ? C81 H81A 0.9900 . ? C81 H81B 0.9900 . ? C211 C216 1.494(17) . ? C211 C212 1.576(18) . ? C211 H211 1.0000 . ? C212 C213 1.508(15) . ? C212 H21C 0.9900 . ? C212 H21D 0.9900 . ? C213 C214 1.564(15) . ? C213 H21E 0.9900 . ? C213 H21F 0.9900 . ? C214 C215 1.500(15) . ? C214 H21G 0.9900 . ? C214 H21H 0.9900 . ? C215 C216 1.549(15) . ? C215 H21I 0.9900 . ? C215 H21J 0.9900 . ? C216 H21K 0.9900 . ? C216 H21L 0.9900 . ? P81 C82 1.842(4) . ? P81 C94 1.861(4) . ? P81 C88 1.864(4) . ? C82 C83 1.525(6) . ? C82 C87 1.544(6) . ? C82 H82 1.0000 . ? C83 C84 1.534(6) . ? C83 H83A 0.9900 . ? C83 H83B 0.9900 . ? C84 C85 1.523(7) . ? C84 H84A 0.9900 . ? C84 H84B 0.9900 . ? C85 C86 1.512(6) . ? C85 H85A 0.9900 . ? C85 H85B 0.9900 . ? C86 C87 1.523(5) . ? C86 H86A 0.9900 . ? C86 H86B 0.9900 . ? C87 H87A 0.9900 . ? C87 H87B 0.9900 . ? C88 C93 1.533(5) . ? C88 C89 1.533(5) . ? C88 H88 1.0000 . ? C89 C90 1.535(6) . ? C89 H89A 0.9900 . ? C89 H89B 0.9900 . ? C90 C91 1.515(6) . ? C90 H90A 0.9900 . ? C90 H90B 0.9900 . ? C91 C92 1.510(6) . ? C91 H91A 0.9900 . ? C91 H91B 0.9900 . ? C92 C93 1.540(6) . ? C92 H92A 0.9900 . ? C92 H92B 0.9900 . ? C93 H93A 0.9900 . ? C93 H93B 0.9900 . ? C94 C95 1.539(5) . ? C94 C99 1.547(5) . ? C94 H94 1.0000 . ? C95 C96 1.517(6) . ? C95 H95A 0.9900 . ? C95 H95B 0.9900 . ? C96 C97 1.536(6) . ? C96 H96A 0.9900 . ? C96 H96B 0.9900 . ? C97 C98 1.509(7) . ? C97 H97A 0.9900 . ? C97 H97B 0.9900 . ? C98 C99 1.527(6) . ? C98 H98A 0.9900 . ? C98 H98B 0.9900 . ? C99 H99A 0.9900 . ? C99 H99B 0.9900 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag B2 Pt1 B7 71.39(18) . . ? B2 Pt1 P12 89.76(12) . . ? B7 Pt1 P12 159.08(13) . . ? B2 Pt1 P31 159.52(12) . . ? B7 Pt1 P31 90.35(13) . . ? P12 Pt1 P31 109.58(4) . . ? O5 B2 O3 113.0(4) . . ? O5 B2 Pt1 126.3(3) . . ? O3 B2 Pt1 120.6(3) . . ? B2 O3 C4 121.1(3) . . ? O3 C4 H4A 109.5 . . ? O3 C4 H4B 109.5 . . ? H4A C4 H4B 109.5 . . ? O3 C4 H4C 109.5 . . ? H4A C4 H4C 109.5 . . ? H4B C4 H4C 109.5 . . ? B2 O5 C6 122.3(3) . . ? O5 C6 H6A 109.5 . . ? O5 C6 H6B 109.5 . . ? H6A C6 H6B 109.5 . . ? O5 C6 H6C 109.5 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? O8 B7 O10 113.9(4) . . ? O8 B7 Pt1 120.1(3) . . ? O10 B7 Pt1 125.9(3) . . ? B7 O8 C9 122.4(3) . . ? O8 C9 H9A 109.5 . . ? O8 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? O8 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? B7 O10 C11 123.0(3) . . ? O10 C11 H11A 109.5 . . ? O10 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? O10 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? C19 P12 C13 101.11(19) . . ? C19 P12 C25 107.01(18) . . ? C13 P12 C25 101.77(18) . . ? C19 P12 Pt1 108.70(14) . . ? C13 P12 Pt1 118.11(13) . . ? C25 P12 Pt1 118.36(13) . . ? C18 C13 C14 110.9(3) . . ? C18 C13 P12 113.4(3) . . ? C14 C13 P12 110.6(3) . . ? C18 C13 H13 107.2 . . ? C14 C13 H13 107.2 . . ? P12 C13 H13 107.2 . . ? C13 C14 C15 111.0(3) . . ? C13 C14 H14A 109.4 . . ? C15 C14 H14A 109.4 . . ? C13 C14 H14B 109.4 . . ? C15 C14 H14B 109.4 . . ? H14A C14 H14B 108.0 . . ? C16 C15 C14 110.9(4) . . ? C16 C15 H15A 109.4 . . ? C14 C15 H15A 109.4 . . ? C16 C15 H15B 109.4 . . ? C14 C15 H15B 109.4 . . ? H15A C15 H15B 108.0 . . ? C17 C16 C15 111.3(4) . . ? C17 C16 H16A 109.4 . . ? C15 C16 H16A 109.4 . . ? C17 C16 H16B 109.4 . . ? C15 C16 H16B 109.4 . . ? H16A C16 H16B 108.0 . . ? C16 C17 C18 111.4(4) . . ? C16 C17 H17A 109.3 . . ? C18 C17 H17A 109.3 . . ? C16 C17 H17B 109.3 . . ? C18 C17 H17B 109.3 . . ? H17A C17 H17B 108.0 . . ? C13 C18 C17 110.8(3) . . ? C13 C18 H18A 109.5 . . ? C17 C18 H18A 109.5 . . ? C13 C18 H18B 109.5 . . ? C17 C18 H18B 109.5 . . ? H18A C18 H18B 108.1 . . ? C20 C19 C24 110.3(4) . . ? C20 C19 P12 117.9(3) . . ? C24 C19 P12 114.6(3) . . ? C20 C19 H19 104.1 . . ? C24 C19 H19 104.1 . . ? P12 C19 H19 104.1 . . ? C21 C20 C19 109.1(4) . . ? C21 C20 H20A 109.9 . . ? C19 C20 H20A 109.9 . . ? C21 C20 H20B 109.9 . . ? C19 C20 H20B 109.9 . . ? H20A C20 H20B 108.3 . . ? C20 C21 C22 112.0(4) . . ? C20 C21 H21A 109.2 . . ? C22 C21 H21A 109.2 . . ? C20 C21 H21B 109.2 . . ? C22 C21 H21B 109.2 . . ? H21A C21 H21B 107.9 . . ? C21 C22 C23 111.5(4) . . ? C21 C22 H22A 109.3 . . ? C23 C22 H22A 109.3 . . ? C21 C22 H22B 109.3 . . ? C23 C22 H22B 109.3 . . ? H22A C22 H22B 108.0 . . ? C24 C23 C22 111.6(4) . . ? C24 C23 H23A 109.3 . . ? C22 C23 H23A 109.3 . . ? C24 C23 H23B 109.3 . . ? C22 C23 H23B 109.3 . . ? H23A C23 H23B 108.0 . . ? C23 C24 C19 110.1(4) . . ? C23 C24 H24A 109.6 . . ? C19 C24 H24A 109.6 . . ? C23 C24 H24B 109.6 . . ? C19 C24 H24B 109.6 . . ? H24A C24 H24B 108.2 . . ? C30 C25 C26 109.4(3) . . ? C30 C25 P12 109.7(3) . . ? C26 C25 P12 120.1(3) . . ? C30 C25 H25 105.5 . . ? C26 C25 H25 105.5 . . ? P12 C25 H25 105.5 . . ? C27 C26 C25 111.2(3) . . ? C27 C26 H26A 109.4 . . ? C25 C26 H26A 109.4 . . ? C27 C26 H26B 109.4 . . ? C25 C26 H26B 109.4 . . ? H26A C26 H26B 108.0 . . ? C28 C27 C26 112.1(3) . . ? C28 C27 H27A 109.2 . . ? C26 C27 H27A 109.2 . . ? C28 C27 H27B 109.2 . . ? C26 C27 H27B 109.2 . . ? H27A C27 H27B 107.9 . . ? C29 C28 C27 110.7(3) . . ? C29 C28 H28A 109.5 . . ? C27 C28 H28A 109.5 . . ? C29 C28 H28B 109.5 . . ? C27 C28 H28B 109.5 . . ? H28A C28 H28B 108.1 . . ? C28 C29 C30 110.7(4) . . ? C28 C29 H29A 109.5 . . ? C30 C29 H29A 109.5 . . ? C28 C29 H29B 109.5 . . ? C30 C29 H29B 109.5 . . ? H29A C29 H29B 108.1 . . ? C25 C30 C29 112.7(3) . . ? C25 C30 H30A 109.1 . . ? C29 C30 H30A 109.1 . . ? C25 C30 H30B 109.1 . . ? C29 C30 H30B 109.1 . . ? H30A C30 H30B 107.8 . . ? C38 P31 C44 103.19(18) . . ? C38 P31 C32 99.49(18) . . ? C44 P31 C32 107.16(19) . . ? C38 P31 Pt1 117.57(14) . . ? C44 P31 Pt1 108.22(13) . . ? C32 P31 Pt1 119.64(13) . . ? C33 C32 C37 110.1(3) . . ? C33 C32 P31 109.8(3) . . ? C37 C32 P31 119.0(3) . . ? C33 C32 H32 105.7 . . ? C37 C32 H32 105.7 . . ? P31 C32 H32 105.7 . . ? C34 C33 C32 111.9(4) . . ? C34 C33 H33A 109.2 . . ? C32 C33 H33A 109.2 . . ? C34 C33 H33B 109.2 . . ? C32 C33 H33B 109.2 . . ? H33A C33 H33B 107.9 . . ? C35 C34 C33 109.4(4) . . ? C35 C34 H34A 109.8 . . ? C33 C34 H34A 109.8 . . ? C35 C34 H34B 109.8 . . ? C33 C34 H34B 109.8 . . ? H34A C34 H34B 108.3 . . ? C36 C35 C34 111.4(4) . . ? C36 C35 H35A 109.4 . . ? C34 C35 H35A 109.4 . . ? C36 C35 H35B 109.4 . . ? C34 C35 H35B 109.4 . . ? H35A C35 H35B 108.0 . . ? C35 C36 C37 112.1(4) . . ? C35 C36 H36A 109.2 . . ? C37 C36 H36A 109.2 . . ? C35 C36 H36B 109.2 . . ? C37 C36 H36B 109.2 . . ? H36A C36 H36B 107.9 . . ? C36 C37 C32 110.6(4) . . ? C36 C37 H37A 109.5 . . ? C32 C37 H37A 109.5 . . ? C36 C37 H37B 109.5 . . ? C32 C37 H37B 109.5 . . ? H37A C37 H37B 108.1 . . ? C43 C38 C39 109.3(3) . . ? C43 C38 P31 115.7(3) . . ? C39 C38 P31 110.5(3) . . ? C43 C38 H38 107.0 . . ? C39 C38 H38 107.0 . . ? P31 C38 H38 107.0 . . ? C40 C39 C38 112.0(3) . . ? C40 C39 H39A 109.2 . . ? C38 C39 H39A 109.2 . . ? C40 C39 H39B 109.2 . . ? C38 C39 H39B 109.2 . . ? H39A C39 H39B 107.9 . . ? C41 C40 C39 111.0(4) . . ? C41 C40 H40A 109.4 . . ? C39 C40 H40A 109.4 . . ? C41 C40 H40B 109.4 . . ? C39 C40 H40B 109.4 . . ? H40A C40 H40B 108.0 . . ? C40 C41 C42 112.1(4) . . ? C40 C41 H41A 109.2 . . ? C42 C41 H41A 109.2 . . ? C40 C41 H41B 109.2 . . ? C42 C41 H41B 109.2 . . ? H41A C41 H41B 107.9 . . ? C41 C42 C43 111.2(4) . . ? C41 C42 H42A 109.4 . . ? C43 C42 H42A 109.4 . . ? C41 C42 H42B 109.4 . . ? C43 C42 H42B 109.4 . . ? H42A C42 H42B 108.0 . . ? C42 C43 C38 111.3(3) . . ? C42 C43 H43A 109.4 . . ? C38 C43 H43A 109.4 . . ? C42 C43 H43B 109.4 . . ? C38 C43 H43B 109.4 . . ? H43A C43 H43B 108.0 . . ? C49 C44 C45 110.9(3) . . ? C49 C44 P31 113.2(3) . . ? C45 C44 P31 118.0(3) . . ? C49 C44 H44 104.4 . . ? C45 C44 H44 104.4 . . ? P31 C44 H44 104.4 . . ? C46 C45 C44 110.9(3) . . ? C46 C45 H45A 109.5 . . ? C44 C45 H45A 109.5 . . ? C46 C45 H45B 109.5 . . ? C44 C45 H45B 109.5 . . ? H45A C45 H45B 108.0 . . ? C47 C46 C45 111.6(3) . . ? C47 C46 H46A 109.3 . . ? C45 C46 H46A 109.3 . . ? C47 C46 H46B 109.3 . . ? C45 C46 H46B 109.3 . . ? H46A C46 H46B 108.0 . . ? C46 C47 C48 110.8(4) . . ? C46 C47 H47A 109.5 . . ? C48 C47 H47A 109.5 . . ? C46 C47 H47B 109.5 . . ? C48 C47 H47B 109.5 . . ? H47A C47 H47B 108.1 . . ? C49 C48 C47 111.0(4) . . ? C49 C48 H48A 109.4 . . ? C47 C48 H48A 109.4 . . ? C49 C48 H48B 109.4 . . ? C47 C48 H48B 109.4 . . ? H48A C48 H48B 108.0 . . ? C48 C49 C44 111.4(3) . . ? C48 C49 H49A 109.4 . . ? C44 C49 H49A 109.4 . . ? C48 C49 H49B 109.4 . . ? C44 C49 H49B 109.4 . . ? H49A C49 H49B 108.0 . . ? B56 Pt50 B51 70.26(19) . . ? B56 Pt50 P63 158.54(14) . . ? B51 Pt50 P63 90.57(14) . . ? B56 Pt50 P81 90.37(14) . . ? B51 Pt50 P81 157.87(14) . . ? P63 Pt50 P81 110.12(4) . . ? O54 B51 O52 113.2(4) . . ? O54 B51 Pt50 125.2(3) . . ? O52 B51 Pt50 121.6(3) . . ? B51 O52 C53 120.8(4) . . ? O52 C53 H53A 109.5 . . ? O52 C53 H53B 109.5 . . ? H53A C53 H53B 109.5 . . ? O52 C53 H53C 109.5 . . ? H53A C53 H53C 109.5 . . ? H53B C53 H53C 109.5 . . ? B51 O54 C55 122.7(3) . . ? O54 C55 H55A 109.5 . . ? O54 C55 H55B 109.5 . . ? H55A C55 H55B 109.5 . . ? O54 C55 H55C 109.5 . . ? H55A C55 H55C 109.5 . . ? H55B C55 H55C 109.5 . . ? O57 B56 O59 113.9(4) . . ? O57 B56 Pt50 120.8(3) . . ? O59 B56 Pt50 125.3(3) . . ? B56 O57 C58 120.7(3) . . ? O57 C58 H58A 109.5 . . ? O57 C58 H58B 109.5 . . ? H58A C58 H58B 109.5 . . ? O57 C58 H58C 109.5 . . ? H58A C58 H58C 109.5 . . ? H58B C58 H58C 109.5 . . ? B56 O59 C60 121.9(3) . . ? O59 C60 H60A 109.5 . . ? O59 C60 H60B 109.5 . . ? H60A C60 H60B 109.5 . . ? O59 C60 H60C 109.5 . . ? H60A C60 H60C 109.5 . . ? H60B C60 H60C 109.5 . . ? C211 P63 C172 96.8(5) . . ? C211 P63 C64 107.3(6) . . ? C172 P63 C64 101.00(19) . . ? C172 P63 C76 107.1(4) . . ? C64 P63 C76 106.2(5) . . ? C211 P63 Pt50 111.8(5) . . ? C172 P63 Pt50 117.73(14) . . ? C64 P63 Pt50 119.37(13) . . ? C76 P63 Pt50 104.6(4) . . ? C65 C64 C69 110.1(3) . . ? C65 C64 P63 111.3(3) . . ? C69 C64 P63 119.5(3) . . ? C65 C64 H64 104.9 . . ? C69 C64 H64 104.9 . . ? P63 C64 H64 104.9 . . ? C66 C65 C64 112.0(4) . . ? C66 C65 H65A 109.2 . . ? C64 C65 H65A 109.2 . . ? C66 C65 H65B 109.2 . . ? C64 C65 H65B 109.2 . . ? H65A C65 H65B 107.9 . . ? C65 C66 C67 111.0(4) . . ? C65 C66 H66A 109.4 . . ? C67 C66 H66A 109.4 . . ? C65 C66 H66B 109.4 . . ? C67 C66 H66B 109.4 . . ? H66A C66 H66B 108.0 . . ? C66 C67 C68 109.8(4) . . ? C66 C67 H67A 109.7 . . ? C68 C67 H67A 109.7 . . ? C66 C67 H67B 109.7 . . ? C68 C67 H67B 109.7 . . ? H67A C67 H67B 108.2 . . ? C69 C68 C67 110.8(4) . . ? C69 C68 H68A 109.5 . . ? C67 C68 H68A 109.5 . . ? C69 C68 H68B 109.5 . . ? C67 C68 H68B 109.5 . . ? H68A C68 H68B 108.1 . . ? C68 C69 C64 111.0(4) . . ? C68 C69 H69A 109.4 . . ? C64 C69 H69A 109.4 . . ? C68 C69 H69B 109.4 . . ? C64 C69 H69B 109.4 . . ? H69A C69 H69B 108.0 . . ? C177 C172 C173 110.0(4) . . ? C177 C172 P63 115.6(3) . . ? C173 C172 P63 110.0(3) . . ? C177 C172 H172 106.9 . . ? C173 C172 H172 106.9 . . ? P63 C172 H172 106.9 . . ? C174 C173 C172 112.3(4) . . ? C174 C173 H17C 109.1 . . ? C172 C173 H17C 109.1 . . ? C174 C173 H17D 109.1 . . ? C172 C173 H17D 109.1 . . ? H17C C173 H17D 107.9 . . ? C175 C174 C173 111.5(4) . . ? C175 C174 H17E 109.3 . . ? C173 C174 H17E 109.3 . . ? C175 C174 H17F 109.3 . . ? C173 C174 H17F 109.3 . . ? H17E C174 H17F 108.0 . . ? C176 C175 C174 110.5(5) . . ? C176 C175 H17G 109.6 . . ? C174 C175 H17G 109.6 . . ? C176 C175 H17H 109.6 . . ? C174 C175 H17H 109.6 . . ? H17G C175 H17H 108.1 . . ? C175 C176 C177 111.9(4) . . ? C175 C176 H17I 109.2 . . ? C177 C176 H17I 109.2 . . ? C175 C176 H17J 109.2 . . ? C177 C176 H17J 109.2 . . ? H17I C176 H17J 107.9 . . ? C176 C177 C172 111.6(4) . . ? C176 C177 H17K 109.3 . . ? C172 C177 H17K 109.3 . . ? C176 C177 H17L 109.3 . . ? C172 C177 H17L 109.3 . . ? H17K C177 H17L 108.0 . . ? C77 C76 C81 111.3(9) . . ? C77 C76 P63 116.1(8) . . ? C81 C76 P63 112.2(8) . . ? C77 C76 H76 105.4 . . ? C81 C76 H76 105.4 . . ? P63 C76 H76 105.4 . . ? C76 C77 C78 112.4(8) . . ? C76 C77 H77A 109.1 . . ? C78 C77 H77A 109.1 . . ? C76 C77 H77B 109.1 . . ? C78 C77 H77B 109.1 . . ? H77A C77 H77B 107.9 . . ? C77 C78 C79 107.5(8) . . ? C77 C78 H78A 110.2 . . ? C79 C78 H78A 110.2 . . ? C77 C78 H78B 110.2 . . ? C79 C78 H78B 110.2 . . ? H78A C78 H78B 108.5 . . ? C80 C79 C78 112.7(7) . . ? C80 C79 H79A 109.1 . . ? C78 C79 H79A 109.1 . . ? C80 C79 H79B 109.1 . . ? C78 C79 H79B 109.1 . . ? H79A C79 H79B 107.8 . . ? C81 C80 C79 110.7(7) . . ? C81 C80 H80A 109.5 . . ? C79 C80 H80A 109.5 . . ? C81 C80 H80B 109.5 . . ? C79 C80 H80B 109.5 . . ? H80A C80 H80B 108.1 . . ? C80 C81 C76 109.5(8) . . ? C80 C81 H81A 109.8 . . ? C76 C81 H81A 109.8 . . ? C80 C81 H81B 109.8 . . ? C76 C81 H81B 109.8 . . ? H81A C81 H81B 108.2 . . ? C216 C211 C212 110.6(11) . . ? C216 C211 P63 114.4(10) . . ? C212 C211 P63 118.0(9) . . ? C216 C211 H211 104.0 . . ? C212 C211 H211 104.0 . . ? P63 C211 H211 104.0 . . ? C213 C212 C211 111.0(10) . . ? C213 C212 H21C 109.4 . . ? C211 C212 H21C 109.4 . . ? C213 C212 H21D 109.4 . . ? C211 C212 H21D 109.4 . . ? H21C C212 H21D 108.0 . . ? C212 C213 C214 107.1(9) . . ? C212 C213 H21E 110.3 . . ? C214 C213 H21E 110.3 . . ? C212 C213 H21F 110.3 . . ? C214 C213 H21F 110.3 . . ? H21E C213 H21F 108.6 . . ? C215 C214 C213 113.4(9) . . ? C215 C214 H21G 108.9 . . ? C213 C214 H21G 108.9 . . ? C215 C214 H21H 108.9 . . ? C213 C214 H21H 108.9 . . ? H21G C214 H21H 107.7 . . ? C214 C215 C216 108.9(9) . . ? C214 C215 H21I 109.9 . . ? C216 C215 H21I 109.9 . . ? C214 C215 H21J 109.9 . . ? C216 C215 H21J 109.9 . . ? H21I C215 H21J 108.3 . . ? C211 C216 C215 111.7(10) . . ? C211 C216 H21K 109.3 . . ? C215 C216 H21K 109.3 . . ? C211 C216 H21L 109.3 . . ? C215 C216 H21L 109.3 . . ? H21K C216 H21L 107.9 . . ? C82 P81 C94 102.46(18) . . ? C82 P81 C88 106.91(18) . . ? C94 P81 C88 101.40(18) . . ? C82 P81 Pt50 107.55(13) . . ? C94 P81 Pt50 118.69(14) . . ? C88 P81 Pt50 118.27(13) . . ? C83 C82 C87 109.8(3) . . ? C83 C82 P81 119.1(3) . . ? C87 C82 P81 114.0(3) . . ? C83 C82 H82 104.0 . . ? C87 C82 H82 104.0 . . ? P81 C82 H82 104.0 . . ? C82 C83 C84 110.7(4) . . ? C82 C83 H83A 109.5 . . ? C84 C83 H83A 109.5 . . ? C82 C83 H83B 109.5 . . ? C84 C83 H83B 109.5 . . ? H83A C83 H83B 108.1 . . ? C85 C84 C83 110.9(4) . . ? C85 C84 H84A 109.5 . . ? C83 C84 H84A 109.5 . . ? C85 C84 H84B 109.5 . . ? C83 C84 H84B 109.5 . . ? H84A C84 H84B 108.0 . . ? C86 C85 C84 111.9(4) . . ? C86 C85 H85A 109.2 . . ? C84 C85 H85A 109.2 . . ? C86 C85 H85B 109.2 . . ? C84 C85 H85B 109.2 . . ? H85A C85 H85B 107.9 . . ? C85 C86 C87 111.2(4) . . ? C85 C86 H86A 109.4 . . ? C87 C86 H86A 109.4 . . ? C85 C86 H86B 109.4 . . ? C87 C86 H86B 109.4 . . ? H86A C86 H86B 108.0 . . ? C86 C87 C82 110.0(4) . . ? C86 C87 H87A 109.7 . . ? C82 C87 H87A 109.7 . . ? C86 C87 H87B 109.7 . . ? C82 C87 H87B 109.7 . . ? H87A C87 H87B 108.2 . . ? C93 C88 C89 109.3(3) . . ? C93 C88 P81 109.7(3) . . ? C89 C88 P81 120.8(3) . . ? C93 C88 H88 105.3 . . ? C89 C88 H88 105.3 . . ? P81 C88 H88 105.3 . . ? C88 C89 C90 110.1(3) . . ? C88 C89 H89A 109.6 . . ? C90 C89 H89A 109.6 . . ? C88 C89 H89B 109.6 . . ? C90 C89 H89B 109.6 . . ? H89A C89 H89B 108.1 . . ? C91 C90 C89 111.8(4) . . ? C91 C90 H90A 109.3 . . ? C89 C90 H90A 109.3 . . ? C91 C90 H90B 109.3 . . ? C89 C90 H90B 109.3 . . ? H90A C90 H90B 107.9 . . ? C92 C91 C90 111.8(4) . . ? C92 C91 H91A 109.3 . . ? C90 C91 H91A 109.3 . . ? C92 C91 H91B 109.3 . . ? C90 C91 H91B 109.3 . . ? H91A C91 H91B 107.9 . . ? C91 C92 C93 110.3(4) . . ? C91 C92 H92A 109.6 . . ? C93 C92 H92A 109.6 . . ? C91 C92 H92B 109.6 . . ? C93 C92 H92B 109.6 . . ? H92A C92 H92B 108.1 . . ? C88 C93 C92 111.8(4) . . ? C88 C93 H93A 109.2 . . ? C92 C93 H93A 109.2 . . ? C88 C93 H93B 109.2 . . ? C92 C93 H93B 109.2 . . ? H93A C93 H93B 107.9 . . ? C95 C94 C99 110.3(3) . . ? C95 C94 P81 110.7(3) . . ? C99 C94 P81 114.3(3) . . ? C95 C94 H94 107.0 . . ? C99 C94 H94 107.0 . . ? P81 C94 H94 107.0 . . ? C96 C95 C94 112.5(4) . . ? C96 C95 H95A 109.1 . . ? C94 C95 H95A 109.1 . . ? C96 C95 H95B 109.1 . . ? C94 C95 H95B 109.1 . . ? H95A C95 H95B 107.8 . . ? C95 C96 C97 110.5(4) . . ? C95 C96 H96A 109.5 . . ? C97 C96 H96A 109.5 . . ? C95 C96 H96B 109.5 . . ? C97 C96 H96B 109.5 . . ? H96A C96 H96B 108.1 . . ? C98 C97 C96 110.6(4) . . ? C98 C97 H97A 109.5 . . ? C96 C97 H97A 109.5 . . ? C98 C97 H97B 109.5 . . ? C96 C97 H97B 109.5 . . ? H97A C97 H97B 108.1 . . ? C97 C98 C99 112.9(4) . . ? C97 C98 H98A 109.0 . . ? C99 C98 H98A 109.0 . . ? C97 C98 H98B 109.0 . . ? C99 C98 H98B 109.0 . . ? H98A C98 H98B 107.8 . . ? C98 C99 C94 110.8(3) . . ? C98 C99 H99A 109.5 . . ? C94 C99 H99A 109.5 . . ? C98 C99 H99B 109.5 . . ? C94 C99 H99B 109.5 . . ? H99A C99 H99B 108.1 . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag B7 Pt1 B2 O5 -84.6(4) . . . . ? P12 Pt1 B2 O5 104.6(3) . . . . ? P31 Pt1 B2 O5 -56.6(6) . . . . ? B7 Pt1 B2 O3 98.1(4) . . . . ? P12 Pt1 B2 O3 -72.7(3) . . . . ? P31 Pt1 B2 O3 126.1(3) . . . . ? O5 B2 O3 C4 -8.0(5) . . . . ? Pt1 B2 O3 C4 169.6(3) . . . . ? O3 B2 O5 C6 -180.0(3) . . . . ? Pt1 B2 O5 C6 2.6(5) . . . . ? B2 Pt1 B7 O8 95.7(4) . . . . ? P12 Pt1 B7 O8 122.5(4) . . . . ? P31 Pt1 B7 O8 -74.8(3) . . . . ? B2 Pt1 B7 O10 -84.0(4) . . . . ? P12 Pt1 B7 O10 -57.3(6) . . . . ? P31 Pt1 B7 O10 105.4(4) . . . . ? O10 B7 O8 C9 2.4(6) . . . . ? Pt1 B7 O8 C9 -177.4(3) . . . . ? O8 B7 O10 C11 -178.2(3) . . . . ? Pt1 B7 O10 C11 1.6(6) . . . . ? B2 Pt1 P12 C19 49.89(19) . . . . ? B7 Pt1 P12 C19 24.6(4) . . . . ? P31 Pt1 P12 C19 -136.96(14) . . . . ? B2 Pt1 P12 C13 -64.4(2) . . . . ? B7 Pt1 P12 C13 -89.7(4) . . . . ? P31 Pt1 P12 C13 108.74(15) . . . . ? B2 Pt1 P12 C25 172.1(2) . . . . ? B7 Pt1 P12 C25 146.9(4) . . . . ? P31 Pt1 P12 C25 -14.70(15) . . . . ? C19 P12 C13 C18 -51.8(3) . . . . ? C25 P12 C13 C18 -162.0(3) . . . . ? Pt1 P12 C13 C18 66.6(3) . . . . ? C19 P12 C13 C14 -177.1(3) . . . . ? C25 P12 C13 C14 72.7(3) . . . . ? Pt1 P12 C13 C14 -58.7(3) . . . . ? C18 C13 C14 C15 55.8(5) . . . . ? P12 C13 C14 C15 -177.6(3) . . . . ? C13 C14 C15 C16 -55.3(5) . . . . ? C14 C15 C16 C17 55.4(5) . . . . ? C15 C16 C17 C18 -56.2(5) . . . . ? C14 C13 C18 C17 -56.2(4) . . . . ? P12 C13 C18 C17 178.7(3) . . . . ? C16 C17 C18 C13 56.5(5) . . . . ? C13 P12 C19 C20 -54.8(4) . . . . ? C25 P12 C19 C20 51.3(4) . . . . ? Pt1 P12 C19 C20 -179.7(3) . . . . ? C13 P12 C19 C24 172.8(3) . . . . ? C25 P12 C19 C24 -81.1(3) . . . . ? Pt1 P12 C19 C24 47.8(3) . . . . ? C24 C19 C20 C21 -58.7(5) . . . . ? P12 C19 C20 C21 167.0(3) . . . . ? C19 C20 C21 C22 57.2(5) . . . . ? C20 C21 C22 C23 -55.2(6) . . . . ? C21 C22 C23 C24 54.3(6) . . . . ? C22 C23 C24 C19 -56.0(5) . . . . ? C20 C19 C24 C23 58.6(5) . . . . ? P12 C19 C24 C23 -165.5(3) . . . . ? C19 P12 C25 C30 57.2(3) . . . . ? C13 P12 C25 C30 162.8(3) . . . . ? Pt1 P12 C25 C30 -65.9(3) . . . . ? C19 P12 C25 C26 -70.7(3) . . . . ? C13 P12 C25 C26 35.0(4) . . . . ? Pt1 P12 C25 C26 166.2(3) . . . . ? C30 C25 C26 C27 54.6(4) . . . . ? P12 C25 C26 C27 -177.3(3) . . . . ? C25 C26 C27 C28 -55.2(5) . . . . ? C26 C27 C28 C29 55.2(5) . . . . ? C27 C28 C29 C30 -55.3(5) . . . . ? C26 C25 C30 C29 -56.4(4) . . . . ? P12 C25 C30 C29 170.0(3) . . . . ? C28 C29 C30 C25 57.4(5) . . . . ? B2 Pt1 P31 C38 -89.9(4) . . . . ? B7 Pt1 P31 C38 -63.5(2) . . . . ? P12 Pt1 P31 C38 110.01(15) . . . . ? B2 Pt1 P31 C44 26.4(4) . . . . ? B7 Pt1 P31 C44 52.8(2) . . . . ? P12 Pt1 P31 C44 -133.71(14) . . . . ? B2 Pt1 P31 C32 149.3(4) . . . . ? B7 Pt1 P31 C32 175.8(2) . . . . ? P12 Pt1 P31 C32 -10.72(16) . . . . ? C38 P31 C32 C33 162.9(3) . . . . ? C44 P31 C32 C33 55.8(3) . . . . ? Pt1 P31 C32 C33 -67.7(3) . . . . ? C38 P31 C32 C37 34.9(4) . . . . ? C44 P31 C32 C37 -72.2(4) . . . . ? Pt1 P31 C32 C37 164.3(3) . . . . ? C37 C32 C33 C34 -56.2(4) . . . . ? P31 C32 C33 C34 171.0(3) . . . . ? C32 C33 C34 C35 57.1(5) . . . . ? C33 C34 C35 C36 -57.1(5) . . . . ? C34 C35 C36 C37 57.5(5) . . . . ? C35 C36 C37 C32 -55.8(5) . . . . ? C33 C32 C37 C36 54.3(5) . . . . ? P31 C32 C37 C36 -177.8(3) . . . . ? C44 P31 C38 C43 -55.5(3) . . . . ? C32 P31 C38 C43 -165.8(3) . . . . ? Pt1 P31 C38 C43 63.5(3) . . . . ? C44 P31 C38 C39 179.7(3) . . . . ? C32 P31 C38 C39 69.4(3) . . . . ? Pt1 P31 C38 C39 -61.3(3) . . . . ? C43 C38 C39 C40 56.5(5) . . . . ? P31 C38 C39 C40 -175.2(3) . . . . ? C38 C39 C40 C41 -55.8(5) . . . . ? C39 C40 C41 C42 54.6(5) . . . . ? C40 C41 C42 C43 -54.9(5) . . . . ? C41 C42 C43 C38 56.2(5) . . . . ? C39 C38 C43 C42 -56.3(5) . . . . ? P31 C38 C43 C42 178.2(3) . . . . ? C38 P31 C44 C49 170.9(3) . . . . ? C32 P31 C44 C49 -84.6(3) . . . . ? Pt1 P31 C44 C49 45.6(3) . . . . ? C38 P31 C44 C45 -57.2(3) . . . . ? C32 P31 C44 C45 47.3(3) . . . . ? Pt1 P31 C44 C45 177.5(3) . . . . ? C49 C44 C45 C46 -55.5(5) . . . . ? P31 C44 C45 C46 171.6(3) . . . . ? C44 C45 C46 C47 56.2(5) . . . . ? C45 C46 C47 C48 -56.0(5) . . . . ? C46 C47 C48 C49 55.6(5) . . . . ? C47 C48 C49 C44 -55.6(5) . . . . ? C45 C44 C49 C48 55.7(5) . . . . ? P31 C44 C49 C48 -169.0(3) . . . . ? B56 Pt50 B51 O54 86.7(4) . . . . ? P63 Pt50 B51 O54 -103.2(4) . . . . ? P81 Pt50 B51 O54 56.5(7) . . . . ? B56 Pt50 B51 O52 -95.4(4) . . . . ? P63 Pt50 B51 O52 74.8(4) . . . . ? P81 Pt50 B51 O52 -125.5(4) . . . . ? O54 B51 O52 C53 2.4(6) . . . . ? Pt50 B51 O52 C53 -175.8(3) . . . . ? O52 B51 O54 C55 -178.3(4) . . . . ? Pt50 B51 O54 C55 -0.1(6) . . . . ? B51 Pt50 B56 O57 -90.3(4) . . . . ? P63 Pt50 B56 O57 -118.1(4) . . . . ? P81 Pt50 B56 O57 78.8(4) . . . . ? B51 Pt50 B56 O59 89.1(4) . . . . ? P63 Pt50 B56 O59 61.2(6) . . . . ? P81 Pt50 B56 O59 -101.9(4) . . . . ? O59 B56 O57 C58 0.3(6) . . . . ? Pt50 B56 O57 C58 179.7(3) . . . . ? O57 B56 O59 C60 177.6(4) . . . . ? Pt50 B56 O59 C60 -1.8(6) . . . . ? B56 Pt50 P63 C211 -22.9(7) . . . . ? B51 Pt50 P63 C211 -49.0(6) . . . . ? P81 Pt50 P63 C211 139.0(6) . . . . ? B56 Pt50 P63 C172 87.8(4) . . . . ? B51 Pt50 P63 C172 61.7(2) . . . . ? P81 Pt50 P63 C172 -110.24(17) . . . . ? B56 Pt50 P63 C64 -149.3(4) . . . . ? B51 Pt50 P63 C64 -175.4(2) . . . . ? P81 Pt50 P63 C64 12.66(16) . . . . ? B56 Pt50 P63 C76 -30.9(6) . . . . ? B51 Pt50 P63 C76 -56.9(5) . . . . ? P81 Pt50 P63 C76 131.1(5) . . . . ? C211 P63 C64 C65 -60.0(6) . . . . ? C172 P63 C64 C65 -160.8(3) . . . . ? C76 P63 C64 C65 -49.2(5) . . . . ? Pt50 P63 C64 C65 68.4(3) . . . . ? C211 P63 C64 C69 70.0(6) . . . . ? C172 P63 C64 C69 -30.8(4) . . . . ? C76 P63 C64 C69 80.8(5) . . . . ? Pt50 P63 C64 C69 -161.6(3) . . . . ? C69 C64 C65 C66 55.6(5) . . . . ? P63 C64 C65 C66 -169.5(3) . . . . ? C64 C65 C66 C67 -56.8(5) . . . . ? C65 C66 C67 C68 56.7(5) . . . . ? C66 C67 C68 C69 -57.3(5) . . . . ? C67 C68 C69 C64 57.4(5) . . . . ? C65 C64 C69 C68 -55.8(5) . . . . ? P63 C64 C69 C68 173.6(3) . . . . ? C211 P63 C172 C177 55.6(7) . . . . ? C64 P63 C172 C177 164.9(3) . . . . ? C76 P63 C172 C177 54.0(6) . . . . ? Pt50 P63 C172 C177 -63.3(4) . . . . ? C211 P63 C172 C173 -179.0(6) . . . . ? C64 P63 C172 C173 -69.8(3) . . . . ? C76 P63 C172 C173 179.3(5) . . . . ? Pt50 P63 C172 C173 62.0(3) . . . . ? C177 C172 C173 C174 -52.9(5) . . . . ? P63 C172 C173 C174 178.7(3) . . . . ? C172 C173 C174 C175 54.9(6) . . . . ? C173 C174 C175 C176 -56.2(6) . . . . ? C174 C175 C176 C177 57.2(6) . . . . ? C175 C176 C177 C172 -56.6(6) . . . . ? C173 C172 C177 C176 53.3(5) . . . . ? P63 C172 C177 C176 178.6(3) . . . . ? C211 P63 C76 C77 50(5) . . . . ? C172 P63 C76 C77 59.2(10) . . . . ? C64 P63 C76 C77 -48.0(9) . . . . ? Pt50 P63 C76 C77 -175.1(8) . . . . ? C172 P63 C76 C81 -171.1(7) . . . . ? C64 P63 C76 C81 81.6(9) . . . . ? Pt50 P63 C76 C81 -45.5(9) . . . . ? C81 C76 C77 C78 59.0(13) . . . . ? P63 C76 C77 C78 -170.9(8) . . . . ? C76 C77 C78 C79 -56.3(10) . . . . ? C77 C78 C79 C80 55.9(10) . . . . ? C78 C79 C80 C81 -57.3(10) . . . . ? C79 C80 C81 C76 56.1(11) . . . . ? C77 C76 C81 C80 -57.1(12) . . . . ? P63 C76 C81 C80 170.9(8) . . . . ? C172 P63 C211 C216 -172.0(10) . . . . ? C64 P63 C211 C216 84.2(11) . . . . ? C76 P63 C211 C216 -1(5) . . . . ? Pt50 P63 C211 C216 -48.5(12) . . . . ? C172 P63 C211 C212 55.3(11) . . . . ? C64 P63 C211 C212 -48.5(11) . . . . ? C76 P63 C211 C212 -134(6) . . . . ? Pt50 P63 C211 C212 178.8(9) . . . . ? C216 C211 C212 C213 58.4(14) . . . . ? P63 C211 C212 C213 -167.3(10) . . . . ? C211 C212 C213 C214 -57.3(12) . . . . ? C212 C213 C214 C215 59.7(12) . . . . ? C213 C214 C215 C216 -57.9(12) . . . . ? C212 C211 C216 C215 -56.0(14) . . . . ? P63 C211 C216 C215 167.9(10) . . . . ? C214 C215 C216 C211 56.0(14) . . . . ? B56 Pt50 P81 C82 -49.7(2) . . . . ? B51 Pt50 P81 C82 -21.5(4) . . . . ? P63 Pt50 P81 C82 136.81(14) . . . . ? B56 Pt50 P81 C94 65.8(2) . . . . ? B51 Pt50 P81 C94 94.1(4) . . . . ? P63 Pt50 P81 C94 -107.66(15) . . . . ? B56 Pt50 P81 C88 -170.8(2) . . . . ? B51 Pt50 P81 C88 -142.5(4) . . . . ? P63 Pt50 P81 C88 15.72(15) . . . . ? C94 P81 C82 C83 57.0(4) . . . . ? C88 P81 C82 C83 -49.1(4) . . . . ? Pt50 P81 C82 C83 -177.1(3) . . . . ? C94 P81 C82 C87 -170.7(3) . . . . ? C88 P81 C82 C87 83.1(3) . . . . ? Pt50 P81 C82 C87 -44.9(3) . . . . ? C87 C82 C83 C84 58.0(5) . . . . ? P81 C82 C83 C84 -168.0(3) . . . . ? C82 C83 C84 C85 -56.0(6) . . . . ? C83 C84 C85 C86 54.7(6) . . . . ? C84 C85 C86 C87 -55.8(6) . . . . ? C85 C86 C87 C82 57.4(5) . . . . ? C83 C82 C87 C86 -58.6(5) . . . . ? P81 C82 C87 C86 164.9(3) . . . . ? C82 P81 C88 C93 -58.7(3) . . . . ? C94 P81 C88 C93 -165.7(3) . . . . ? Pt50 P81 C88 C93 62.7(3) . . . . ? C82 P81 C88 C89 69.8(3) . . . . ? C94 P81 C88 C89 -37.1(3) . . . . ? Pt50 P81 C88 C89 -168.8(3) . . . . ? C93 C88 C89 C90 -57.1(4) . . . . ? P81 C88 C89 C90 174.2(3) . . . . ? C88 C89 C90 C91 56.9(5) . . . . ? C89 C90 C91 C92 -56.0(5) . . . . ? C90 C91 C92 C93 54.7(5) . . . . ? C89 C88 C93 C92 57.7(4) . . . . ? P81 C88 C93 C92 -167.8(3) . . . . ? C91 C92 C93 C88 -56.3(5) . . . . ? C82 P81 C94 C95 176.9(3) . . . . ? C88 P81 C94 C95 -72.7(3) . . . . ? Pt50 P81 C94 C95 58.6(3) . . . . ? C82 P81 C94 C99 51.5(3) . . . . ? C88 P81 C94 C99 161.9(3) . . . . ? Pt50 P81 C94 C99 -66.7(3) . . . . ? C99 C94 C95 C96 -54.8(5) . . . . ? P81 C94 C95 C96 177.6(3) . . . . ? C94 C95 C96 C97 56.4(5) . . . . ? C95 C96 C97 C98 -56.1(5) . . . . ? C96 C97 C98 C99 56.3(5) . . . . ? C97 C98 C99 C94 -55.0(5) . . . . ? C95 C94 C99 C98 52.8(5) . . . . ? P81 C94 C99 C98 178.3(3) . . . . ? _diffrn_measured_fraction_theta_max 0.996 _diffrn_reflns_theta_full 26.00 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max 0.900 _refine_diff_density_min -0.697 _refine_diff_density_rms 0.125