# Supplementary Material (ESI) for Dalton Transactions # This journal is (c) The Royal Society of Chemistry 2010 data_global _journal_coden_Cambridge 222 loop_ _publ_author_name 'John Gladysz' 'N S P Bhuvanesh' 'Sebastien Gauthier' 'Frank Hampel' 'Gareth R. Owen' 'Nancy Weisbach' _publ_contact_author_name 'John Gladysz' _publ_contact_author_email GLADYSZ@MAIL.CHEM.TAMU.EDU _publ_section_title ; Towards Multistranded Molecular Wires: Syntheses, Structures, and Reactivities of Tetraplatinum bis(Polyynediyl) Complexes with Pt-Cx-Pt-(P(CH2)3P)2-Pt-Cx-Pt-(P(CH2)3P)2 Cores (x = 4, 6, 8) ; # Attachment 'GO08.CIF' data_go08 _database_code_depnum_ccdc_archive 'CCDC 258765' #TrackingRef 'GO08.CIF' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C148 H112 Cl8 F20 P8 Pt4' _chemical_formula_weight 3582.10 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' F F 0.0171 0.0103 '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' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Orthorhombic _symmetry_space_group_name_H-M Pbcn loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y+1/2, z+1/2' '-x, y, -z+1/2' 'x+1/2, -y+1/2, -z' '-x, -y, -z' 'x-1/2, y-1/2, -z-1/2' 'x, -y, z-1/2' '-x-1/2, y-1/2, z' _cell_length_a 26.5408(4) _cell_length_b 22.3417(5) _cell_length_c 23.4476(5) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 13903.6(5) _cell_formula_units_Z 4 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 16021 _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description block _exptl_crystal_colour yellow _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.25 _exptl_crystal_size_min 0.02 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.711 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 6992 _exptl_absorpt_coefficient_mu 4.336 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.4103 _exptl_absorpt_correction_T_max 0.9183 _exptl_absorpt_process_details Scalepack _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus rotating anode' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Nonius KappaCCD' _diffrn_measurement_method ? _diffrn_detector_area_resol_mean 9 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 29643 _diffrn_reflns_av_R_equivalents 0.0391 _diffrn_reflns_av_sigmaI/netI 0.0563 _diffrn_reflns_limit_h_min -34 _diffrn_reflns_limit_h_max 34 _diffrn_reflns_limit_k_min -28 _diffrn_reflns_limit_k_max 28 _diffrn_reflns_limit_l_min -30 _diffrn_reflns_limit_l_max 30 _diffrn_reflns_theta_min 1.19 _diffrn_reflns_theta_max 27.47 _reflns_number_total 15811 _reflns_number_gt 10063 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Nonius Collect' _computing_cell_refinement DENZO-SMN _computing_data_reduction DENZO-SMN _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'SHELXTL NT' _computing_publication_material 'SHELXTL NT' _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^)+(0.0516P)^2^+48.6481P] 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 'riding model' _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 15811 _refine_ls_number_parameters 816 _refine_ls_number_restraints 6 _refine_ls_R_factor_all 0.0862 _refine_ls_R_factor_gt 0.0431 _refine_ls_wR_factor_ref 0.1268 _refine_ls_wR_factor_gt 0.1030 _refine_ls_goodness_of_fit_ref 1.054 _refine_ls_restrained_S_all 1.054 _refine_ls_shift/su_max 0.011 _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 0.606236(9) 0.541238(10) 0.745961(10) 0.02363(7) Uani 1 1 d . . . P1 P 0.60563(7) 0.50189(7) 0.83640(7) 0.0268(4) Uani 1 1 d . . . C1 C 0.5748(3) 0.4641(3) 0.7199(3) 0.0274(15) Uani 1 1 d . . . C1A C 0.5413(3) 0.4978(3) 0.8648(3) 0.0267(14) Uiso 1 1 d . . . H1AA H 0.5249 0.4611 0.8502 0.032 Uiso 1 1 calc R . . H1AB H 0.5430 0.4946 0.9069 0.032 Uiso 1 1 calc R . . C1B C 0.6129(3) 0.1496(3) 0.6957(3) 0.0291(15) Uiso 1 1 d . . . H1BA H 0.6482 0.1367 0.7018 0.035 Uiso 1 1 calc R . . H1BB H 0.6131 0.1934 0.6891 0.035 Uiso 1 1 calc R . . Pt2 Pt 0.501035(11) 0.114092(9) 0.630276(10) 0.02171(7) Uani 1 1 d . . . P2 P 0.59644(7) 0.58114(7) 0.65615(7) 0.0267(4) Uani 1 1 d . . . C2 C 0.5585(3) 0.4160(3) 0.7060(3) 0.0322(16) Uani 1 1 d . . . C2A C 0.5088(3) 0.5522(3) 0.8489(3) 0.0316(16) Uiso 1 1 d . . . H2AA H 0.5023 0.5521 0.8074 0.038 Uiso 1 1 calc R . . H2AB H 0.5271 0.5895 0.8585 0.038 Uiso 1 1 calc R . . C2B C 0.5828(3) 0.1363(3) 0.7490(3) 0.0285(14) Uiso 1 1 d . . . H2BA H 0.5478 0.1506 0.7433 0.034 Uiso 1 1 calc R . . H2BB H 0.5815 0.0924 0.7546 0.034 Uiso 1 1 calc R . . P3 P 0.58802(7) 0.11198(7) 0.63161(7) 0.0244(4) Uani 1 1 d . . . C3 C 0.5410(3) 0.3608(3) 0.6887(3) 0.0329(17) Uani 1 1 d . . . C3A C 0.4581(3) 0.5505(3) 0.8816(3) 0.0272(15) Uiso 1 1 d . . . H3AA H 0.4622 0.5728 0.9178 0.033 Uiso 1 1 calc R . . H3AB H 0.4506 0.5083 0.8916 0.033 Uiso 1 1 calc R . . C3B C 0.6044(3) 0.1655(3) 0.8030(2) 0.0251(14) Uiso 1 1 d . . . H3BA H 0.5925 0.2075 0.8054 0.030 Uiso 1 1 calc R . . H3BB H 0.6416 0.1662 0.8005 0.030 Uiso 1 1 calc R . . P4 P 0.41468(7) 0.12516(7) 0.63261(7) 0.0234(4) Uani 1 1 d . . . C4 C 0.5285(3) 0.3111(3) 0.6738(3) 0.0346(17) Uani 1 1 d . . . C5 C 0.5160(3) 0.2544(3) 0.6566(3) 0.0289(16) Uani 1 1 d . . . C6 C 0.5076(2) 0.2025(3) 0.6428(3) 0.0271(16) Uani 1 1 d . . . C11 C 0.6420(3) 0.6183(3) 0.7749(3) 0.0260(15) Uani 1 1 d . . . F12 F 0.56565(17) 0.66607(17) 0.79893(18) 0.0425(11) Uani 1 1 d . . . C12 C 0.6165(3) 0.6671(3) 0.7956(3) 0.0297(16) Uani 1 1 d . . . F13 F 0.61180(19) 0.76408(18) 0.8363(2) 0.0540(13) Uani 1 1 d . . . C13 C 0.6390(3) 0.7184(3) 0.8162(3) 0.0375(18) Uani 1 1 d . . . F14 F 0.7136(2) 0.7721(2) 0.8337(2) 0.0706(16) Uani 1 1 d . . . C14 C 0.6902(3) 0.7224(3) 0.8139(3) 0.0406(19) Uani 1 1 d . . . F15 F 0.76876(19) 0.6791(2) 0.7921(3) 0.0729(16) Uani 1 1 d . . . C15 C 0.7180(3) 0.6756(3) 0.7931(3) 0.0427(19) Uani 1 1 d . . . F16 F 0.72376(16) 0.57991(18) 0.75419(19) 0.0492(12) Uani 1 1 d . . . C16 C 0.6934(3) 0.6251(3) 0.7740(3) 0.0319(16) Uani 1 1 d . . . C21 C 0.6430(3) 0.5413(3) 0.8905(3) 0.0327(16) Uani 1 1 d . . . C22 C 0.6942(3) 0.5358(4) 0.8899(3) 0.044(2) Uani 1 1 d . . . H22A H 0.7096 0.5113 0.8617 0.052 Uiso 1 1 calc R . . C23 C 0.7241(4) 0.5650(4) 0.9291(4) 0.057(2) Uani 1 1 d . . . H23A H 0.7596 0.5600 0.9281 0.068 Uiso 1 1 calc R . . C24 C 0.7028(4) 0.6007(4) 0.9691(4) 0.071(3) Uani 1 1 d . . . H24A H 0.7231 0.6212 0.9962 0.086 Uiso 1 1 calc R . . C25 C 0.6530(5) 0.6067(6) 0.9697(5) 0.106(5) Uani 1 1 d . . . H25A H 0.6380 0.6316 0.9978 0.127 Uiso 1 1 calc R . . C26 C 0.6221(4) 0.5776(5) 0.9305(4) 0.079(3) Uani 1 1 d . . . H26A H 0.5866 0.5832 0.9317 0.095 Uiso 1 1 calc R . . C31 C 0.6298(3) 0.4261(3) 0.8399(3) 0.0283(15) Uani 1 1 d . . . C32 C 0.6703(3) 0.4099(3) 0.8056(3) 0.044(2) Uani 1 1 d . . . H32A H 0.6836 0.4381 0.7793 0.052 Uiso 1 1 calc R . . C33 C 0.6914(3) 0.3537(3) 0.8089(4) 0.053(2) Uani 1 1 d . . . H33A H 0.7197 0.3440 0.7860 0.064 Uiso 1 1 calc R . . C34 C 0.6714(3) 0.3119(3) 0.8453(4) 0.048(2) Uani 1 1 d . . . H34A H 0.6850 0.2726 0.8466 0.057 Uiso 1 1 calc R . . C35 C 0.6313(3) 0.3275(3) 0.8799(4) 0.057(2) Uani 1 1 d . . . H35A H 0.6176 0.2989 0.9057 0.068 Uiso 1 1 calc R . . C36 C 0.6112(3) 0.3841(3) 0.8773(3) 0.045(2) Uani 1 1 d . . . H36A H 0.5840 0.3944 0.9017 0.054 Uiso 1 1 calc R . . C41 C 0.5916(3) 0.6622(3) 0.6582(3) 0.0274(15) Uani 1 1 d . . . C42 C 0.6355(3) 0.6969(3) 0.6567(3) 0.0355(17) Uani 1 1 d . . . H42A H 0.6671 0.6790 0.6481 0.043 Uiso 1 1 calc R . . C43 C 0.6324(3) 0.7584(3) 0.6680(3) 0.046(2) Uani 1 1 d . . . H43A H 0.6620 0.7823 0.6664 0.055 Uiso 1 1 calc R . . C44 C 0.5872(4) 0.7845(3) 0.6812(4) 0.051(2) Uani 1 1 d . . . H44A H 0.5858 0.8262 0.6893 0.061 Uiso 1 1 calc R . . C45 C 0.5436(3) 0.7505(3) 0.6829(3) 0.045(2) Uani 1 1 d . . . H45A H 0.5121 0.7686 0.6913 0.054 Uiso 1 1 calc R . . C46 C 0.5469(3) 0.6895(3) 0.6722(3) 0.0367(17) Uani 1 1 d . . . H46A H 0.5172 0.6659 0.6746 0.044 Uiso 1 1 calc R . . C51 C 0.6475(3) 0.5677(3) 0.6070(3) 0.0321(16) Uani 1 1 d . . . C52 C 0.6894(3) 0.5360(4) 0.6253(4) 0.046(2) Uani 1 1 d . . . H52A H 0.6906 0.5206 0.6630 0.055 Uiso 1 1 calc R . . C53 C 0.7295(4) 0.5269(4) 0.5886(4) 0.065(3) Uani 1 1 d . . . H53A H 0.7584 0.5057 0.6015 0.078 Uiso 1 1 calc R . . C54 C 0.7279(4) 0.5485(4) 0.5333(4) 0.062(3) Uani 1 1 d . . . H54A H 0.7552 0.5412 0.5080 0.074 Uiso 1 1 calc R . . C55 C 0.6868(4) 0.5802(4) 0.5152(4) 0.057(2) Uani 1 1 d . . . H55A H 0.6859 0.5958 0.4775 0.068 Uiso 1 1 calc R . . C56 C 0.6462(3) 0.5899(4) 0.5519(3) 0.047(2) Uani 1 1 d . . . H56A H 0.6176 0.6117 0.5390 0.057 Uiso 1 1 calc R . . C61 C 0.4985(3) 0.0220(3) 0.6232(3) 0.0257(14) Uani 1 1 d . . . F62 F 0.53813(15) 0.02633(17) 0.53185(15) 0.0354(10) Uani 1 1 d . . . C62 C 0.5174(3) -0.0067(3) 0.5749(3) 0.0291(15) Uani 1 1 d . . . F63 F 0.53687(19) -0.09259(18) 0.51935(18) 0.0519(13) Uani 1 1 d . . . C63 C 0.5168(3) -0.0685(3) 0.5669(3) 0.0386(19) Uani 1 1 d . . . F64 F 0.49381(19) -0.16348(17) 0.6001(2) 0.0608(15) Uani 1 1 d . . . C64 C 0.4955(3) -0.1041(3) 0.6084(3) 0.0351(17) Uani 1 1 d . . . F65 F 0.45661(19) -0.11309(18) 0.69733(19) 0.0536(13) Uani 1 1 d . . . C65 C 0.4773(3) -0.0787(3) 0.6568(3) 0.0376(17) Uani 1 1 d . . . F66 F 0.45919(16) 0.00524(17) 0.71181(16) 0.0377(10) Uani 1 1 d . . . C66 C 0.4786(3) -0.0172(3) 0.6628(3) 0.0281(15) Uani 1 1 d . . . C71 C 0.6181(3) 0.1506(3) 0.5718(3) 0.0307(16) Uani 1 1 d . . . C72 C 0.6696(3) 0.1585(3) 0.5711(3) 0.045(2) Uani 1 1 d . . . H72A H 0.6892 0.1457 0.6028 0.055 Uiso 1 1 calc R . . C73 C 0.6932(3) 0.1849(4) 0.5246(4) 0.055(2) Uani 1 1 d . . . H73A H 0.7287 0.1907 0.5246 0.066 Uiso 1 1 calc R . . C74 C 0.6645(4) 0.2029(4) 0.4776(3) 0.054(2) Uani 1 1 d . . . H74A H 0.6803 0.2205 0.4454 0.065 Uiso 1 1 calc R . . C75 C 0.6139(4) 0.1949(3) 0.4784(3) 0.051(2) Uani 1 1 d . . . H75A H 0.5944 0.2076 0.4467 0.061 Uiso 1 1 calc R . . C76 C 0.5898(3) 0.1685(3) 0.5249(3) 0.0350(17) Uani 1 1 d . . . H76A H 0.5543 0.1628 0.5245 0.042 Uiso 1 1 calc R . . C81 C 0.6178(3) 0.0381(3) 0.6294(3) 0.0297(16) Uani 1 1 d . . . C82 C 0.6356(3) 0.0149(3) 0.5773(3) 0.0371(18) Uani 1 1 d . . . H82A H 0.6362 0.0397 0.5443 0.045 Uiso 1 1 calc R . . C83 C 0.6522(3) -0.0441(3) 0.5739(4) 0.043(2) Uani 1 1 d . . . H83A H 0.6635 -0.0597 0.5384 0.052 Uiso 1 1 calc R . . C84 C 0.6524(3) -0.0801(3) 0.6216(4) 0.049(2) Uani 1 1 d . . . H84A H 0.6638 -0.1203 0.6189 0.059 Uiso 1 1 calc R . . C85 C 0.6363(3) -0.0580(3) 0.6726(4) 0.048(2) Uani 1 1 d . . . H85A H 0.6371 -0.0826 0.7056 0.058 Uiso 1 1 calc R . . C86 C 0.6184(3) 0.0012(3) 0.6762(3) 0.0404(19) Uani 1 1 d . . . H86A H 0.6065 0.0159 0.7117 0.048 Uiso 1 1 calc R . . C91 C 0.3759(3) 0.0575(3) 0.6315(3) 0.0277(15) Uani 1 1 d . . . C92 C 0.3822(3) 0.0172(3) 0.5861(3) 0.0296(16) Uani 1 1 d . . . H92A H 0.4045 0.0268 0.5558 0.036 Uiso 1 1 calc R . . C93 C 0.3562(3) -0.0365(3) 0.5853(3) 0.0407(19) Uani 1 1 d . . . H93A H 0.3614 -0.0638 0.5548 0.049 Uiso 1 1 calc R . . C94 C 0.3231(3) -0.0509(3) 0.6280(3) 0.048(2) Uani 1 1 d . . . H94A H 0.3051 -0.0876 0.6267 0.058 Uiso 1 1 calc R . . C95 C 0.3158(3) -0.0114(3) 0.6730(3) 0.0427(19) Uani 1 1 d . . . H95A H 0.2932 -0.0211 0.7030 0.051 Uiso 1 1 calc R . . C96 C 0.3419(3) 0.0423(3) 0.6734(3) 0.0322(16) Uani 1 1 d . . . H96A H 0.3362 0.0696 0.7037 0.039 Uiso 1 1 calc R . . C101 C 0.3869(3) 0.1686(3) 0.5746(3) 0.0246(15) Uani 1 1 d . . . C102 C 0.4161(3) 0.1958(3) 0.5327(3) 0.0276(15) Uani 1 1 d . . . H10A H 0.4518 0.1925 0.5341 0.033 Uiso 1 1 calc R . . C103 C 0.3937(3) 0.2278(3) 0.4887(3) 0.045(2) Uani 1 1 d . . . H10B H 0.4140 0.2458 0.4600 0.054 Uiso 1 1 calc R . . C104 C 0.3416(3) 0.2335(3) 0.4868(3) 0.044(2) Uani 1 1 d . . . H10C H 0.3262 0.2556 0.4569 0.053 Uiso 1 1 calc R . . C105 C 0.3127(3) 0.2075(3) 0.5275(3) 0.0420(19) Uani 1 1 d . . . H10D H 0.2771 0.2121 0.5261 0.050 Uiso 1 1 calc R . . C106 C 0.3345(3) 0.1740(3) 0.5716(3) 0.0340(17) Uani 1 1 d . . . H10E H 0.3138 0.1550 0.5993 0.041 Uiso 1 1 calc R . . C100 C 0.5242(5) 0.3263(4) 0.5274(4) 0.072(3) Uani 1 1 d . . . H10F H 0.4984 0.3084 0.5506 0.087 Uiso 1 1 d R . . H10G H 0.5563 0.3118 0.5402 0.087 Uiso 1 1 d R . . Cl11 Cl 0.52156(13) 0.40295(12) 0.53627(12) 0.0861(9) Uani 1 1 d . . . Cl12 Cl 0.51427(11) 0.30466(11) 0.45733(11) 0.0721(8) Uani 1 1 d . . . C200 C 0.3101(8) 0.3637(8) 0.8852(9) 0.132(8) Uiso 0.680(5) 1 d PD . . H20A H 0.2945 0.3701 0.9216 0.158 Uiso 0.680(5) 1 d PR . . H20B H 0.3360 0.3935 0.8819 0.158 Uiso 0.680(5) 1 d PR . . Cl21 Cl 0.27035(19) 0.38342(19) 0.8396(2) 0.0955(12) Uani 0.680(5) 1 d PD . . Cl22 Cl 0.34116(19) 0.30164(19) 0.8910(2) 0.0955(12) Uani 0.680(5) 1 d PD . . C201 C 0.3239(12) 0.3096(12) 0.830(2) 0.132(8) Uiso 0.32 1 d PD . . H20C H 0.3448 0.2862 0.8552 0.158 Uiso 0.320(5) 1 d PR . . H20D H 0.3417 0.3117 0.7949 0.158 Uiso 0.320(5) 1 d PR . . Cl2A Cl 0.3278(4) 0.3741(4) 0.8588(5) 0.0955(12) Uani 0.32 1 d PD . . Cl2B Cl 0.2765(4) 0.2656(4) 0.8206(5) 0.0955(12) Uani 0.32 1 d PD . . 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 0.02320(13) 0.01401(12) 0.03369(14) -0.00011(11) -0.00083(12) -0.00185(9) P1 0.0241(10) 0.0185(8) 0.0378(9) 0.0010(7) 0.0005(8) 0.0014(7) C1 0.031(4) 0.020(3) 0.031(3) -0.001(3) -0.005(3) -0.001(3) Pt2 0.02549(14) 0.01462(12) 0.02503(12) -0.00220(9) -0.00051(12) -0.00150(12) P2 0.0250(10) 0.0211(8) 0.0340(9) 0.0006(7) 0.0013(8) -0.0023(7) C2 0.037(5) 0.022(3) 0.038(4) 0.001(3) -0.001(3) -0.001(3) P3 0.0265(10) 0.0212(8) 0.0254(8) 0.0000(7) 0.0014(7) -0.0033(7) C3 0.041(5) 0.021(3) 0.037(4) -0.001(3) 0.003(3) -0.003(3) P4 0.0263(10) 0.0196(8) 0.0243(8) 0.0002(7) -0.0022(7) 0.0001(7) C4 0.039(5) 0.024(4) 0.042(4) 0.000(3) -0.005(3) 0.000(3) C5 0.038(4) 0.023(3) 0.026(3) -0.001(3) -0.004(3) -0.002(3) C6 0.031(5) 0.022(3) 0.029(3) -0.001(3) 0.002(3) 0.001(3) C11 0.027(4) 0.014(3) 0.037(4) 0.003(3) -0.005(3) -0.004(3) F12 0.037(3) 0.030(2) 0.060(3) -0.009(2) 0.008(2) -0.0035(19) C12 0.033(4) 0.025(3) 0.031(4) -0.001(3) 0.001(3) -0.009(3) F13 0.065(4) 0.031(2) 0.066(3) -0.020(2) 0.015(3) -0.005(2) C13 0.052(5) 0.023(4) 0.038(4) -0.006(3) 0.008(4) -0.008(4) F14 0.066(4) 0.049(3) 0.097(4) -0.026(3) 0.001(3) -0.030(3) C14 0.043(5) 0.025(4) 0.054(5) -0.008(3) -0.002(4) -0.014(4) F15 0.032(3) 0.065(3) 0.122(5) -0.026(3) -0.009(3) -0.013(3) C15 0.031(5) 0.042(4) 0.055(5) -0.002(4) -0.004(4) -0.012(4) F16 0.030(2) 0.034(2) 0.083(3) -0.006(2) -0.006(2) 0.0016(19) C16 0.030(4) 0.026(4) 0.040(4) 0.004(3) -0.004(3) 0.002(3) C21 0.034(5) 0.024(4) 0.040(4) 0.007(3) -0.007(3) -0.001(3) C22 0.041(5) 0.049(5) 0.041(4) -0.006(4) 0.000(4) -0.011(4) C23 0.047(6) 0.054(5) 0.069(6) 0.007(5) -0.014(5) -0.020(5) C24 0.065(8) 0.071(7) 0.078(7) -0.025(6) -0.029(6) -0.009(6) C25 0.070(9) 0.149(12) 0.099(9) -0.088(9) -0.026(7) 0.030(8) C26 0.039(6) 0.106(8) 0.092(8) -0.058(7) -0.015(5) 0.015(6) C31 0.028(4) 0.018(3) 0.039(4) 0.000(3) -0.001(3) 0.003(3) C32 0.046(5) 0.027(4) 0.057(5) 0.009(4) 0.012(4) 0.009(4) C33 0.048(6) 0.039(5) 0.071(6) 0.007(4) 0.016(5) 0.017(4) C34 0.042(5) 0.025(4) 0.076(6) 0.004(4) 0.002(4) 0.014(4) C35 0.056(6) 0.027(4) 0.087(7) 0.020(4) 0.014(5) 0.012(4) C36 0.053(6) 0.025(4) 0.055(5) 0.013(3) 0.016(4) 0.013(4) C41 0.034(4) 0.021(3) 0.028(3) 0.005(3) -0.003(3) -0.002(3) C42 0.036(5) 0.031(4) 0.039(4) 0.005(3) -0.003(3) -0.003(3) C43 0.057(6) 0.027(4) 0.053(5) 0.010(4) -0.007(4) -0.014(4) C44 0.070(7) 0.015(4) 0.068(6) 0.005(4) -0.006(5) -0.006(4) C45 0.054(6) 0.027(4) 0.054(5) 0.000(4) 0.012(4) 0.005(4) C46 0.032(4) 0.024(4) 0.054(5) 0.001(3) 0.003(4) -0.005(3) C51 0.026(4) 0.031(4) 0.039(4) -0.011(3) 0.004(3) -0.007(3) C52 0.035(5) 0.048(5) 0.055(5) -0.002(4) 0.013(4) 0.006(4) C53 0.046(6) 0.071(6) 0.077(7) -0.005(5) 0.022(5) 0.015(5) C54 0.040(6) 0.075(7) 0.071(6) -0.013(5) 0.023(5) -0.005(5) C55 0.051(6) 0.076(7) 0.044(5) 0.007(5) 0.012(4) -0.013(5) C56 0.043(5) 0.053(5) 0.047(5) -0.004(4) 0.006(4) -0.003(4) C61 0.028(4) 0.018(3) 0.032(3) -0.001(2) -0.006(3) 0.000(3) F62 0.042(3) 0.033(2) 0.032(2) -0.0036(17) 0.0035(18) -0.0012(19) C62 0.030(4) 0.025(3) 0.032(4) -0.006(3) -0.003(3) -0.001(3) F63 0.068(4) 0.035(2) 0.053(3) -0.022(2) -0.004(2) 0.015(2) C63 0.043(5) 0.029(4) 0.044(4) -0.014(3) -0.008(4) 0.010(3) F64 0.085(4) 0.0119(19) 0.085(4) -0.005(2) -0.014(3) 0.002(2) C64 0.042(5) 0.017(3) 0.046(4) -0.004(3) -0.011(4) 0.000(3) F65 0.069(4) 0.030(2) 0.061(3) 0.019(2) 0.003(3) -0.006(2) C65 0.042(5) 0.022(4) 0.049(4) 0.007(3) -0.002(4) -0.002(3) F66 0.046(3) 0.032(2) 0.036(2) 0.0033(18) 0.0050(19) 0.0056(19) C66 0.029(4) 0.021(3) 0.035(4) -0.003(3) -0.002(3) 0.001(3) C71 0.038(5) 0.023(3) 0.031(4) -0.004(3) 0.004(3) -0.006(3) C72 0.038(5) 0.049(5) 0.049(5) 0.009(4) 0.000(4) -0.012(4) C73 0.039(5) 0.066(6) 0.059(5) 0.013(5) 0.012(4) -0.018(5) C74 0.069(7) 0.049(5) 0.045(5) 0.015(4) 0.019(5) -0.010(5) C75 0.072(7) 0.041(5) 0.040(4) 0.007(4) 0.005(4) 0.000(5) C76 0.040(5) 0.033(4) 0.032(4) 0.001(3) 0.003(3) -0.004(3) C81 0.025(4) 0.023(3) 0.041(4) -0.002(3) -0.002(3) -0.001(3) C82 0.035(5) 0.033(4) 0.043(4) -0.005(3) 0.006(3) 0.001(3) C83 0.039(5) 0.034(4) 0.057(5) -0.012(4) 0.013(4) -0.002(4) C84 0.050(6) 0.025(4) 0.071(6) -0.004(4) -0.002(5) -0.001(4) C85 0.057(6) 0.026(4) 0.063(5) 0.007(4) -0.002(5) 0.000(4) C86 0.053(5) 0.030(4) 0.038(4) 0.000(3) 0.004(4) -0.004(4) C91 0.025(4) 0.028(4) 0.031(3) 0.001(3) -0.009(3) 0.000(3) C92 0.036(5) 0.029(4) 0.024(3) -0.003(3) -0.002(3) -0.003(3) C93 0.052(5) 0.030(4) 0.040(4) -0.008(3) -0.008(4) -0.007(4) C94 0.058(6) 0.031(4) 0.055(5) 0.011(4) -0.016(4) -0.022(4) C95 0.044(5) 0.043(5) 0.041(4) 0.007(4) 0.003(4) -0.015(4) C96 0.033(4) 0.028(4) 0.035(4) 0.001(3) 0.002(3) -0.001(3) C101 0.031(4) 0.018(3) 0.025(3) -0.001(3) -0.006(3) 0.002(3) C102 0.036(4) 0.020(3) 0.028(3) -0.005(3) -0.001(3) 0.003(3) C103 0.057(6) 0.035(4) 0.042(4) 0.012(3) 0.012(4) -0.002(4) C104 0.056(6) 0.043(5) 0.034(4) 0.011(4) -0.007(4) 0.011(4) C105 0.041(5) 0.035(4) 0.050(5) 0.007(4) -0.008(4) 0.002(4) C106 0.043(5) 0.023(3) 0.036(4) -0.003(3) -0.001(3) -0.004(3) C100 0.099(9) 0.057(6) 0.061(6) 0.014(5) -0.008(6) -0.011(6) Cl11 0.126(3) 0.0632(16) 0.0691(16) -0.0170(13) 0.0254(17) 0.0113(17) Cl12 0.104(2) 0.0491(13) 0.0633(15) 0.0001(12) -0.0097(14) -0.0074(13) Cl21 0.095(2) 0.0718(18) 0.119(3) 0.0054(16) 0.0157(19) 0.0023(17) Cl22 0.095(2) 0.0718(18) 0.119(3) 0.0054(16) 0.0157(19) 0.0023(17) Cl2A 0.095(2) 0.0718(18) 0.119(3) 0.0054(16) 0.0157(19) 0.0023(17) Cl2B 0.095(2) 0.0718(18) 0.119(3) 0.0054(16) 0.0157(19) 0.0023(17) _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 C1 2.010(6) . ? Pt1 C11 2.080(6) . ? Pt1 P1 2.2958(17) . ? Pt1 P2 2.3014(17) . ? Pt1 Pt2 10.3066(4) . ? P1 C31 1.813(6) . ? P1 C21 1.836(7) . ? P1 C1A 1.834(7) . ? C1 C2 1.203(8) . ? C1A C2A 1.536(9) . ? C1B C2B 1.512(9) . ? C1B P3 1.845(6) . ? Pt2 C6 2.003(6) . ? Pt2 C61 2.065(6) . ? Pt2 P4 2.3059(18) . ? Pt2 P3 2.3093(18) . ? P2 C51 1.803(7) . ? P2 C3A 1.829(7) 3_656 ? P2 C41 1.817(6) . ? C2 C3 1.378(9) . ? C2A C3A 1.551(9) . ? C2B C3B 1.536(8) . ? P3 C71 1.831(7) . ? P3 C81 1.832(7) . ? C3 C4 1.210(9) . ? C3A P2 1.829(7) 3_656 ? C3B P4 1.831(6) 3_656 ? P4 C101 1.825(6) . ? P4 C91 1.829(7) . ? P4 C3B 1.831(6) 3_656 ? C4 C5 1.371(9) . ? C5 C6 1.225(9) . ? C11 C12 1.372(9) . ? C11 C16 1.375(10) . ? F12 C12 1.352(8) . ? C12 C13 1.379(9) . ? F13 C13 1.335(8) . ? C13 C14 1.362(11) . ? F14 C14 1.354(8) . ? C14 C15 1.370(11) . ? F15 C15 1.350(9) . ? C15 C16 1.378(10) . ? F16 C16 1.372(8) . ? C21 C26 1.359(11) . ? C21 C22 1.365(10) . ? C22 C23 1.378(11) . ? C23 C24 1.354(13) . ? C24 C25 1.328(14) . ? C25 C26 1.393(13) . ? C31 C36 1.375(9) . ? C31 C32 1.390(10) . ? C32 C33 1.376(10) . ? C33 C34 1.371(11) . ? C34 C35 1.385(11) . ? C35 C36 1.373(10) . ? C41 C46 1.374(10) . ? C41 C42 1.400(9) . ? C42 C43 1.402(10) . ? C43 C44 1.370(12) . ? C44 C45 1.385(11) . ? C45 C46 1.387(9) . ? C51 C52 1.387(10) . ? C51 C56 1.384(10) . ? C52 C53 1.383(11) . ? C53 C54 1.385(13) . ? C54 C55 1.368(12) . ? C55 C56 1.397(11) . ? C61 C62 1.394(9) . ? C61 C66 1.383(9) . ? F62 C62 1.367(8) . ? C62 C63 1.393(9) . ? F63 C63 1.348(8) . ? C63 C64 1.379(11) . ? F64 C64 1.341(7) . ? C64 C65 1.357(10) . ? F65 C65 1.339(8) . ? C65 C66 1.382(9) . ? F66 C66 1.355(7) . ? C71 C76 1.391(10) . ? C71 C72 1.380(10) . ? C72 C73 1.389(10) . ? C73 C74 1.398(12) . ? C74 C75 1.355(12) . ? C75 C76 1.394(10) . ? C81 C82 1.409(9) . ? C81 C86 1.371(9) . ? C82 C83 1.394(10) . ? C83 C84 1.377(11) . ? C84 C85 1.362(11) . ? C85 C86 1.408(10) . ? C91 C96 1.377(9) . ? C91 C92 1.403(9) . ? C92 C93 1.384(9) . ? C93 C94 1.370(11) . ? C94 C95 1.388(11) . ? C95 C96 1.387(9) . ? C101 C102 1.393(9) . ? C101 C106 1.398(9) . ? C102 C103 1.388(10) . ? C103 C104 1.390(11) . ? C104 C105 1.355(10) . ? C105 C106 1.403(10) . ? C100 Cl11 1.727(9) . ? C100 Cl12 1.732(10) . ? C200 Cl2A 0.81(2) . ? C200 Cl21 1.565(13) . ? C200 Cl22 1.618(13) . ? C200 C201 1.80(4) . ? Cl21 Cl2A 1.605(12) . ? Cl21 C201 2.19(4) . ? Cl22 C201 1.50(5) . ? Cl22 Cl2A 1.820(11) . ? C201 Cl2A 1.590(16) . ? C201 Cl2B 1.614(16) . ? 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 C1 Pt1 C11 176.8(3) . . ? C1 Pt1 P1 87.10(18) . . ? C11 Pt1 P1 91.11(19) . . ? C1 Pt1 P2 90.41(18) . . ? C11 Pt1 P2 91.65(18) . . ? P1 Pt1 P2 173.10(7) . . ? C1 Pt1 Pt2 9.43(19) . . ? C11 Pt1 Pt2 167.46(18) . . ? P1 Pt1 Pt2 83.49(4) . . ? P2 Pt1 Pt2 95.00(4) . . ? C31 P1 C21 103.0(3) . . ? C31 P1 C1A 105.5(3) . . ? C21 P1 C1A 106.0(3) . . ? C31 P1 Pt1 113.4(2) . . ? C21 P1 Pt1 116.8(2) . . ? C1A P1 Pt1 111.2(2) . . ? C2 C1 Pt1 175.8(6) . . ? C2A C1A P1 113.3(4) . . ? C2B C1B P3 113.2(5) . . ? C6 Pt2 C61 175.1(3) . . ? C6 Pt2 P4 88.66(19) . . ? C61 Pt2 P4 94.4(2) . . ? C6 Pt2 P3 86.09(19) . . ? C61 Pt2 P3 90.8(2) . . ? P4 Pt2 P3 174.57(6) . . ? C6 Pt2 Pt1 13.00(19) . . ? C61 Pt2 Pt1 162.27(18) . . ? P4 Pt2 Pt1 99.42(4) . . ? P3 Pt2 Pt1 75.20(4) . . ? C51 P2 C3A 102.8(3) . 3_656 ? C51 P2 C41 103.6(3) . . ? C3A P2 C41 109.3(3) 3_656 . ? C51 P2 Pt1 115.8(3) . . ? C3A P2 Pt1 112.8(2) 3_656 . ? C41 P2 Pt1 111.7(2) . . ? C1 C2 C3 178.1(8) . . ? C1A C2A C3A 110.4(5) . . ? C3B C2B C1B 113.6(5) . . ? C71 P3 C81 102.5(3) . . ? C71 P3 C1B 104.7(3) . . ? C81 P3 C1B 106.2(3) . . ? C71 P3 Pt2 114.6(2) . . ? C81 P3 Pt2 116.7(2) . . ? C1B P3 Pt2 111.1(2) . . ? C4 C3 C2 176.1(8) . . ? C2A C3A P2 116.0(5) . 3_656 ? C2B C3B P4 111.6(4) . 3_656 ? C101 P4 C91 101.6(3) . . ? C101 P4 C3B 103.9(3) . 3_656 ? C91 P4 C3B 105.3(3) . 3_656 ? C101 P4 Pt2 116.1(2) . . ? C91 P4 Pt2 118.0(2) . . ? C3B P4 Pt2 110.3(2) 3_656 . ? C3 C4 C5 178.1(9) . . ? C6 C5 C4 176.0(8) . . ? C5 C6 Pt2 170.9(6) . . ? C12 C11 C16 114.1(6) . . ? C12 C11 Pt1 123.3(5) . . ? C16 C11 Pt1 122.6(5) . . ? F12 C12 C11 119.9(6) . . ? F12 C12 C13 115.3(6) . . ? C11 C12 C13 124.8(7) . . ? C14 C13 F13 120.1(6) . . ? C14 C13 C12 118.2(7) . . ? F13 C13 C12 121.6(7) . . ? C13 C14 F14 119.9(7) . . ? C13 C14 C15 120.1(7) . . ? F14 C14 C15 120.0(7) . . ? F15 C15 C16 120.9(7) . . ? F15 C15 C14 120.0(7) . . ? C16 C15 C14 119.1(7) . . ? C15 C16 C11 123.7(7) . . ? C15 C16 F16 115.8(7) . . ? C11 C16 F16 120.5(6) . . ? C26 C21 C22 117.9(7) . . ? C26 C21 P1 122.9(7) . . ? C22 C21 P1 119.2(6) . . ? C23 C22 C21 121.5(8) . . ? C22 C23 C24 120.1(9) . . ? C25 C24 C23 118.8(9) . . ? C24 C25 C26 122.1(10) . . ? C21 C26 C25 119.6(9) . . ? C36 C31 C32 117.9(6) . . ? C36 C31 P1 122.7(5) . . ? C32 C31 P1 119.4(5) . . ? C31 C32 C33 121.3(7) . . ? C34 C33 C32 119.9(8) . . ? C33 C34 C35 119.4(7) . . ? C36 C35 C34 120.2(8) . . ? C35 C36 C31 121.2(8) . . ? C46 C41 C42 118.7(6) . . ? C46 C41 P2 120.7(5) . . ? C42 C41 P2 119.5(5) . . ? C41 C42 C43 119.3(7) . . ? C44 C43 C42 120.8(8) . . ? C45 C44 C43 120.2(7) . . ? C44 C45 C46 118.9(8) . . ? C41 C46 C45 122.1(7) . . ? C52 C51 C56 119.4(7) . . ? C52 C51 P2 119.3(6) . . ? C56 C51 P2 121.2(6) . . ? C51 C52 C53 120.1(8) . . ? C54 C53 C52 120.5(9) . . ? C55 C54 C53 119.7(8) . . ? C54 C55 C56 120.3(8) . . ? C51 C56 C55 120.0(8) . . ? C62 C61 C66 113.0(6) . . ? C62 C61 Pt2 120.8(5) . . ? C66 C61 Pt2 126.1(5) . . ? F62 C62 C63 116.1(6) . . ? F62 C62 C61 119.7(6) . . ? C63 C62 C61 124.2(7) . . ? F63 C63 C64 121.0(6) . . ? F63 C63 C62 120.2(7) . . ? C64 C63 C62 118.8(7) . . ? F64 C64 C63 118.8(7) . . ? F64 C64 C65 121.5(7) . . ? C63 C64 C65 119.7(6) . . ? F65 C65 C64 120.0(6) . . ? F65 C65 C66 120.5(7) . . ? C64 C65 C66 119.5(7) . . ? F66 C66 C65 116.4(6) . . ? F66 C66 C61 118.7(5) . . ? C65 C66 C61 124.8(6) . . ? C76 C71 C72 119.4(7) . . ? C76 C71 P3 120.4(6) . . ? C72 C71 P3 120.1(6) . . ? C71 C72 C73 120.6(8) . . ? C74 C73 C72 119.7(8) . . ? C73 C74 C75 119.5(7) . . ? C76 C75 C74 121.4(8) . . ? C75 C76 C71 119.4(8) . . ? C82 C81 C86 118.0(6) . . ? C82 C81 P3 120.0(5) . . ? C86 C81 P3 121.6(5) . . ? C81 C82 C83 120.2(7) . . ? C84 C83 C82 120.4(7) . . ? C85 C84 C83 120.1(7) . . ? C84 C85 C86 119.9(7) . . ? C81 C86 C85 121.4(7) . . ? C96 C91 C92 117.5(6) . . ? C96 C91 P4 124.2(5) . . ? C92 C91 P4 118.3(5) . . ? C91 C92 C93 120.4(7) . . ? C92 C93 C94 120.9(7) . . ? C95 C94 C93 119.7(7) . . ? C94 C95 C96 119.0(7) . . ? C91 C96 C95 122.4(7) . . ? C102 C101 C106 118.7(6) . . ? C102 C101 P4 122.3(5) . . ? C106 C101 P4 119.1(5) . . ? C101 C102 C103 120.8(7) . . ? C104 C103 C102 119.8(7) . . ? C105 C104 C103 120.1(7) . . ? C104 C105 C106 120.9(8) . . ? C105 C106 C101 119.7(7) . . ? Cl11 C100 Cl12 112.7(5) . . ? Cl2A C200 Cl21 77.9(14) . . ? Cl2A C200 Cl22 90.8(16) . . ? Cl21 C200 Cl22 130.0(14) . . ? Cl2A C200 C201 62(2) . . ? Cl21 C200 C201 80.7(16) . . ? Cl22 C200 C201 51.8(17) . . ? C200 Cl21 Cl2A 29.6(9) . . ? C200 Cl21 C201 54.3(13) . . ? Cl2A Cl21 C201 46.5(7) . . ? C201 Cl22 C200 70.3(15) . . ? C201 Cl22 Cl2A 56.2(9) . . ? C200 Cl22 Cl2A 26.4(9) . . ? Cl22 C201 Cl2A 72.1(14) . . ? Cl22 C201 Cl2B 108(3) . . ? Cl2A C201 Cl2B 132(2) . . ? Cl22 C201 C200 57.9(13) . . ? Cl2A C201 C200 26.8(10) . . ? Cl2B C201 C200 111(2) . . ? Cl22 C201 Cl21 101.3(17) . . ? Cl2A C201 Cl21 47.1(10) . . ? Cl2B C201 Cl21 88.1(16) . . ? C200 C201 Cl21 45.0(8) . . ? C200 Cl2A C201 91(3) . . ? C200 Cl2A Cl21 72.5(13) . . ? C201 Cl2A Cl21 86.4(15) . . ? C200 Cl2A Cl22 62.7(12) . . ? C201 Cl2A Cl22 51.7(18) . . ? Cl21 Cl2A Cl22 114.6(7) . . ? 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 C1 Pt1 P1 C31 47.4(3) . . . . ? C11 Pt1 P1 C31 -130.0(3) . . . . ? P2 Pt1 P1 C31 116.4(5) . . . . ? Pt2 Pt1 P1 C31 38.6(2) . . . . ? C1 Pt1 P1 C21 167.0(3) . . . . ? C11 Pt1 P1 C21 -10.4(3) . . . . ? P2 Pt1 P1 C21 -124.0(5) . . . . ? Pt2 Pt1 P1 C21 158.2(3) . . . . ? C1 Pt1 P1 C1A -71.2(3) . . . . ? C11 Pt1 P1 C1A 111.4(3) . . . . ? P2 Pt1 P1 C1A -2.2(6) . . . . ? Pt2 Pt1 P1 C1A -80.0(2) . . . . ? C11 Pt1 C1 C2 3(12) . . . . ? P1 Pt1 C1 C2 -53(9) . . . . ? P2 Pt1 C1 C2 133(9) . . . . ? Pt2 Pt1 C1 C2 14(8) . . . . ? C31 P1 C1A C2A -162.3(5) . . . . ? C21 P1 C1A C2A 88.9(5) . . . . ? Pt1 P1 C1A C2A -39.0(5) . . . . ? C1 Pt1 Pt2 C6 14.2(14) . . . . ? C11 Pt1 Pt2 C6 -168.7(12) . . . . ? P1 Pt1 Pt2 C6 126.3(8) . . . . ? P2 Pt1 Pt2 C6 -46.9(8) . . . . ? C1 Pt1 Pt2 C61 -160.9(13) . . . . ? C11 Pt1 Pt2 C61 16.2(11) . . . . ? P1 Pt1 Pt2 C61 -48.8(6) . . . . ? P2 Pt1 Pt2 C61 138.0(6) . . . . ? C1 Pt1 Pt2 P4 -20.3(11) . . . . ? C11 Pt1 Pt2 P4 156.8(9) . . . . ? P1 Pt1 Pt2 P4 91.79(6) . . . . ? P2 Pt1 Pt2 P4 -81.44(6) . . . . ? C1 Pt1 Pt2 P3 160.4(11) . . . . ? C11 Pt1 Pt2 P3 -22.5(9) . . . . ? P1 Pt1 Pt2 P3 -87.48(6) . . . . ? P2 Pt1 Pt2 P3 99.29(6) . . . . ? C1 Pt1 P2 C51 -88.2(3) . . . . ? C11 Pt1 P2 C51 89.4(3) . . . . ? P1 Pt1 P2 C51 -157.0(5) . . . . ? Pt2 Pt1 P2 C51 -79.9(2) . . . . ? C1 Pt1 P2 C3A 29.9(3) . . . 3_656 ? C11 Pt1 P2 C3A -152.5(3) . . . 3_656 ? P1 Pt1 P2 C3A -38.9(6) . . . 3_656 ? Pt2 Pt1 P2 C3A 38.2(2) . . . 3_656 ? C1 Pt1 P2 C41 153.5(3) . . . . ? C11 Pt1 P2 C41 -28.9(3) . . . . ? P1 Pt1 P2 C41 84.7(6) . . . . ? Pt2 Pt1 P2 C41 161.7(3) . . . . ? Pt1 C1 C2 C3 -79(29) . . . . ? P1 C1A C2A C3A -171.5(4) . . . . ? P3 C1B C2B C3B 177.9(4) . . . . ? C2B C1B P3 C71 164.3(5) . . . . ? C2B C1B P3 C81 -87.8(5) . . . . ? C2B C1B P3 Pt2 40.1(5) . . . . ? C6 Pt2 P3 C71 -66.5(3) . . . . ? C61 Pt2 P3 C71 117.3(3) . . . . ? P4 Pt2 P3 C71 -81.3(7) . . . . ? Pt1 Pt2 P3 C71 -73.7(2) . . . . ? C6 Pt2 P3 C81 173.8(3) . . . . ? C61 Pt2 P3 C81 -2.4(3) . . . . ? P4 Pt2 P3 C81 159.0(6) . . . . ? Pt1 Pt2 P3 C81 166.6(3) . . . . ? C6 Pt2 P3 C1B 51.9(3) . . . . ? C61 Pt2 P3 C1B -124.3(3) . . . . ? P4 Pt2 P3 C1B 37.0(7) . . . . ? Pt1 Pt2 P3 C1B 44.7(2) . . . . ? C1 C2 C3 C4 55(33) . . . . ? C1A C2A C3A P2 -146.8(5) . . . 3_656 ? C1B C2B C3B P4 -155.7(5) . . . 3_656 ? C6 Pt2 P4 C101 65.7(3) . . . . ? C61 Pt2 P4 C101 -118.2(3) . . . . ? P3 Pt2 P4 C101 80.5(7) . . . . ? Pt1 Pt2 P4 C101 73.0(2) . . . . ? C6 Pt2 P4 C91 -173.3(3) . . . . ? C61 Pt2 P4 C91 2.9(3) . . . . ? P3 Pt2 P4 C91 -158.5(6) . . . . ? Pt1 Pt2 P4 C91 -166.0(2) . . . . ? C6 Pt2 P4 C3B -52.2(3) . . . 3_656 ? C61 Pt2 P4 C3B 123.9(3) . . . 3_656 ? P3 Pt2 P4 C3B -37.4(7) . . . 3_656 ? Pt1 Pt2 P4 C3B -44.9(2) . . . 3_656 ? C2 C3 C4 C5 -17(32) . . . . ? C3 C4 C5 C6 35(31) . . . . ? C4 C5 C6 Pt2 23(14) . . . . ? C61 Pt2 C6 C5 0(6) . . . . ? P4 Pt2 C6 C5 128(4) . . . . ? P3 Pt2 C6 C5 -50(4) . . . . ? Pt1 Pt2 C6 C5 -18(3) . . . . ? C1 Pt1 C11 C12 -143(5) . . . . ? P1 Pt1 C11 C12 -87.4(6) . . . . ? P2 Pt1 C11 C12 86.3(6) . . . . ? Pt2 Pt1 C11 C12 -151.6(6) . . . . ? C1 Pt1 C11 C16 38(5) . . . . ? P1 Pt1 C11 C16 93.5(6) . . . . ? P2 Pt1 C11 C16 -92.8(6) . . . . ? Pt2 Pt1 C11 C16 29.3(13) . . . . ? C16 C11 C12 F12 -179.7(6) . . . . ? Pt1 C11 C12 F12 1.1(9) . . . . ? C16 C11 C12 C13 -2.3(10) . . . . ? Pt1 C11 C12 C13 178.6(5) . . . . ? F12 C12 C13 C14 -179.8(6) . . . . ? C11 C12 C13 C14 2.7(11) . . . . ? F12 C12 C13 F13 -1.8(10) . . . . ? C11 C12 C13 F13 -179.4(6) . . . . ? F13 C13 C14 F14 2.1(11) . . . . ? C12 C13 C14 F14 -180.0(7) . . . . ? F13 C13 C14 C15 -179.7(7) . . . . ? C12 C13 C14 C15 -1.8(12) . . . . ? C13 C14 C15 F15 -178.5(7) . . . . ? F14 C14 C15 F15 -0.4(12) . . . . ? C13 C14 C15 C16 0.8(12) . . . . ? F14 C14 C15 C16 178.9(7) . . . . ? F15 C15 C16 C11 178.8(7) . . . . ? C14 C15 C16 C11 -0.4(12) . . . . ? F15 C15 C16 F16 -0.2(11) . . . . ? C14 C15 C16 F16 -179.5(7) . . . . ? C12 C11 C16 C15 1.1(11) . . . . ? Pt1 C11 C16 C15 -179.8(6) . . . . ? C12 C11 C16 F16 -179.9(6) . . . . ? Pt1 C11 C16 F16 -0.7(9) . . . . ? C31 P1 C21 C26 -132.1(8) . . . . ? C1A P1 C21 C26 -21.6(8) . . . . ? Pt1 P1 C21 C26 102.9(8) . . . . ? C31 P1 C21 C22 50.1(7) . . . . ? C1A P1 C21 C22 160.7(6) . . . . ? Pt1 P1 C21 C22 -74.9(6) . . . . ? C26 C21 C22 C23 1.4(12) . . . . ? P1 C21 C22 C23 179.3(6) . . . . ? C21 C22 C23 C24 -0.9(13) . . . . ? C22 C23 C24 C25 0.3(16) . . . . ? C23 C24 C25 C26 0(2) . . . . ? C22 C21 C26 C25 -1.3(16) . . . . ? P1 C21 C26 C25 -179.1(9) . . . . ? C24 C25 C26 C21 1(2) . . . . ? C21 P1 C31 C36 87.2(7) . . . . ? C1A P1 C31 C36 -23.8(7) . . . . ? Pt1 P1 C31 C36 -145.6(6) . . . . ? C21 P1 C31 C32 -89.8(7) . . . . ? C1A P1 C31 C32 159.2(6) . . . . ? Pt1 P1 C31 C32 37.4(7) . . . . ? C36 C31 C32 C33 -0.4(12) . . . . ? P1 C31 C32 C33 176.8(7) . . . . ? C31 C32 C33 C34 2.2(13) . . . . ? C32 C33 C34 C35 -2.4(14) . . . . ? C33 C34 C35 C36 0.9(14) . . . . ? C34 C35 C36 C31 0.9(14) . . . . ? C32 C31 C36 C35 -1.2(12) . . . . ? P1 C31 C36 C35 -178.2(7) . . . . ? C51 P2 C41 C46 154.5(6) . . . . ? C3A P2 C41 C46 45.4(6) 3_656 . . . ? Pt1 P2 C41 C46 -80.1(6) . . . . ? C51 P2 C41 C42 -38.1(6) . . . . ? C3A P2 C41 C42 -147.2(5) 3_656 . . . ? Pt1 P2 C41 C42 87.3(5) . . . . ? C46 C41 C42 C43 -1.6(10) . . . . ? P2 C41 C42 C43 -169.3(5) . . . . ? C41 C42 C43 C44 1.0(11) . . . . ? C42 C43 C44 C45 -0.9(12) . . . . ? C43 C44 C45 C46 1.4(12) . . . . ? C42 C41 C46 C45 2.2(11) . . . . ? P2 C41 C46 C45 169.7(6) . . . . ? C44 C45 C46 C41 -2.0(12) . . . . ? C3A P2 C51 C52 -124.7(6) 3_656 . . . ? C41 P2 C51 C52 121.5(6) . . . . ? Pt1 P2 C51 C52 -1.2(7) . . . . ? C3A P2 C51 C56 57.1(7) 3_656 . . . ? C41 P2 C51 C56 -56.7(7) . . . . ? Pt1 P2 C51 C56 -179.4(5) . . . . ? C56 C51 C52 C53 0.1(12) . . . . ? P2 C51 C52 C53 -178.1(7) . . . . ? C51 C52 C53 C54 -0.9(14) . . . . ? C52 C53 C54 C55 1.5(15) . . . . ? C53 C54 C55 C56 -1.3(14) . . . . ? C52 C51 C56 C55 0.1(12) . . . . ? P2 C51 C56 C55 178.2(6) . . . . ? C54 C55 C56 C51 0.5(13) . . . . ? C6 Pt2 C61 C62 -115(3) . . . . ? P4 Pt2 C61 C62 116.9(5) . . . . ? P3 Pt2 C61 C62 -64.8(5) . . . . ? Pt1 Pt2 C61 C62 -102.0(7) . . . . ? C6 Pt2 C61 C66 66(3) . . . . ? P4 Pt2 C61 C66 -62.4(6) . . . . ? P3 Pt2 C61 C66 115.9(6) . . . . ? Pt1 Pt2 C61 C66 78.7(9) . . . . ? C66 C61 C62 F62 179.7(6) . . . . ? Pt2 C61 C62 F62 0.3(9) . . . . ? C66 C61 C62 C63 -0.3(10) . . . . ? Pt2 C61 C62 C63 -179.7(6) . . . . ? F62 C62 C63 F63 1.3(10) . . . . ? C61 C62 C63 F63 -178.7(7) . . . . ? F62 C62 C63 C64 -178.7(6) . . . . ? C61 C62 C63 C64 1.3(12) . . . . ? F63 C63 C64 F64 -1.6(11) . . . . ? C62 C63 C64 F64 178.4(6) . . . . ? F63 C63 C64 C65 177.6(7) . . . . ? C62 C63 C64 C65 -2.4(12) . . . . ? F64 C64 C65 F65 -0.6(12) . . . . ? C63 C64 C65 F65 -179.8(7) . . . . ? F64 C64 C65 C66 -178.3(7) . . . . ? C63 C64 C65 C66 2.6(12) . . . . ? F65 C65 C66 F66 1.6(11) . . . . ? C64 C65 C66 F66 179.2(7) . . . . ? F65 C65 C66 C61 -179.2(7) . . . . ? C64 C65 C66 C61 -1.6(12) . . . . ? C62 C61 C66 F66 179.6(6) . . . . ? Pt2 C61 C66 F66 -1.0(10) . . . . ? C62 C61 C66 C65 0.5(10) . . . . ? Pt2 C61 C66 C65 179.8(6) . . . . ? C81 P3 C71 C76 115.4(6) . . . . ? C1B P3 C71 C76 -134.0(6) . . . . ? Pt2 P3 C71 C76 -12.0(6) . . . . ? C81 P3 C71 C72 -60.0(6) . . . . ? C1B P3 C71 C72 50.6(7) . . . . ? Pt2 P3 C71 C72 172.6(5) . . . . ? C76 C71 C72 C73 1.1(12) . . . . ? P3 C71 C72 C73 176.5(6) . . . . ? C71 C72 C73 C74 -1.0(13) . . . . ? C72 C73 C74 C75 0.8(13) . . . . ? C73 C74 C75 C76 -0.7(13) . . . . ? C74 C75 C76 C71 0.9(12) . . . . ? C72 C71 C76 C75 -1.1(11) . . . . ? P3 C71 C76 C75 -176.5(5) . . . . ? C71 P3 C81 C82 -28.2(7) . . . . ? C1B P3 C81 C82 -137.7(6) . . . . ? Pt2 P3 C81 C82 97.8(6) . . . . ? C71 P3 C81 C86 159.4(6) . . . . ? C1B P3 C81 C86 49.9(7) . . . . ? Pt2 P3 C81 C86 -74.6(6) . . . . ? C86 C81 C82 C83 1.1(11) . . . . ? P3 C81 C82 C83 -171.6(6) . . . . ? C81 C82 C83 C84 -1.2(12) . . . . ? C82 C83 C84 C85 -0.1(13) . . . . ? C83 C84 C85 C86 1.4(13) . . . . ? C82 C81 C86 C85 0.2(11) . . . . ? P3 C81 C86 C85 172.8(6) . . . . ? C84 C85 C86 C81 -1.5(13) . . . . ? C101 P4 C91 C96 -110.6(6) . . . . ? C3B P4 C91 C96 -2.4(7) 3_656 . . . ? Pt2 P4 C91 C96 121.2(6) . . . . ? C101 P4 C91 C92 71.7(6) . . . . ? C3B P4 C91 C92 179.8(5) 3_656 . . . ? Pt2 P4 C91 C92 -56.6(6) . . . . ? C96 C91 C92 C93 -2.1(10) . . . . ? P4 C91 C92 C93 175.8(5) . . . . ? C91 C92 C93 C94 1.4(11) . . . . ? C92 C93 C94 C95 -0.6(12) . . . . ? C93 C94 C95 C96 0.8(12) . . . . ? C92 C91 C96 C95 2.3(10) . . . . ? P4 C91 C96 C95 -175.5(6) . . . . ? C94 C95 C96 C91 -1.7(12) . . . . ? C91 P4 C101 C102 -132.2(5) . . . . ? C3B P4 C101 C102 118.6(5) 3_656 . . . ? Pt2 P4 C101 C102 -2.8(6) . . . . ? C91 P4 C101 C106 46.8(6) . . . . ? C3B P4 C101 C106 -62.4(6) 3_656 . . . ? Pt2 P4 C101 C106 176.2(4) . . . . ? C106 C101 C102 C103 0.1(9) . . . . ? P4 C101 C102 C103 179.1(5) . . . . ? C101 C102 C103 C104 0.8(11) . . . . ? C102 C103 C104 C105 -0.4(12) . . . . ? C103 C104 C105 C106 -0.9(12) . . . . ? C104 C105 C106 C101 1.8(11) . . . . ? C102 C101 C106 C105 -1.4(9) . . . . ? P4 C101 C106 C105 179.6(5) . . . . ? Cl22 C200 Cl21 Cl2A -81(2) . . . . ? C201 C200 Cl21 Cl2A -63.2(19) . . . . ? Cl2A C200 Cl21 C201 63.2(19) . . . . ? Cl22 C200 Cl21 C201 -17.6(17) . . . . ? Cl2A C200 Cl22 C201 -53(2) . . . . ? Cl21 C200 Cl22 C201 22(2) . . . . ? Cl21 C200 Cl22 Cl2A 75(2) . . . . ? C201 C200 Cl22 Cl2A 53(2) . . . . ? C200 Cl22 C201 Cl2A 25.2(12) . . . . ? C200 Cl22 C201 Cl2B -104(2) . . . . ? Cl2A Cl22 C201 Cl2B -129(2) . . . . ? Cl2A Cl22 C201 C200 -25.2(12) . . . . ? C200 Cl22 C201 Cl21 -12.2(11) . . . . ? Cl2A Cl22 C201 Cl21 -37.4(7) . . . . ? Cl2A C200 C201 Cl22 116(2) . . . . ? Cl21 C200 C201 Cl22 -162.9(16) . . . . ? Cl21 C200 C201 Cl2A 81.2(16) . . . . ? Cl22 C200 C201 Cl2A -116(2) . . . . ? Cl2A C200 C201 Cl2B -146(4) . . . . ? Cl21 C200 C201 Cl2B -65(3) . . . . ? Cl22 C200 C201 Cl2B 98(3) . . . . ? Cl2A C200 C201 Cl21 -81.2(16) . . . . ? Cl22 C200 C201 Cl21 162.9(16) . . . . ? C200 Cl21 C201 Cl22 14.7(13) . . . . ? Cl2A Cl21 C201 Cl22 52.1(9) . . . . ? C200 Cl21 C201 Cl2A -37.4(13) . . . . ? C200 Cl21 C201 Cl2B 122(3) . . . . ? Cl2A Cl21 C201 Cl2B 160(3) . . . . ? Cl2A Cl21 C201 C200 37.4(13) . . . . ? Cl21 C200 Cl2A C201 -85.8(16) . . . . ? Cl22 C200 Cl2A C201 45.0(19) . . . . ? Cl22 C200 Cl2A Cl21 130.8(12) . . . . ? C201 C200 Cl2A Cl21 85.8(16) . . . . ? Cl21 C200 Cl2A Cl22 -130.8(12) . . . . ? C201 C200 Cl2A Cl22 -45.0(19) . . . . ? Cl22 C201 Cl2A C200 -53.1(18) . . . . ? Cl2B C201 Cl2A C200 45(4) . . . . ? Cl21 C201 Cl2A C200 72.4(13) . . . . ? Cl22 C201 Cl2A Cl21 -125.5(11) . . . . ? Cl2B C201 Cl2A Cl21 -28(4) . . . . ? C200 C201 Cl2A Cl21 -72.4(13) . . . . ? Cl2B C201 Cl2A Cl22 98(4) . . . . ? C200 C201 Cl2A Cl22 53.1(18) . . . . ? Cl21 C201 Cl2A Cl22 125.5(11) . . . . ? C201 Cl21 Cl2A C200 -92(3) . . . . ? C200 Cl21 Cl2A C201 92(3) . . . . ? C200 Cl21 Cl2A Cl22 47.7(16) . . . . ? C201 Cl21 Cl2A Cl22 -44.7(17) . . . . ? C201 Cl22 Cl2A C200 116(3) . . . . ? C200 Cl22 Cl2A C201 -116(3) . . . . ? C201 Cl22 Cl2A Cl21 63.3(17) . . . . ? C200 Cl22 Cl2A Cl21 -52.5(18) . . . . ? _diffrn_measured_fraction_theta_max 0.993 _diffrn_reflns_theta_full 27.47 _diffrn_measured_fraction_theta_full 0.993 _refine_diff_density_max 1.578 _refine_diff_density_min -1.524 _refine_diff_density_rms 0.295 # Attachment 'GO10.CIF' data_go10 _database_code_depnum_ccdc_archive 'CCDC 258766' #TrackingRef 'GO10.CIF' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C157 H130 Cl10 F20 O2 P8 Pt4' _chemical_formula_weight 1905.61 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' F F 0.0171 0.0103 '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' Cl Cl 0.1484 0.1585 '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' _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 18.9198(3) _cell_length_b 22.0175(3) _cell_length_c 19.5265(2) _cell_angle_alpha 90.00 _cell_angle_beta 101.2807(8) _cell_angle_gamma 90.00 _cell_volume 7976.94(19) _cell_formula_units_Z 2 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 17256 _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description cube _exptl_crystal_colour yellow _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.20 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.587 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3740 _exptl_absorpt_coefficient_mu 3.817 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.5157 _exptl_absorpt_correction_T_max 0.5157 _exptl_absorpt_process_details Scalepack _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus rotaing anode' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Nonius KappaCCD' _diffrn_measurement_method ? _diffrn_detector_area_resol_mean 9 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 34584 _diffrn_reflns_av_R_equivalents 0.0285 _diffrn_reflns_av_sigmaI/netI 0.0454 _diffrn_reflns_limit_h_min -24 _diffrn_reflns_limit_h_max 24 _diffrn_reflns_limit_k_min -28 _diffrn_reflns_limit_k_max 28 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_theta_min 1.41 _diffrn_reflns_theta_max 27.48 _reflns_number_total 18238 _reflns_number_gt 14180 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Nonius Collect' _computing_cell_refinement DENZO-SMN _computing_data_reduction DENZO-SMN _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'SHELXTL NT' _computing_publication_material 'SHELXTL NT' _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^)+(0.1000P)^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 'riding model' _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 18238 _refine_ls_number_parameters 906 _refine_ls_number_restraints 4 _refine_ls_R_factor_all 0.0626 _refine_ls_R_factor_gt 0.0442 _refine_ls_wR_factor_ref 0.1540 _refine_ls_wR_factor_gt 0.1410 _refine_ls_goodness_of_fit_ref 1.097 _refine_ls_restrained_S_all 1.098 _refine_ls_shift/su_max 0.112 _refine_ls_shift/su_mean 0.019 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 0.442726(12) 0.582109(10) -1.226700(10) 0.02652(8) Uani 1 1 d . . . P1 P 0.44180(8) 0.48205(6) -1.19111(7) 0.0269(3) Uani 1 1 d . . . C1B C 0.4091(3) 0.6715(3) -1.3720(3) 0.0367(14) Uani 1 1 d . . . H1BA H 0.3989 0.7132 -1.3901 0.044 Uiso 1 1 calc R . . H1BB H 0.4449 0.6533 -1.3968 0.044 Uiso 1 1 calc R . . C1' C 0.2880(4) 0.5070(3) -1.4988(3) 0.0344(13) Uani 1 1 d . . . C1A C 0.4185(3) 0.4299(3) -1.2656(3) 0.0292(12) Uani 1 1 d . . . H1AA H 0.4561 0.4318 -1.2945 0.035 Uiso 1 1 calc R . . H1AB H 0.4166 0.3877 -1.2484 0.035 Uiso 1 1 calc R . . C1 C 0.4979(3) 0.5512(3) -1.2972(3) 0.0365(14) Uani 1 1 d . . . Pt2 Pt 0.209701(11) 0.513807(9) -1.444973(10) 0.02578(8) Uani 1 1 d . . . P2 P 0.44797(8) 0.67523(7) -1.27856(8) 0.0304(3) Uani 1 1 d . . . C2A C 0.3452(3) 0.4472(3) -1.3103(3) 0.0309(12) Uani 1 1 d . . . H2AA H 0.3493 0.4868 -1.3330 0.037 Uiso 1 1 calc R . . H2AB H 0.3093 0.4515 -1.2798 0.037 Uiso 1 1 calc R . . C2B C 0.3392(4) 0.6340(3) -1.3880(3) 0.0448(17) Uani 1 1 d . . . H2BA H 0.3516 0.5903 -1.3884 0.054 Uiso 1 1 calc R . . H2BB H 0.3117 0.6405 -1.3504 0.054 Uiso 1 1 calc R . . C2 C 0.5351(4) 0.5330(3) -1.3366(3) 0.0389(14) Uani 1 1 d . . . C2' C 0.3317(4) 0.5041(3) -1.5363(4) 0.0399(15) Uani 1 1 d . . . P3 P 0.20343(8) 0.61402(7) -1.47705(7) 0.0295(3) Uani 1 1 d . . . C3B C 0.2918(3) 0.6509(3) -1.4582(3) 0.0358(14) Uani 1 1 d . . . H3BA H 0.3180 0.6404 -1.4958 0.043 Uiso 1 1 calc R . . H3BB H 0.2845 0.6954 -1.4594 0.043 Uiso 1 1 calc R . . C3A C 0.3189(3) 0.3992(3) -1.3663(3) 0.0319(12) Uani 1 1 d . . . H3AA H 0.3211 0.3587 -1.3439 0.038 Uiso 1 1 calc R . . H3AB H 0.3517 0.3986 -1.4000 0.038 Uiso 1 1 calc R . . C3 C 0.5801(4) 0.5156(3) -1.3789(4) 0.0452(16) Uani 1 1 d . . . C3' C 0.3781(4) 0.4954(3) -1.5828(4) 0.0462(17) Uani 1 1 d . . . P4 P 0.22654(8) 0.41312(6) -1.41367(8) 0.0277(3) Uani 1 1 d . . . C11 C 0.3941(3) 0.6200(3) -1.1511(3) 0.0314(12) Uani 1 1 d . . . F12 F 0.5061(2) 0.63008(19) -1.07158(19) 0.0499(10) Uani 1 1 d . . . C12 C 0.4326(4) 0.6388(3) -1.0860(3) 0.0387(14) Uani 1 1 d . . . F13 F 0.4441(3) 0.6854(2) -0.9749(2) 0.0685(14) Uani 1 1 d . . . C13 C 0.4044(5) 0.6681(3) -1.0370(3) 0.0489(18) Uani 1 1 d . . . F14 F 0.2996(3) 0.7058(2) -1.0000(2) 0.0790(17) Uani 1 1 d . . . C14 C 0.3311(5) 0.6800(3) -1.0489(4) 0.053(2) Uani 1 1 d . . . F15 F 0.2178(3) 0.6722(2) -1.1242(3) 0.0670(13) Uani 1 1 d . . . C15 C 0.2884(4) 0.6619(3) -1.1115(4) 0.0455(16) Uani 1 1 d . . . F16 F 0.2775(2) 0.61879(17) -1.22208(18) 0.0417(8) Uani 1 1 d . . . C16 C 0.3215(4) 0.6333(3) -1.1604(3) 0.0350(13) Uani 1 1 d . . . C21 C 0.1257(3) 0.5245(2) -1.3931(3) 0.0282(12) Uani 1 1 d . . . F22 F 0.1974(2) 0.50849(16) -1.28063(18) 0.0386(8) Uani 1 1 d . . . C22 C 0.1317(3) 0.5211(3) -1.3215(3) 0.0312(12) Uani 1 1 d . . . F23 F 0.0863(3) 0.5253(2) -1.21588(19) 0.0557(11) Uani 1 1 d . . . C23 C 0.0760(4) 0.5303(3) -1.2870(3) 0.0386(14) Uani 1 1 d . . . F24 F -0.0471(2) 0.5538(2) -1.2914(2) 0.0620(12) Uani 1 1 d . . . C24 C 0.0101(4) 0.5447(3) -1.3243(4) 0.0431(15) Uani 1 1 d . . . C25 C -0.0002(3) 0.5507(3) -1.3951(4) 0.0415(15) Uani 1 1 d . . . F25 F -0.0657(2) 0.5667(2) -1.4321(2) 0.0564(11) Uani 1 1 d . . . F26 F 0.04448(19) 0.55029(17) -1.49807(17) 0.0399(8) Uani 1 1 d . . . C26 C 0.0571(3) 0.5414(3) -1.4278(3) 0.0318(12) Uani 1 1 d . . . C31 C 0.5294(3) 0.4593(3) -1.1430(3) 0.0304(12) Uani 1 1 d . . . C32 C 0.5733(4) 0.4167(4) -1.1679(4) 0.053(2) Uani 1 1 d . . . H32A H 0.5571 0.3968 -1.2113 0.063 Uiso 1 1 calc R . . C33 C 0.6406(5) 0.4041(4) -1.1282(4) 0.065(2) Uani 1 1 d . . . H33A H 0.6710 0.3763 -1.1458 0.078 Uiso 1 1 calc R . . C34 C 0.6644(4) 0.4301(3) -1.0653(4) 0.0489(17) Uani 1 1 d . . . H34A H 0.7109 0.4207 -1.0392 0.059 Uiso 1 1 calc R . . C35 C 0.6207(4) 0.4700(3) -1.0396(3) 0.0442(16) Uani 1 1 d . . . H35A H 0.6367 0.4878 -0.9950 0.053 Uiso 1 1 calc R . . C36 C 0.5533(4) 0.4848(3) -1.0780(3) 0.0395(15) Uani 1 1 d . . . H36A H 0.5235 0.5126 -1.0595 0.047 Uiso 1 1 calc R . . C41 C 0.3792(3) 0.4567(3) -1.1370(3) 0.0298(12) Uani 1 1 d . . . C42 C 0.3956(4) 0.4098(3) -1.0885(3) 0.0372(14) Uani 1 1 d . . . H42A H 0.4425 0.3925 -1.0795 0.045 Uiso 1 1 calc R . . C43 C 0.3441(4) 0.3886(3) -1.0538(3) 0.0431(16) Uani 1 1 d . . . H43A H 0.3560 0.3571 -1.0203 0.052 Uiso 1 1 calc R . . C44 C 0.2761(4) 0.4120(3) -1.0668(4) 0.0472(17) Uani 1 1 d . . . H44A H 0.2409 0.3961 -1.0432 0.057 Uiso 1 1 calc R . . C45 C 0.2581(4) 0.4590(3) -1.1145(3) 0.0383(14) Uani 1 1 d . . . H45A H 0.2107 0.4755 -1.1234 0.046 Uiso 1 1 calc R . . C46 C 0.3090(3) 0.4812(3) -1.1485(3) 0.0337(13) Uani 1 1 d . . . H46A H 0.2970 0.5139 -1.1805 0.040 Uiso 1 1 calc R . . C51 C 0.4020(4) 0.7386(3) -1.2455(3) 0.0368(14) Uani 1 1 d . . . C52 C 0.4351(5) 0.7671(4) -1.1849(4) 0.0565(19) Uani 1 1 d . . . H52A H 0.4823 0.7553 -1.1627 0.068 Uiso 1 1 calc R . . C53 C 0.3997(6) 0.8135(4) -1.1558(5) 0.075(3) Uani 1 1 d . . . H53A H 0.4217 0.8328 -1.1135 0.090 Uiso 1 1 calc R . . C54 C 0.3301(6) 0.8307(4) -1.1914(6) 0.074(3) Uani 1 1 d . . . H54A H 0.3058 0.8630 -1.1735 0.089 Uiso 1 1 calc R . . C55 C 0.2974(5) 0.8022(4) -1.2503(4) 0.063(2) Uani 1 1 d . . . H55A H 0.2499 0.8134 -1.2723 0.076 Uiso 1 1 calc R . . C56 C 0.3333(4) 0.7566(3) -1.2785(4) 0.0500(17) Uani 1 1 d . . . H56A H 0.3108 0.7374 -1.3208 0.060 Uiso 1 1 calc R . . C61 C 0.5401(3) 0.7028(3) -1.2722(3) 0.0341(13) Uani 1 1 d . . . C62 C 0.5930(4) 0.6817(4) -1.2193(4) 0.063(2) Uani 1 1 d . . . H62A H 0.5816 0.6527 -1.1870 0.076 Uiso 1 1 calc R . . C63 C 0.6636(5) 0.7029(5) -1.2128(5) 0.081(3) Uani 1 1 d . . . H63A H 0.6996 0.6888 -1.1753 0.097 Uiso 1 1 calc R . . C64 C 0.6813(5) 0.7424(4) -1.2579(5) 0.063(2) Uani 1 1 d . . . H64A H 0.7299 0.7555 -1.2533 0.076 Uiso 1 1 calc R . . C65 C 0.6300(4) 0.7638(4) -1.3108(5) 0.060(2) Uani 1 1 d . . . H65A H 0.6426 0.7921 -1.3431 0.072 Uiso 1 1 calc R . . C66 C 0.5584(4) 0.7443(3) -1.3177(4) 0.0518(18) Uani 1 1 d . . . H66A H 0.5224 0.7600 -1.3543 0.062 Uiso 1 1 calc R . . C71 C 0.1438(4) 0.6607(3) -1.4356(3) 0.0358(14) Uani 1 1 d . . . C72 C 0.1583(4) 0.6641(3) -1.3626(3) 0.0422(15) Uani 1 1 d . . . H72A H 0.2006 0.6459 -1.3364 0.051 Uiso 1 1 calc R . . C73 C 0.1102(5) 0.6948(4) -1.3285(4) 0.062(2) Uani 1 1 d . . . H73A H 0.1195 0.6969 -1.2789 0.074 Uiso 1 1 calc R . . C74 C 0.0485(6) 0.7222(4) -1.3672(5) 0.079(3) Uani 1 1 d . . . H74A H 0.0164 0.7438 -1.3442 0.095 Uiso 1 1 calc R . . C75 C 0.0346(6) 0.7179(4) -1.4384(5) 0.076(3) Uani 1 1 d . . . H75A H -0.0076 0.7361 -1.4647 0.092 Uiso 1 1 calc R . . C76 C 0.0812(4) 0.6873(3) -1.4724(4) 0.0523(19) Uani 1 1 d . . . H76A H 0.0703 0.6844 -1.5219 0.063 Uiso 1 1 calc R . . C81 C 0.1727(3) 0.6255(3) -1.5701(3) 0.0336(13) Uani 1 1 d . . . C82 C 0.1733(4) 0.6837(3) -1.5984(3) 0.0426(15) Uani 1 1 d . . . H82A H 0.1900 0.7170 -1.5687 0.051 Uiso 1 1 calc R . . C83 C 0.1497(4) 0.6933(4) -1.6695(4) 0.0530(19) Uani 1 1 d . . . H83A H 0.1484 0.7333 -1.6882 0.064 Uiso 1 1 calc R . . C84 C 0.1277(4) 0.6437(4) -1.7137(3) 0.0522(19) Uani 1 1 d . . . H84A H 0.1129 0.6496 -1.7626 0.063 Uiso 1 1 calc R . . C85 C 0.1278(4) 0.5864(4) -1.6857(4) 0.054(2) Uani 1 1 d . . . H85A H 0.1128 0.5527 -1.7155 0.065 Uiso 1 1 calc R . . C86 C 0.1500(4) 0.5773(3) -1.6128(3) 0.0392(15) Uani 1 1 d . . . H86A H 0.1490 0.5377 -1.5937 0.047 Uiso 1 1 calc R . . C91 C 0.1675(3) 0.3841(3) -1.3587(3) 0.0321(12) Uani 1 1 d . . . C92 C 0.0931(4) 0.3811(3) -1.3868(3) 0.0382(14) Uani 1 1 d . . . H92A H 0.0763 0.3904 -1.4347 0.046 Uiso 1 1 calc R . . C93 C 0.0448(4) 0.3648(3) -1.3463(4) 0.0464(16) Uani 1 1 d . . . H93A H -0.0049 0.3614 -1.3669 0.056 Uiso 1 1 calc R . . C94 C 0.0673(4) 0.3535(4) -1.2757(4) 0.0530(19) Uani 1 1 d . . . H94A H 0.0331 0.3444 -1.2474 0.064 Uiso 1 1 calc R . . C95 C 0.1411(4) 0.3555(3) -1.2463(4) 0.0495(17) Uani 1 1 d . . . H95A H 0.1572 0.3463 -1.1982 0.059 Uiso 1 1 calc R . . C96 C 0.1910(4) 0.3707(3) -1.2873(3) 0.0386(14) Uani 1 1 d . . . H96A H 0.2409 0.3721 -1.2671 0.046 Uiso 1 1 calc R . . C101 C 0.2152(4) 0.3569(3) -1.4842(3) 0.0382(14) Uani 1 1 d . . . C102 C 0.2123(4) 0.3736(4) -1.5523(3) 0.0455(17) Uani 1 1 d . . . H10A H 0.2147 0.4152 -1.5643 0.055 Uiso 1 1 calc R . . C103 C 0.2059(5) 0.3285(5) -1.6048(5) 0.076(3) Uani 1 1 d . . . H10B H 0.2030 0.3396 -1.6522 0.091 Uiso 1 1 calc R . . C104 C 0.2040(7) 0.2681(5) -1.5863(6) 0.094(4) Uani 1 1 d . . . H10C H 0.2020 0.2376 -1.6211 0.113 Uiso 1 1 calc R . . C105 C 0.2050(7) 0.2510(5) -1.5170(6) 0.098(4) Uani 1 1 d . . . H10D H 0.2006 0.2096 -1.5050 0.117 Uiso 1 1 calc R . . C106 C 0.2127(5) 0.2960(4) -1.4663(5) 0.065(2) Uani 1 1 d . . . H10E H 0.2163 0.2850 -1.4187 0.078 Uiso 1 1 calc R . . Cl20 Cl 0.4167(2) 0.21938(17) -0.9872(2) 0.1327(14) Uani 1 1 d . . . Cl21 Cl 0.4848(2) 0.10185(16) -0.9783(2) 0.1186(12) Uani 1 1 d . . . Cl31 Cl -0.2642(5) 0.5663(3) -2.1290(3) 0.221(3) Uani 1 1 d D . . Cl32 Cl -0.2288(5) 0.5491(6) -2.2652(4) 0.288(5) Uani 1 1 d D . . C200 C 0.4174(5) 0.1489(4) -1.0241(5) 0.073(3) Uani 1 1 d . . . H20A H 0.4247 0.1535 -1.0727 0.088 Uiso 1 1 calc R . . H20B H 0.3700 0.1294 -1.0259 0.088 Uiso 1 1 calc R . . O211 O -0.0142(9) 0.1741(9) -1.3354(11) 0.218(7) Uani 1 1 d D . . C212 C 0.020(2) 0.1743(19) -1.4071(12) 0.39(4) Uani 1 1 d D . . H21A H 0.0160 0.1332 -1.4281 0.467 Uiso 1 1 calc R . . H21B H -0.0074 0.2029 -1.4416 0.467 Uiso 1 1 calc R . . C213 C 0.0867(18) 0.190(2) -1.3913(17) 0.30(3) Uani 1 1 d D . . H21C H 0.1147 0.1604 -1.4126 0.356 Uiso 1 1 calc R . . H21D H 0.0909 0.2297 -1.4150 0.356 Uiso 1 1 calc R . . C214 C 0.1169(18) 0.1966(12) -1.330(2) 0.26(2) Uani 1 1 d D . . H21E H 0.1318 0.2393 -1.3203 0.310 Uiso 1 1 calc R . . H21F H 0.1602 0.1703 -1.3193 0.310 Uiso 1 1 calc R . . C215 C 0.071(2) 0.1807(12) -1.2935(14) 0.31(3) Uani 1 1 d D . . H21G H 0.0720 0.2109 -1.2557 0.375 Uiso 1 1 calc R . . H21H H 0.0858 0.1412 -1.2712 0.375 Uiso 1 1 calc R . . C300 C -0.2910(10) 0.5289(12) -2.2149(7) 0.274(19) Uani 1 1 d D . . H30A H -0.3413 0.5296 -2.2412 0.328 Uiso 1 1 d R . . H30B H -0.2748 0.4862 -2.2070 0.328 Uiso 1 1 d R . . Cl51 Cl -0.1632(7) 0.3507(6) -2.0843(7) 0.191(5) Uiso 0.50 1 d PD . . Cl52 Cl -0.1347(9) 0.4239(8) -1.9704(9) 0.234(6) Uiso 0.50 1 d PD . . C500 C -0.127(2) 0.3653(17) -2.0110(15) 0.173(16) Uiso 0.50 1 d PD . . H50A H -0.0750 0.3606 -2.0096 0.208 Uiso 0.50 1 calc PR . . H50B H -0.1409 0.3320 -1.9820 0.208 Uiso 0.50 1 calc PR . . 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 0.02516(13) 0.02965(13) 0.02439(12) 0.00103(8) 0.00397(8) -0.00015(8) P1 0.0276(8) 0.0279(7) 0.0244(7) -0.0003(5) 0.0034(6) 0.0026(6) C1B 0.037(3) 0.045(3) 0.026(3) 0.009(3) 0.001(2) -0.015(3) C1' 0.039(4) 0.035(3) 0.030(3) 0.002(2) 0.009(3) -0.001(3) C1A 0.030(3) 0.031(3) 0.025(3) -0.001(2) 0.002(2) 0.001(2) C1 0.030(3) 0.043(3) 0.036(3) 0.004(3) 0.007(3) -0.003(3) Pt2 0.02475(13) 0.02934(13) 0.02327(12) -0.00111(8) 0.00478(8) -0.00018(8) P2 0.0276(8) 0.0322(7) 0.0300(7) 0.0024(6) 0.0018(6) -0.0048(6) C2A 0.027(3) 0.032(3) 0.033(3) -0.003(2) 0.006(2) 0.001(2) C2B 0.041(4) 0.045(4) 0.041(3) 0.012(3) -0.010(3) -0.012(3) C2 0.036(4) 0.044(3) 0.040(3) -0.002(3) 0.018(3) -0.001(3) C2' 0.038(4) 0.043(3) 0.044(4) 0.002(3) 0.020(3) 0.000(3) P3 0.0296(8) 0.0319(7) 0.0252(7) 0.0013(6) 0.0011(6) -0.0007(6) C3B 0.032(3) 0.038(3) 0.032(3) 0.006(3) -0.006(2) -0.006(3) C3A 0.028(3) 0.034(3) 0.032(3) -0.006(2) 0.002(2) 0.002(2) C3 0.048(4) 0.048(4) 0.044(4) 0.002(3) 0.020(3) 0.000(3) C3' 0.047(4) 0.040(4) 0.056(4) 0.005(3) 0.020(3) 0.004(3) P4 0.0265(8) 0.0279(7) 0.0281(7) -0.0039(6) 0.0039(6) 0.0007(6) C11 0.042(4) 0.028(3) 0.024(3) 0.000(2) 0.005(2) -0.001(2) F12 0.053(3) 0.056(2) 0.0352(19) -0.0074(18) -0.0055(17) -0.0026(19) C12 0.048(4) 0.032(3) 0.034(3) 0.000(3) 0.002(3) 0.007(3) F13 0.104(4) 0.060(3) 0.035(2) -0.018(2) -0.002(2) 0.005(3) C13 0.079(6) 0.037(3) 0.028(3) -0.007(3) 0.006(3) 0.001(3) F14 0.122(5) 0.061(3) 0.062(3) -0.013(2) 0.037(3) 0.041(3) C14 0.083(6) 0.037(4) 0.042(4) -0.004(3) 0.022(4) 0.017(4) F15 0.058(3) 0.074(3) 0.072(3) -0.004(2) 0.022(2) 0.032(2) C15 0.055(4) 0.041(4) 0.043(4) 0.003(3) 0.016(3) 0.018(3) F16 0.037(2) 0.049(2) 0.0386(19) 0.0005(16) 0.0055(15) 0.0051(17) C16 0.045(4) 0.032(3) 0.028(3) 0.001(2) 0.008(3) 0.008(3) C21 0.030(3) 0.026(3) 0.029(3) -0.004(2) 0.007(2) 0.000(2) F22 0.038(2) 0.046(2) 0.0301(17) 0.0027(15) 0.0024(15) 0.0089(16) C22 0.033(3) 0.032(3) 0.028(3) 0.001(2) 0.003(2) 0.004(2) F23 0.066(3) 0.075(3) 0.0295(19) 0.0033(19) 0.0196(18) 0.012(2) C23 0.050(4) 0.040(3) 0.029(3) -0.004(3) 0.015(3) -0.001(3) F24 0.048(3) 0.080(3) 0.068(3) -0.008(2) 0.035(2) 0.008(2) C24 0.036(4) 0.047(4) 0.046(4) -0.006(3) 0.009(3) 0.006(3) C25 0.024(3) 0.051(4) 0.049(4) -0.007(3) 0.008(3) 0.003(3) F25 0.028(2) 0.082(3) 0.058(2) -0.006(2) 0.0046(18) 0.006(2) F26 0.0319(19) 0.054(2) 0.0305(17) -0.0021(16) -0.0009(14) -0.0010(16) C26 0.032(3) 0.035(3) 0.026(3) -0.004(2) 0.003(2) 0.003(2) C31 0.030(3) 0.031(3) 0.029(3) 0.002(2) 0.002(2) 0.006(2) C32 0.047(4) 0.069(5) 0.040(4) -0.012(3) 0.004(3) 0.021(4) C33 0.052(5) 0.078(6) 0.059(5) -0.017(4) -0.003(4) 0.032(4) C34 0.032(4) 0.060(4) 0.051(4) 0.005(3) -0.001(3) 0.013(3) C35 0.039(4) 0.052(4) 0.036(3) -0.002(3) -0.007(3) -0.002(3) C36 0.039(4) 0.042(4) 0.035(3) -0.008(3) 0.000(3) 0.007(3) C41 0.035(3) 0.027(3) 0.028(3) -0.002(2) 0.005(2) -0.005(2) C42 0.039(4) 0.035(3) 0.037(3) 0.000(3) 0.007(3) 0.005(3) C43 0.055(4) 0.035(3) 0.039(3) 0.014(3) 0.008(3) 0.000(3) C44 0.050(4) 0.050(4) 0.044(4) 0.000(3) 0.014(3) -0.015(3) C45 0.037(4) 0.045(4) 0.034(3) 0.001(3) 0.009(3) -0.003(3) C46 0.031(3) 0.036(3) 0.032(3) -0.002(2) 0.001(2) 0.004(2) C51 0.048(4) 0.028(3) 0.037(3) 0.006(2) 0.014(3) 0.002(3) C52 0.061(5) 0.052(4) 0.055(4) -0.009(4) 0.009(4) 0.006(4) C53 0.090(7) 0.068(6) 0.067(6) -0.025(5) 0.017(5) -0.006(5) C54 0.087(7) 0.055(5) 0.093(7) 0.015(5) 0.049(6) 0.027(5) C55 0.073(6) 0.067(5) 0.054(5) 0.008(4) 0.024(4) 0.025(5) C56 0.045(4) 0.053(4) 0.055(4) 0.008(3) 0.015(3) 0.013(3) C61 0.037(3) 0.033(3) 0.032(3) -0.003(2) 0.006(2) -0.008(3) C62 0.039(4) 0.078(6) 0.065(5) 0.020(4) -0.008(4) -0.013(4) C63 0.047(5) 0.087(7) 0.093(7) 0.027(6) -0.024(5) -0.024(5) C64 0.042(5) 0.055(5) 0.096(7) -0.004(4) 0.021(4) -0.021(4) C65 0.047(5) 0.050(4) 0.085(6) 0.016(4) 0.019(4) -0.014(4) C66 0.044(4) 0.046(4) 0.062(4) 0.012(3) 0.004(3) -0.009(3) C71 0.046(4) 0.029(3) 0.033(3) -0.002(2) 0.007(3) 0.002(3) C72 0.056(4) 0.037(3) 0.035(3) -0.008(3) 0.013(3) -0.009(3) C73 0.089(7) 0.048(4) 0.049(4) -0.017(4) 0.017(4) -0.001(4) C74 0.111(8) 0.063(5) 0.069(6) -0.010(5) 0.034(6) 0.034(6) C75 0.079(7) 0.077(6) 0.076(6) 0.012(5) 0.024(5) 0.042(5) C76 0.062(5) 0.056(4) 0.038(3) 0.004(3) 0.006(3) 0.025(4) C81 0.029(3) 0.044(3) 0.027(3) 0.004(3) 0.002(2) -0.001(3) C82 0.043(4) 0.043(4) 0.038(3) 0.007(3) -0.002(3) -0.002(3) C83 0.047(4) 0.072(5) 0.040(4) 0.024(4) 0.006(3) -0.005(4) C84 0.041(4) 0.085(6) 0.029(3) 0.011(4) 0.002(3) -0.007(4) C85 0.051(5) 0.077(5) 0.028(3) -0.003(3) -0.006(3) -0.002(4) C86 0.036(4) 0.053(4) 0.028(3) 0.001(3) 0.006(3) -0.005(3) C91 0.029(3) 0.029(3) 0.038(3) 0.003(2) 0.005(2) -0.001(2) C92 0.038(4) 0.041(3) 0.034(3) 0.001(3) 0.002(3) -0.002(3) C93 0.034(4) 0.049(4) 0.055(4) 0.002(3) 0.007(3) 0.000(3) C94 0.050(5) 0.059(5) 0.053(4) 0.009(4) 0.017(3) -0.007(4) C95 0.045(4) 0.055(4) 0.047(4) 0.017(3) 0.003(3) 0.001(3) C96 0.035(3) 0.038(3) 0.040(3) 0.011(3) 0.003(3) 0.002(3) C101 0.036(4) 0.032(3) 0.044(3) -0.013(3) 0.002(3) -0.002(3) C102 0.038(4) 0.061(4) 0.036(3) -0.021(3) 0.003(3) -0.006(3) C103 0.071(6) 0.103(8) 0.056(5) -0.036(5) 0.021(4) -0.014(5) C104 0.125(10) 0.075(7) 0.084(7) -0.052(6) 0.026(7) -0.030(6) C105 0.149(11) 0.054(6) 0.095(8) -0.046(6) 0.035(7) -0.021(6) C106 0.087(7) 0.051(5) 0.061(5) -0.019(4) 0.027(5) -0.003(4) Cl20 0.149(3) 0.095(2) 0.139(3) 0.000(2) -0.009(3) 0.013(2) Cl21 0.099(2) 0.102(2) 0.129(3) -0.016(2) -0.040(2) -0.0054(18) Cl31 0.280(8) 0.209(6) 0.165(5) 0.054(4) 0.022(5) -0.048(6) Cl32 0.241(9) 0.441(15) 0.204(7) 0.009(8) 0.099(6) 0.110(9) C200 0.063(6) 0.078(6) 0.077(6) -0.006(5) 0.012(5) -0.010(5) O211 0.165(13) 0.30(2) 0.207(16) 0.063(16) 0.070(12) 0.001(14) C212 0.64(9) 0.25(4) 0.16(3) 0.01(3) -0.21(4) 0.05(5) C213 0.34(7) 0.28(5) 0.35(6) 0.14(5) 0.27(6) 0.05(4) C214 0.18(2) 0.092(14) 0.49(7) 0.02(3) 0.02(4) -0.043(15) C215 0.52(7) 0.18(3) 0.18(2) 0.065(19) -0.07(3) -0.18(4) C300 0.22(3) 0.37(4) 0.17(2) 0.12(2) -0.11(2) -0.18(3) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Pt1 C1 2.001(7) . ? Pt1 C11 2.063(6) . ? Pt1 P2 2.2975(15) . ? Pt1 P1 2.3112(14) . ? Pt1 Pt1 11.8633(4) 3_662 ? P1 C31 1.809(6) . ? P1 C41 1.823(6) . ? P1 C1A 1.838(6) . ? C1B C2B 1.539(8) . ? C1B P2 1.831(6) . ? C1' C2' 1.208(9) . ? C1' Pt2 1.983(7) . ? C1A C2A 1.536(8) . ? C1 C2 1.209(9) . ? Pt2 C21 2.057(6) . ? Pt2 P3 2.2902(15) . ? Pt2 P4 2.3051(14) . ? Pt2 Pt2 11.6142(5) 3_662 ? P2 C61 1.826(6) . ? P2 C51 1.828(6) . ? C2A C3A 1.532(8) . ? C2B C3B 1.529(8) . ? C2 C3 1.353(9) . ? C2' C3' 1.395(10) . ? P3 C81 1.815(6) . ? P3 C71 1.827(6) . ? P3 C3B 1.830(6) . ? C3A P4 1.836(6) . ? C3 C3' 1.214(10) 3_662 ? C3' C3 1.214(10) 3_662 ? P4 C91 1.811(6) . ? P4 C101 1.832(6) . ? C11 C16 1.381(9) . ? C11 C12 1.399(8) . ? F12 C12 1.377(8) . ? C12 C13 1.348(10) . ? F13 C13 1.350(8) . ? C13 C14 1.385(11) . ? F14 C14 1.348(8) . ? C14 C15 1.385(11) . ? F15 C15 1.330(8) . ? C15 C16 1.390(9) . ? F16 C16 1.361(7) . ? C21 C22 1.382(8) . ? C21 C26 1.392(8) . ? F22 C22 1.368(7) . ? C22 C23 1.374(9) . ? F23 C23 1.368(7) . ? C23 C24 1.354(9) . ? F24 C24 1.378(8) . ? C24 C25 1.363(9) . ? C25 F25 1.354(7) . ? C25 C26 1.377(9) . ? F26 C26 1.360(6) . ? C31 C36 1.382(8) . ? C31 C32 1.400(9) . ? C32 C33 1.383(10) . ? C33 C34 1.349(11) . ? C34 C35 1.368(10) . ? C35 C36 1.384(9) . ? C41 C42 1.394(8) . ? C41 C46 1.410(8) . ? C42 C43 1.374(10) . ? C43 C44 1.362(11) . ? C44 C45 1.390(10) . ? C45 C46 1.362(9) . ? C51 C52 1.377(10) . ? C51 C56 1.391(10) . ? C52 C53 1.402(12) . ? C53 C54 1.415(14) . ? C54 C55 1.348(14) . ? C55 C56 1.386(11) . ? C61 C66 1.365(9) . ? C61 C62 1.372(9) . ? C62 C63 1.398(11) . ? C63 C64 1.326(12) . ? C64 C65 1.356(12) . ? C65 C66 1.403(11) . ? C71 C76 1.389(9) . ? C71 C72 1.400(8) . ? C72 C73 1.402(11) . ? C73 C74 1.399(13) . ? C74 C75 1.366(13) . ? C75 C76 1.377(11) . ? C81 C86 1.366(9) . ? C81 C82 1.395(9) . ? C82 C83 1.391(9) . ? C83 C84 1.404(11) . ? C84 C85 1.374(11) . ? C85 C86 1.418(9) . ? C91 C96 1.408(8) . ? C91 C92 1.409(9) . ? C92 C93 1.369(10) . ? C93 C94 1.384(10) . ? C94 C95 1.404(10) . ? C95 C96 1.393(10) . ? C101 C102 1.372(10) . ? C101 C106 1.388(11) . ? C102 C103 1.414(11) . ? C103 C104 1.381(15) . ? C104 C105 1.400(15) . ? C105 C106 1.388(11) . ? Cl20 C200 1.712(10) . ? Cl21 C200 1.748(10) . ? Cl31 C300 1.847(15) . ? Cl32 C300 1.733(15) . ? O211 C215 1.66(3) . ? O211 C212 1.65(3) . ? C212 C213 1.29(3) . ? C213 C214 1.23(5) . ? C214 C215 1.28(3) . ? Cl51 C500 1.50(2) . ? Cl52 C500 1.53(2) . ? 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 C1 Pt1 C11 174.3(2) . . ? C1 Pt1 P2 85.82(19) . . ? C11 Pt1 P2 91.05(16) . . ? C1 Pt1 P1 85.31(19) . . ? C11 Pt1 P1 98.03(16) . . ? P2 Pt1 P1 170.66(5) . . ? C1 Pt1 Pt1 20.99(17) . 3_662 ? C11 Pt1 Pt1 162.35(16) . 3_662 ? P2 Pt1 Pt1 81.04(4) . 3_662 ? P1 Pt1 Pt1 89.63(4) . 3_662 ? C31 P1 C41 104.4(3) . . ? C31 P1 C1A 106.9(3) . . ? C41 P1 C1A 100.7(3) . . ? C31 P1 Pt1 111.1(2) . . ? C41 P1 Pt1 120.65(19) . . ? C1A P1 Pt1 111.86(19) . . ? C2B C1B P2 112.8(4) . . ? C2' C1' Pt2 174.8(6) . . ? C2A C1A P1 110.1(4) . . ? C2 C1 Pt1 175.9(6) . . ? C1' Pt2 C21 176.7(2) . . ? C1' Pt2 P3 86.09(18) . . ? C21 Pt2 P3 91.17(16) . . ? C1' Pt2 P4 89.38(18) . . ? C21 Pt2 P4 93.42(16) . . ? P3 Pt2 P4 174.93(6) . . ? C1' Pt2 Pt2 20.96(18) . 3_662 ? C21 Pt2 Pt2 161.14(15) . 3_662 ? P3 Pt2 Pt2 90.01(4) . 3_662 ? P4 Pt2 Pt2 84.96(4) . 3_662 ? C61 P2 C51 103.6(3) . . ? C61 P2 C1B 105.9(3) . . ? C51 P2 C1B 105.1(3) . . ? C61 P2 Pt1 112.9(2) . . ? C51 P2 Pt1 117.5(2) . . ? C1B P2 Pt1 110.8(2) . . ? C1A C2A C3A 111.4(5) . . ? C3B C2B C1B 112.4(5) . . ? C1 C2 C3 176.0(8) . . ? C1' C2' C3' 173.9(8) . . ? C81 P3 C71 105.1(3) . . ? C81 P3 C3B 103.9(3) . . ? C71 P3 C3B 106.3(3) . . ? C81 P3 Pt2 113.4(2) . . ? C71 P3 Pt2 115.1(2) . . ? C3B P3 Pt2 112.1(2) . . ? C2B C3B P3 115.1(4) . . ? C2A C3A P4 112.8(4) . . ? C3' C3 C2 175.0(8) 3_662 . ? C3 C3' C2' 175.8(8) 3_662 . ? C91 P4 C3A 106.2(3) . . ? C91 P4 C101 102.2(3) . . ? C3A P4 C101 103.0(3) . . ? C91 P4 Pt2 115.3(2) . . ? C3A P4 Pt2 111.3(2) . . ? C101 P4 Pt2 117.4(2) . . ? C16 C11 C12 112.7(5) . . ? C16 C11 Pt1 124.2(4) . . ? C12 C11 Pt1 122.9(5) . . ? C13 C12 F12 116.5(6) . . ? C13 C12 C11 125.3(7) . . ? F12 C12 C11 118.1(6) . . ? C12 C13 F13 123.0(7) . . ? C12 C13 C14 119.5(6) . . ? F13 C13 C14 117.5(6) . . ? F14 C14 C15 118.9(8) . . ? F14 C14 C13 121.9(7) . . ? C15 C14 C13 119.1(6) . . ? F15 C15 C14 120.5(6) . . ? F15 C15 C16 121.2(6) . . ? C14 C15 C16 118.2(7) . . ? F16 C16 C11 119.1(5) . . ? F16 C16 C15 115.8(6) . . ? C11 C16 C15 125.1(6) . . ? C22 C21 C26 113.0(5) . . ? C22 C21 Pt2 124.9(4) . . ? C26 C21 Pt2 121.9(4) . . ? F22 C22 C23 116.1(5) . . ? F22 C22 C21 119.2(5) . . ? C23 C22 C21 124.8(6) . . ? C24 C23 F23 120.0(6) . . ? C24 C23 C22 119.0(6) . . ? F23 C23 C22 121.0(6) . . ? C23 C24 C25 120.2(6) . . ? C23 C24 F24 120.5(6) . . ? C25 C24 F24 119.3(6) . . ? F25 C25 C24 120.0(6) . . ? F25 C25 C26 120.9(6) . . ? C24 C25 C26 119.1(6) . . ? F26 C26 C25 116.6(5) . . ? F26 C26 C21 119.5(5) . . ? C25 C26 C21 123.9(6) . . ? C36 C31 C32 118.8(6) . . ? C36 C31 P1 117.8(5) . . ? C32 C31 P1 123.4(5) . . ? C33 C32 C31 118.9(7) . . ? C34 C33 C32 122.1(7) . . ? C33 C34 C35 119.2(7) . . ? C34 C35 C36 120.8(6) . . ? C31 C36 C35 120.2(6) . . ? C42 C41 C46 118.0(6) . . ? C42 C41 P1 122.4(5) . . ? C46 C41 P1 119.3(4) . . ? C43 C42 C41 120.1(6) . . ? C44 C43 C42 120.9(6) . . ? C43 C44 C45 120.5(7) . . ? C46 C45 C44 119.2(7) . . ? C45 C46 C41 121.3(6) . . ? C52 C51 C56 119.7(7) . . ? C52 C51 P2 118.9(6) . . ? C56 C51 P2 121.3(5) . . ? C51 C52 C53 120.5(8) . . ? C54 C53 C52 117.9(8) . . ? C55 C54 C53 121.4(8) . . ? C54 C55 C56 119.9(9) . . ? C55 C56 C51 120.5(8) . . ? C66 C61 C62 118.4(7) . . ? C66 C61 P2 122.6(5) . . ? C62 C61 P2 119.0(5) . . ? C61 C62 C63 119.9(8) . . ? C64 C63 C62 121.4(8) . . ? C63 C64 C65 119.8(8) . . ? C64 C65 C66 120.1(7) . . ? C61 C66 C65 120.4(7) . . ? C76 C71 C72 118.7(6) . . ? C76 C71 P3 123.2(5) . . ? C72 C71 P3 117.8(5) . . ? C73 C72 C71 119.6(7) . . ? C72 C73 C74 120.1(7) . . ? C75 C74 C73 119.6(8) . . ? C76 C75 C74 120.7(8) . . ? C75 C76 C71 121.3(7) . . ? C86 C81 C82 119.9(5) . . ? C86 C81 P3 120.2(5) . . ? C82 C81 P3 119.9(5) . . ? C83 C82 C81 120.6(6) . . ? C84 C83 C82 119.6(7) . . ? C85 C84 C83 119.5(6) . . ? C84 C85 C86 120.5(7) . . ? C81 C86 C85 119.9(6) . . ? C96 C91 C92 118.3(6) . . ? C96 C91 P4 123.3(5) . . ? C92 C91 P4 118.0(5) . . ? C93 C92 C91 121.1(6) . . ? C92 C93 C94 120.9(7) . . ? C93 C94 C95 119.3(7) . . ? C94 C95 C96 120.3(7) . . ? C95 C96 C91 120.1(6) . . ? C102 C101 C106 120.3(6) . . ? C102 C101 P4 121.6(5) . . ? C106 C101 P4 118.0(6) . . ? C101 C102 C103 119.8(8) . . ? C104 C103 C102 119.4(9) . . ? C103 C104 C105 121.0(8) . . ? C106 C105 C104 118.5(10) . . ? C101 C106 C105 121.0(9) . . ? Cl20 C200 Cl21 112.7(5) . . ? C215 O211 C212 85.4(19) . . ? C213 C212 O211 109(2) . . ? C214 C213 C212 121(3) . . ? C213 C214 C215 106(3) . . ? C214 C215 O211 117(3) . . ? Cl32 C300 Cl31 107.7(10) . . ? Cl51 C500 Cl52 127(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 C1 Pt1 P1 C31 74.0(3) . . . . ? C11 Pt1 P1 C31 -101.4(3) . . . . ? P2 Pt1 P1 C31 92.5(4) . . . . ? Pt1 Pt1 P1 C31 94.6(2) 3_662 . . . ? C1 Pt1 P1 C41 -163.4(3) . . . . ? C11 Pt1 P1 C41 21.2(3) . . . . ? P2 Pt1 P1 C41 -145.0(4) . . . . ? Pt1 Pt1 P1 C41 -142.9(2) 3_662 . . . ? C1 Pt1 P1 C1A -45.4(3) . . . . ? C11 Pt1 P1 C1A 139.2(3) . . . . ? P2 Pt1 P1 C1A -26.9(4) . . . . ? Pt1 Pt1 P1 C1A -24.8(2) 3_662 . . . ? C31 P1 C1A C2A -178.7(4) . . . . ? C41 P1 C1A C2A 72.5(4) . . . . ? Pt1 P1 C1A C2A -56.9(4) . . . . ? C11 Pt1 C1 C2 40(10) . . . . ? P2 Pt1 C1 C2 96(8) . . . . ? P1 Pt1 C1 C2 -87(8) . . . . ? Pt1 Pt1 C1 C2 172(9) 3_662 . . . ? C2' C1' Pt2 C21 -29(9) . . . . ? C2' C1' Pt2 P3 -62(7) . . . . ? C2' C1' Pt2 P4 120(7) . . . . ? C2' C1' Pt2 Pt2 -163(7) . . . 3_662 ? C2B C1B P2 C61 165.1(5) . . . . ? C2B C1B P2 C51 -85.5(5) . . . . ? C2B C1B P2 Pt1 42.3(6) . . . . ? C1 Pt1 P2 C61 -62.0(3) . . . . ? C11 Pt1 P2 C61 113.2(3) . . . . ? P1 Pt1 P2 C61 -80.5(4) . . . . ? Pt1 Pt1 P2 C61 -82.6(2) 3_662 . . . ? C1 Pt1 P2 C51 177.4(3) . . . . ? C11 Pt1 P2 C51 -7.3(3) . . . . ? P1 Pt1 P2 C51 159.0(4) . . . . ? Pt1 Pt1 P2 C51 156.8(2) 3_662 . . . ? C1 Pt1 P2 C1B 56.6(3) . . . . ? C11 Pt1 P2 C1B -128.1(3) . . . . ? P1 Pt1 P2 C1B 38.2(4) . . . . ? Pt1 Pt1 P2 C1B 36.0(2) 3_662 . . . ? P1 C1A C2A C3A -171.5(4) . . . . ? P2 C1B C2B C3B 157.1(5) . . . . ? Pt1 C1 C2 C3 -41(18) . . . . ? Pt2 C1' C2' C3' -68(11) . . . . ? C1' Pt2 P3 C81 66.3(3) . . . . ? C21 Pt2 P3 C81 -111.9(3) . . . . ? P4 Pt2 P3 C81 93.0(6) . . . . ? Pt2 Pt2 P3 C81 86.9(2) 3_662 . . . ? C1' Pt2 P3 C71 -172.6(3) . . . . ? C21 Pt2 P3 C71 9.2(3) . . . . ? P4 Pt2 P3 C71 -145.9(6) . . . . ? Pt2 Pt2 P3 C71 -152.0(2) 3_662 . . . ? C1' Pt2 P3 C3B -51.0(3) . . . . ? C21 Pt2 P3 C3B 130.8(3) . . . . ? P4 Pt2 P3 C3B -24.3(7) . . . . ? Pt2 Pt2 P3 C3B -30.4(2) 3_662 . . . ? C1B C2B C3B P3 -173.9(5) . . . . ? C81 P3 C3B C2B -164.3(5) . . . . ? C71 P3 C3B C2B 85.1(6) . . . . ? Pt2 P3 C3B C2B -41.4(6) . . . . ? C1A C2A C3A P4 172.8(4) . . . . ? C1 C2 C3 C3' -33(19) . . . 3_662 ? C1' C2' C3' C3 -69(16) . . . 3_662 ? C2A C3A P4 C91 -81.1(5) . . . . ? C2A C3A P4 C101 171.8(5) . . . . ? C2A C3A P4 Pt2 45.1(5) . . . . ? C1' Pt2 P4 C91 -179.8(3) . . . . ? C21 Pt2 P4 C91 -1.5(3) . . . . ? P3 Pt2 P4 C91 153.5(6) . . . . ? Pt2 Pt2 P4 C91 159.6(2) 3_662 . . . ? C1' Pt2 P4 C3A 59.1(3) . . . . ? C21 Pt2 P4 C3A -122.5(3) . . . . ? P3 Pt2 P4 C3A 32.5(6) . . . . ? Pt2 Pt2 P4 C3A 38.6(2) 3_662 . . . ? C1' Pt2 P4 C101 -59.2(3) . . . . ? C21 Pt2 P4 C101 119.1(3) . . . . ? P3 Pt2 P4 C101 -85.9(6) . . . . ? Pt2 Pt2 P4 C101 -79.7(2) 3_662 . . . ? C1 Pt1 C11 C16 137(2) . . . . ? P2 Pt1 C11 C16 81.0(5) . . . . ? P1 Pt1 C11 C16 -96.8(5) . . . . ? Pt1 Pt1 C11 C16 18.1(10) 3_662 . . . ? C1 Pt1 C11 C12 -38(3) . . . . ? P2 Pt1 C11 C12 -94.6(5) . . . . ? P1 Pt1 C11 C12 87.6(5) . . . . ? Pt1 Pt1 C11 C12 -157.4(4) 3_662 . . . ? C16 C11 C12 C13 -1.6(9) . . . . ? Pt1 C11 C12 C13 174.4(5) . . . . ? C16 C11 C12 F12 -177.6(5) . . . . ? Pt1 C11 C12 F12 -1.6(8) . . . . ? F12 C12 C13 F13 -3.7(10) . . . . ? C11 C12 C13 F13 -179.8(6) . . . . ? F12 C12 C13 C14 178.1(6) . . . . ? C11 C12 C13 C14 2.1(11) . . . . ? C12 C13 C14 F14 175.9(7) . . . . ? F13 C13 C14 F14 -2.3(11) . . . . ? C12 C13 C14 C15 -0.6(11) . . . . ? F13 C13 C14 C15 -178.8(6) . . . . ? F14 C14 C15 F15 2.8(11) . . . . ? C13 C14 C15 F15 179.4(7) . . . . ? F14 C14 C15 C16 -177.7(6) . . . . ? C13 C14 C15 C16 -1.1(11) . . . . ? C12 C11 C16 F16 178.6(5) . . . . ? Pt1 C11 C16 F16 2.6(8) . . . . ? C12 C11 C16 C15 -0.3(9) . . . . ? Pt1 C11 C16 C15 -176.2(5) . . . . ? F15 C15 C16 F16 2.2(9) . . . . ? C14 C15 C16 F16 -177.3(6) . . . . ? F15 C15 C16 C11 -178.9(6) . . . . ? C14 C15 C16 C11 1.6(10) . . . . ? C1' Pt2 C21 C22 -145(4) . . . . ? P3 Pt2 C21 C22 -112.0(5) . . . . ? P4 Pt2 C21 C22 65.9(5) . . . . ? Pt2 Pt2 C21 C22 -18.5(9) 3_662 . . . ? C1' Pt2 C21 C26 29(4) . . . . ? P3 Pt2 C21 C26 62.3(5) . . . . ? P4 Pt2 C21 C26 -119.8(5) . . . . ? Pt2 Pt2 C21 C26 155.8(4) 3_662 . . . ? C26 C21 C22 F22 -176.2(5) . . . . ? Pt2 C21 C22 F22 -1.4(8) . . . . ? C26 C21 C22 C23 3.0(9) . . . . ? Pt2 C21 C22 C23 177.7(5) . . . . ? F22 C22 C23 C24 178.1(6) . . . . ? C21 C22 C23 C24 -1.1(10) . . . . ? F22 C22 C23 F23 -1.7(9) . . . . ? C21 C22 C23 F23 179.1(6) . . . . ? F23 C23 C24 C25 179.0(6) . . . . ? C22 C23 C24 C25 -0.8(11) . . . . ? F23 C23 C24 F24 -0.6(10) . . . . ? C22 C23 C24 F24 179.5(6) . . . . ? C23 C24 C25 F25 -178.2(6) . . . . ? F24 C24 C25 F25 1.4(10) . . . . ? C23 C24 C25 C26 0.5(11) . . . . ? F24 C24 C25 C26 -179.9(6) . . . . ? F25 C25 C26 F26 1.2(9) . . . . ? C24 C25 C26 F26 -177.5(6) . . . . ? F25 C25 C26 C21 -179.6(6) . . . . ? C24 C25 C26 C21 1.7(10) . . . . ? C22 C21 C26 F26 175.9(5) . . . . ? Pt2 C21 C26 F26 1.0(8) . . . . ? C22 C21 C26 C25 -3.3(9) . . . . ? Pt2 C21 C26 C25 -178.2(5) . . . . ? C41 P1 C31 C36 -62.7(6) . . . . ? C1A P1 C31 C36 -168.9(5) . . . . ? Pt1 P1 C31 C36 68.8(5) . . . . ? C41 P1 C31 C32 116.1(6) . . . . ? C1A P1 C31 C32 9.9(7) . . . . ? Pt1 P1 C31 C32 -112.4(6) . . . . ? C36 C31 C32 C33 -3.5(12) . . . . ? P1 C31 C32 C33 177.7(7) . . . . ? C31 C32 C33 C34 2.2(15) . . . . ? C32 C33 C34 C35 0.2(14) . . . . ? C33 C34 C35 C36 -1.3(12) . . . . ? C32 C31 C36 C35 2.5(10) . . . . ? P1 C31 C36 C35 -178.6(5) . . . . ? C34 C35 C36 C31 -0.1(11) . . . . ? C31 P1 C41 C42 -23.5(6) . . . . ? C1A P1 C41 C42 87.3(5) . . . . ? Pt1 P1 C41 C42 -149.1(4) . . . . ? C31 P1 C41 C46 162.6(4) . . . . ? C1A P1 C41 C46 -86.6(5) . . . . ? Pt1 P1 C41 C46 36.9(5) . . . . ? C46 C41 C42 C43 0.3(9) . . . . ? P1 C41 C42 C43 -173.8(5) . . . . ? C41 C42 C43 C44 1.2(10) . . . . ? C42 C43 C44 C45 -1.5(11) . . . . ? C43 C44 C45 C46 0.3(10) . . . . ? C44 C45 C46 C41 1.1(9) . . . . ? C42 C41 C46 C45 -1.4(9) . . . . ? P1 C41 C46 C45 172.8(5) . . . . ? C61 P2 C51 C52 -45.9(6) . . . . ? C1B P2 C51 C52 -156.9(6) . . . . ? Pt1 P2 C51 C52 79.4(6) . . . . ? C61 P2 C51 C56 137.0(6) . . . . ? C1B P2 C51 C56 26.0(6) . . . . ? Pt1 P2 C51 C56 -97.7(5) . . . . ? C56 C51 C52 C53 0.9(12) . . . . ? P2 C51 C52 C53 -176.2(7) . . . . ? C51 C52 C53 C54 -1.4(14) . . . . ? C52 C53 C54 C55 2.3(15) . . . . ? C53 C54 C55 C56 -2.5(14) . . . . ? C54 C55 C56 C51 2.0(13) . . . . ? C52 C51 C56 C55 -1.1(11) . . . . ? P2 C51 C56 C55 175.9(6) . . . . ? C51 P2 C61 C66 -75.2(6) . . . . ? C1B P2 C61 C66 35.2(7) . . . . ? Pt1 P2 C61 C66 156.6(5) . . . . ? C51 P2 C61 C62 104.0(7) . . . . ? C1B P2 C61 C62 -145.7(6) . . . . ? Pt1 P2 C61 C62 -24.2(7) . . . . ? C66 C61 C62 C63 0.2(13) . . . . ? P2 C61 C62 C63 -179.0(8) . . . . ? C61 C62 C63 C64 -1.5(16) . . . . ? C62 C63 C64 C65 1.5(16) . . . . ? C63 C64 C65 C66 -0.1(15) . . . . ? C62 C61 C66 C65 1.1(12) . . . . ? P2 C61 C66 C65 -179.7(6) . . . . ? C64 C65 C66 C61 -1.2(13) . . . . ? C81 P3 C71 C76 11.5(7) . . . . ? C3B P3 C71 C76 121.2(6) . . . . ? Pt2 P3 C71 C76 -114.1(6) . . . . ? C81 P3 C71 C72 -175.5(5) . . . . ? C3B P3 C71 C72 -65.7(6) . . . . ? Pt2 P3 C71 C72 59.0(5) . . . . ? C76 C71 C72 C73 -0.7(10) . . . . ? P3 C71 C72 C73 -174.1(6) . . . . ? C71 C72 C73 C74 -0.7(12) . . . . ? C72 C73 C74 C75 1.4(15) . . . . ? C73 C74 C75 C76 -0.7(16) . . . . ? C74 C75 C76 C71 -0.7(15) . . . . ? C72 C71 C76 C75 1.4(12) . . . . ? P3 C71 C76 C75 174.4(7) . . . . ? C71 P3 C81 C86 -120.8(6) . . . . ? C3B P3 C81 C86 127.7(6) . . . . ? Pt2 P3 C81 C86 5.8(6) . . . . ? C71 P3 C81 C82 60.0(6) . . . . ? C3B P3 C81 C82 -51.4(6) . . . . ? Pt2 P3 C81 C82 -173.4(5) . . . . ? C86 C81 C82 C83 1.1(11) . . . . ? P3 C81 C82 C83 -179.7(6) . . . . ? C81 C82 C83 C84 -2.5(11) . . . . ? C82 C83 C84 C85 2.0(12) . . . . ? C83 C84 C85 C86 -0.2(12) . . . . ? C82 C81 C86 C85 0.7(10) . . . . ? P3 C81 C86 C85 -178.4(6) . . . . ? C84 C85 C86 C81 -1.2(12) . . . . ? C3A P4 C91 C96 16.1(6) . . . . ? C101 P4 C91 C96 123.7(5) . . . . ? Pt2 P4 C91 C96 -107.7(5) . . . . ? C3A P4 C91 C92 -171.0(5) . . . . ? C101 P4 C91 C92 -63.4(5) . . . . ? Pt2 P4 C91 C92 65.2(5) . . . . ? C96 C91 C92 C93 -0.8(10) . . . . ? P4 C91 C92 C93 -174.0(5) . . . . ? C91 C92 C93 C94 2.8(11) . . . . ? C92 C93 C94 C95 -3.4(12) . . . . ? C93 C94 C95 C96 2.1(12) . . . . ? C94 C95 C96 C91 -0.2(11) . . . . ? C92 C91 C96 C95 -0.5(9) . . . . ? P4 C91 C96 C95 172.3(5) . . . . ? C91 P4 C101 C102 141.1(6) . . . . ? C3A P4 C101 C102 -108.8(6) . . . . ? Pt2 P4 C101 C102 13.9(7) . . . . ? C91 P4 C101 C106 -41.8(7) . . . . ? C3A P4 C101 C106 68.3(7) . . . . ? Pt2 P4 C101 C106 -169.0(6) . . . . ? C106 C101 C102 C103 0.8(11) . . . . ? P4 C101 C102 C103 177.9(6) . . . . ? C101 C102 C103 C104 -1.2(14) . . . . ? C102 C103 C104 C105 2.9(18) . . . . ? C103 C104 C105 C106 -4(2) . . . . ? C102 C101 C106 C105 -2.1(14) . . . . ? P4 C101 C106 C105 -179.2(9) . . . . ? C104 C105 C106 C101 3.6(18) . . . . ? C215 O211 C212 C213 -12(4) . . . . ? O211 C212 C213 C214 8(7) . . . . ? C212 C213 C214 C215 3(7) . . . . ? C213 C214 C215 O211 -14(5) . . . . ? C212 O211 C215 C214 15(3) . . . . ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 27.48 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 4.285 _refine_diff_density_min -1.500 _refine_diff_density_rms 0.199