#Supplementary Material (ESI) for Dalton Transactions #This journal is (c) The Royal Society of Chemistry 2001 data_global _journal_coden_Cambridge 186 _publ_requested_journal 'Dalton Transactions' loop_ _publ_author_name 'Falvello, L.' 'Fornies, Juan' 'Gomez, Julio' 'Lalinde, Elena' 'Martin, Antonio' 'Martinez, Francisco' 'Moreno, M. Teresa' _publ_contact_author_name 'Prof Juan Fornies' _publ_contact_author_address ; Prof Juan Fornies Instituto de Ciencia de Materiales de Aragon Universidad de Zaragoza-Consejo Superior de Investigaciones Cientificas 50009 Zaragoza SPAIN ; _publ_contact_author_email 'FORNIESJ@POSTA.UNIZAR.ES' _publ_section_title ; ; data_15 _database_code_CSD 164450 _audit_creation_method SHELXL _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_sum 'C110 H80 F20 P4 Pt2' _chemical_formula_weight 2295.80 _chemical_melting_point ? _chemical_compound_source ? 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' _symmetry_cell_setting ? _symmetry_space_group_name_H-M ? 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 14.7657(11) _cell_length_b 20.3282(15) _cell_length_c 15.9687(14) _cell_angle_alpha 90.00 _cell_angle_beta 104.139(10) _cell_angle_gamma 90.00 _cell_volume 4648.0(6) _cell_formula_units_Z 2 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.23 _exptl_crystal_size_min 0.09 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.640 _exptl_crystal_density_method ? _exptl_crystal_F_000 2272 _exptl_absorpt_coefficient_mu 3.166 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 150(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device ? _diffrn_measurement_method ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 7807 _diffrn_reflns_av_R_equivalents 0.0586 _diffrn_reflns_av_sigmaI/netI 0.1590 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 24 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 2.00 _diffrn_reflns_theta_max 24.95 _reflns_number_total 7471 _reflns_number_observed 4505 _reflns_observed_criterion >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-86 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-93 (Sheldrick, 1993)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement on F^2^ for ALL reflections except for 3 with very negative F^2^ or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses 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 observed criterion of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.0514P)^2^+7.3601P] 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 ? _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 7468 _refine_ls_number_parameters 601 _refine_ls_number_restraints 5 _refine_ls_R_factor_all 0.1478 _refine_ls_R_factor_obs 0.0614 _refine_ls_wR_factor_all 0.1587 _refine_ls_wR_factor_obs 0.1239 _refine_ls_goodness_of_fit_all 1.038 _refine_ls_goodness_of_fit_obs 1.072 _refine_ls_restrained_S_all 1.040 _refine_ls_restrained_S_obs 1.072 _refine_ls_shift/esd_max 0.000 _refine_ls_shift/esd_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_thermal_displace_type _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_group Pt Pt 0.66985(3) 0.55980(3) -0.28409(3) 0.02554(15) Uani 1 d . . P1 P 0.6383(2) 0.5564(2) -0.4299(2) 0.0284(7) Uani 1 d . . F1 F 0.6075(5) 0.6550(4) -0.1435(5) 0.045(2) Uani 1 d . . F2 F 0.6520(6) 0.6550(5) 0.0288(5) 0.063(3) Uani 1 d . . F3 F 0.7683(6) 0.5613(5) 0.1170(4) 0.060(2) Uani 1 d . . F4 F 0.8419(7) 0.4691(5) 0.0303(5) 0.067(3) Uani 1 d . . F5 F 0.8002(5) 0.4688(4) -0.1407(5) 0.048(2) Uani 1 d . . F6 F 0.4954(5) 0.6546(4) -0.3197(5) 0.047(2) Uani 1 d . . F7 F 0.3229(6) 0.6453(5) -0.2972(6) 0.059(3) Uani 1 d . . F8 F 0.2592(5) 0.5255(5) -0.2564(6) 0.064(3) Uani 1 d . . F9 F 0.3749(6) 0.4194(4) -0.2299(5) 0.054(2) Uani 1 d . . F10 F 0.5499(5) 0.4319(4) -0.2414(5) 0.047(2) Uani 1 d . . C1 C 0.7019(7) 0.5624(7) -0.1514(7) 0.022(3) Uani 1 d . . C2 C 0.6670(9) 0.6069(7) -0.1036(8) 0.032(3) Uani 1 d . . C3 C 0.6872(9) 0.6080(7) -0.0143(9) 0.038(3) Uani 1 d . . C4 C 0.7451(10) 0.5626(9) 0.0291(8) 0.047(4) Uani 1 d . . C5 C 0.7829(9) 0.5153(8) -0.0128(9) 0.043(4) Uani 1 d . . C6 C 0.7615(9) 0.5164(7) -0.1015(9) 0.036(3) Uani 1 d . . C7 C 0.5335(8) 0.5433(7) -0.2818(7) 0.028(3) Uani 1 d . . C8 C 0.4685(9) 0.5949(7) -0.2961(8) 0.036(3) Uani 1 d . . C9 C 0.3792(9) 0.5927(8) -0.2850(9) 0.040(4) Uani 1 d . . C10 C 0.3487(10) 0.5306(10) -0.2630(9) 0.050(5) Uani 1 d . . C11 C 0.4063(11) 0.4790(9) -0.2500(9) 0.044(4) Uani 1 d . . C12 C 0.4972(9) 0.4853(7) -0.2577(8) 0.033(3) Uani 1 d . . C13 C 0.7990(8) 0.5896(7) -0.2801(7) 0.027(3) Uani 1 d . . C14 C 0.8746(10) 0.6149(7) -0.2790(9) 0.037(4) Uani 1 d . . C15 C 0.9571(10) 0.6479(8) -0.2874(9) 0.042(4) Uani 1 d . . C16 C 0.9537(13) 0.7023(11) -0.3366(11) 0.089(7) Uani 1 d . . H16A H 0.8945(13) 0.7190(11) -0.3665(11) 0.107 Uiso 1 calc R . C17 C 1.0359(16) 0.7353(13) -0.3451(13) 0.113(10) Uani 1 d . . H17A H 1.0324(16) 0.7737(13) -0.3797(13) 0.136 Uiso 1 calc R . C18 C 1.1173(15) 0.7107(14) -0.3034(12) 0.086(8) Uani 1 d . . H18A H 1.1728(15) 0.7307(14) -0.3112(12) 0.103 Uiso 1 calc R . C19 C 1.1246(12) 0.6600(11) -0.2517(15) 0.078(7) Uani 1 d . . H19A H 1.1846(12) 0.6451(11) -0.2209(15) 0.094 Uiso 1 calc R . C20 C 1.0444(10) 0.6276(8) -0.2416(12) 0.057(5) Uani 1 d . . H20A H 1.0500(10) 0.5914(8) -0.2031(12) 0.069 Uiso 1 calc R . C21 C 0.5348(9) 0.5151(7) -0.4837(8) 0.037(4) Uani 1 d . . C22 C 0.6234(8) 0.6378(7) -0.4802(8) 0.032(3) Uani 1 d . . C23 C 0.6510(11) 0.6915(8) -0.4311(10) 0.050(4) Uani 1 d . . H23A H 0.6739(11) 0.6866(8) -0.3705(10) 0.060 Uiso 1 calc R . C24 C 0.6466(12) 0.7543(8) -0.4674(11) 0.061(5) Uani 1 d . . H24A H 0.6682(12) 0.7918(8) -0.4328(11) 0.073 Uiso 1 calc R . C25 C 0.6102(12) 0.7600(10) -0.5547(13) 0.066(5) Uani 1 d . . H25A H 0.6052(12) 0.8021(10) -0.5812(13) 0.079 Uiso 1 calc R . C26 C 0.5814(10) 0.7060(9) -0.6031(11) 0.053(5) Uani 1 d . . H26A H 0.5567(10) 0.7109(9) -0.6635(11) 0.063 Uiso 1 calc R . C27 C 0.5864(9) 0.6457(9) -0.5686(10) 0.050(4) Uani 1 d . . H27A H 0.5650(9) 0.6086(9) -0.6041(10) 0.060 Uiso 1 calc R . C28 C 0.7248(9) 0.5168(7) -0.4779(8) 0.032(3) Uani 1 d . . C29 C 0.8015(8) 0.5519(9) -0.4889(8) 0.046(4) Uani 1 d . . H29A H 0.8069(8) 0.5973(9) -0.4742(8) 0.055 Uiso 1 calc R . C30 C 0.8708(10) 0.5221(10) -0.5210(9) 0.057(5) Uani 1 d . . H30A H 0.9226(10) 0.5463(10) -0.5298(9) 0.068 Uiso 1 calc R . C31 C 0.8610(11) 0.4549(11) -0.5397(10) 0.067(6) Uani 1 d . . H31A H 0.9084(11) 0.4332(11) -0.5602(10) 0.081 Uiso 1 calc R . C32 C 0.7872(11) 0.4200(10) -0.5300(9) 0.060(5) Uani 1 d . . H32A H 0.7813(11) 0.3747(10) -0.5451(9) 0.072 Uiso 1 calc R . C33 C 0.7205(9) 0.4507(8) -0.4978(9) 0.045(4) Uani 1 d . . H33A H 0.6695(9) 0.4256(8) -0.4888(9) 0.054 Uiso 1 calc R . P2 P 0.5203(3) 0.8756(2) -0.2567(2) 0.0314(8) Uani 1 d . . C34 C 0.5157(10) 0.9626(6) -0.2381(9) 0.044(4) Uani 1 d . . H34A H 0.4506(10) 0.9774(6) -0.2539(9) 0.066 Uiso 1 calc R . H34B H 0.5512(10) 0.9858(6) -0.2734(9) 0.066 Uiso 1 calc R . H34C H 0.5428(10) 0.9720(6) -0.1770(9) 0.066 Uiso 1 calc R . C35 C 0.4522(9) 0.8359(7) -0.1947(8) 0.033(3) Uani 1 d . . C36 C 0.4902(11) 0.7932(8) -0.1284(10) 0.062(5) Uani 1 d . . H36A H 0.5552(11) 0.7840(8) -0.1153(10) 0.075 Uiso 1 calc R . C37 C 0.4359(11) 0.7638(11) -0.0810(12) 0.093(8) Uani 1 d . . H37A H 0.4618(11) 0.7313(11) -0.0393(12) 0.112 Uiso 1 calc R . C38 C 0.3429(11) 0.7817(9) -0.0943(10) 0.063(5) Uani 1 d . . H38A H 0.3058(11) 0.7647(9) -0.0583(10) 0.076 Uiso 1 calc R . C39 C 0.3062(10) 0.8232(8) -0.1585(10) 0.053(4) Uani 1 d . . H39A H 0.2418(10) 0.8340(8) -0.1691(10) 0.064 Uiso 1 calc R . C40 C 0.3573(10) 0.8500(8) -0.2082(10) 0.051(4) Uani 1 d . . H40A H 0.3285(10) 0.8792(8) -0.2535(10) 0.061 Uiso 1 calc R . C41 C 0.4712(9) 0.8585(7) -0.3688(8) 0.033(3) Uani 1 d . . C42 C 0.4934(9) 0.9011(8) -0.4299(9) 0.043(4) Uani 1 d . . H42A H 0.5320(9) 0.9383(8) -0.4114(9) 0.051 Uiso 1 calc R . C43 C 0.4589(10) 0.8890(9) -0.5174(9) 0.051(4) Uani 1 d . . H43A H 0.4734(10) 0.9177(9) -0.5592(9) 0.062 Uiso 1 calc R . C44 C 0.4040(9) 0.8351(8) -0.5426(9) 0.045(4) Uani 1 d . . H44A H 0.3780(9) 0.8277(8) -0.6023(9) 0.054 Uiso 1 calc R . C45 C 0.3854(10) 0.7915(8) -0.4836(9) 0.048(4) Uani 1 d . . H45A H 0.3507(10) 0.7527(8) -0.5025(9) 0.058 Uiso 1 calc R . C46 C 0.4174(10) 0.8043(8) -0.3968(9) 0.046(4) Uani 1 d . . H46A H 0.4020(10) 0.7752(8) -0.3559(9) 0.055 Uiso 1 calc R . C47 C 0.6362(8) 0.8456(6) -0.2295(8) 0.026(3) Uani 1 d . . C48 C 0.6559(10) 0.7815(7) -0.2384(8) 0.037(4) Uani 1 d . . H48A H 0.6053(10) 0.7524(7) -0.2597(8) 0.045 Uiso 1 calc R . C49 C 0.7435(10) 0.7561(8) -0.2189(9) 0.049(4) Uani 1 d . . H49A H 0.7553(10) 0.7104(8) -0.2232(9) 0.058 Uiso 1 calc R . C50 C 0.8135(10) 0.8010(10) -0.1926(9) 0.053(5) Uani 1 d . . H50A H 0.8758(10) 0.7850(10) -0.1813(9) 0.064 Uiso 1 calc R . C51 C 0.8019(11) 0.8663(9) -0.1813(10) 0.054(5) Uani 1 d . . H51A H 0.8535(11) 0.8951(9) -0.1620(10) 0.064 Uiso 1 calc R . C52 C 0.7082(9) 0.8893(7) -0.2000(8) 0.039(4) Uani 1 d . . H52A H 0.6954(9) 0.9344(7) -0.1923(8) 0.046 Uiso 1 calc R . C53 C 0.8671(14) 0.8825(8) -0.4785(15) 0.180(11) Uani 1 d D . H53A H 0.8235(14) 0.8526(8) -0.5165(15) 0.270 Uiso 1 calc R . H53B H 0.8333(14) 0.9087(8) -0.4444(15) 0.270 Uiso 1 calc R . H53C H 0.9160(14) 0.8568(8) -0.4396(15) 0.270 Uiso 1 calc R . C54 C 0.9119(13) 0.9286(8) -0.5334(10) 0.180(11) Uani 1 d D . H54A H 0.9457(13) 0.9025(8) -0.5684(10) 0.216 Uiso 1 calc R . H54C H 0.8628(13) 0.9545(8) -0.5732(10) 0.216 Uiso 1 calc R . C55 C 0.9801(14) 0.9752(8) -0.4728(6) 0.180(11) Uani 1 d D . H55A H 0.9471(14) 0.9988(8) -0.4349(6) 0.216 Uiso 1 calc R . H55C H 1.0316(14) 0.9494(8) -0.4359(6) 0.216 Uiso 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 Pt 0.0161(2) 0.0367(3) 0.0239(2) 0.0008(3) 0.0049(2) -0.0008(3) P1 0.0125(13) 0.050(2) 0.0226(15) 0.003(2) 0.0038(12) -0.002(2) F1 0.042(5) 0.045(5) 0.050(5) -0.003(4) 0.013(4) 0.007(4) F2 0.072(6) 0.077(7) 0.047(5) -0.025(5) 0.028(5) -0.021(6) F3 0.060(5) 0.095(7) 0.025(4) -0.007(5) 0.009(4) -0.034(6) F4 0.075(7) 0.089(7) 0.029(5) 0.013(5) -0.004(4) -0.005(6) F5 0.043(5) 0.057(5) 0.039(5) -0.002(4) 0.002(4) 0.019(5) F6 0.034(4) 0.047(5) 0.065(5) 0.015(4) 0.024(4) 0.001(4) F7 0.033(5) 0.072(6) 0.078(7) 0.006(5) 0.026(5) 0.012(5) F8 0.028(4) 0.104(8) 0.070(6) 0.001(6) 0.030(4) -0.009(5) F9 0.049(5) 0.063(6) 0.056(5) 0.006(4) 0.025(4) -0.025(5) F10 0.045(5) 0.043(5) 0.056(5) -0.001(4) 0.020(4) 0.000(5) C1 0.012(5) 0.031(7) 0.022(6) 0.000(7) 0.001(4) -0.007(7) C2 0.026(7) 0.043(8) 0.031(7) -0.013(7) 0.013(6) -0.012(7) C3 0.028(7) 0.049(9) 0.037(8) -0.016(7) 0.010(6) -0.018(8) C4 0.041(8) 0.082(11) 0.018(6) -0.012(9) 0.009(6) -0.027(10) C5 0.024(7) 0.062(11) 0.035(8) 0.021(8) -0.008(6) -0.005(8) C6 0.027(7) 0.043(9) 0.035(8) -0.008(7) 0.000(6) -0.005(7) C7 0.020(6) 0.046(9) 0.018(6) -0.004(6) 0.007(5) 0.000(7) C8 0.028(7) 0.049(9) 0.031(7) 0.003(7) 0.007(6) -0.011(8) C9 0.018(7) 0.061(10) 0.039(8) 0.007(8) 0.003(6) 0.012(8) C10 0.021(7) 0.099(14) 0.034(8) 0.011(9) 0.015(6) -0.014(9) C11 0.040(9) 0.067(11) 0.026(7) -0.005(8) 0.011(7) -0.011(9) C12 0.023(7) 0.042(9) 0.037(8) -0.002(7) 0.012(6) -0.009(7) C13 0.013(6) 0.044(8) 0.023(6) -0.002(6) 0.000(5) 0.002(6) C14 0.035(8) 0.039(9) 0.037(8) -0.001(7) 0.009(7) -0.005(8) C15 0.045(9) 0.056(10) 0.034(8) -0.024(8) 0.028(7) -0.020(9) C16 0.057(12) 0.138(20) 0.065(12) 0.039(13) 0.001(10) -0.034(14) C17 0.095(17) 0.168(25) 0.073(14) 0.058(16) 0.013(13) -0.058(19) C18 0.059(13) 0.154(24) 0.056(13) -0.028(14) 0.034(11) -0.034(16) C19 0.037(10) 0.096(17) 0.115(18) -0.061(14) 0.044(12) -0.011(11) C20 0.032(9) 0.046(10) 0.101(14) -0.026(10) 0.032(9) -0.003(8) C21 0.029(7) 0.055(10) 0.028(7) 0.005(7) 0.011(6) -0.015(7) C22 0.017(6) 0.051(9) 0.033(7) 0.009(7) 0.019(6) 0.010(7) C23 0.049(10) 0.060(11) 0.050(9) 0.005(9) 0.029(8) 0.013(9) C24 0.082(13) 0.046(10) 0.062(11) -0.001(9) 0.031(10) 0.021(10) C25 0.052(11) 0.073(13) 0.089(15) 0.037(12) 0.047(11) 0.023(11) C26 0.027(8) 0.077(13) 0.057(11) 0.048(10) 0.016(8) 0.012(9) C27 0.021(7) 0.084(13) 0.045(9) 0.008(9) 0.006(7) -0.006(8) C28 0.024(7) 0.043(9) 0.033(7) -0.001(6) 0.011(6) 0.019(7) C29 0.019(6) 0.090(12) 0.030(7) 0.012(9) 0.009(5) -0.002(9) C30 0.025(8) 0.105(15) 0.042(9) 0.011(10) 0.012(7) -0.006(10) C31 0.037(9) 0.118(19) 0.042(9) -0.019(11) 0.002(7) 0.024(12) C32 0.046(10) 0.096(15) 0.035(8) -0.011(9) 0.002(7) 0.017(10) C33 0.030(7) 0.061(11) 0.042(8) 0.016(8) 0.006(6) 0.014(8) P2 0.033(2) 0.031(2) 0.030(2) -0.002(2) 0.008(2) -0.001(2) C34 0.051(10) 0.029(8) 0.047(9) 0.000(7) 0.004(8) 0.005(7) C35 0.040(8) 0.035(8) 0.025(7) 0.001(6) 0.008(6) 0.003(7) C36 0.043(9) 0.081(13) 0.064(11) 0.026(10) 0.018(8) 0.010(10) C37 0.038(10) 0.154(21) 0.095(14) 0.088(15) 0.031(10) 0.053(12) C38 0.051(10) 0.083(13) 0.064(11) 0.045(10) 0.031(9) 0.010(10) C39 0.037(8) 0.071(11) 0.058(10) 0.014(9) 0.023(8) 0.017(9) C40 0.040(9) 0.072(11) 0.045(9) 0.014(9) 0.022(8) 0.016(9) C41 0.039(8) 0.038(8) 0.024(7) 0.003(6) 0.012(6) 0.004(7) C42 0.025(7) 0.054(10) 0.048(9) 0.001(8) 0.005(7) -0.005(8) C43 0.041(9) 0.074(12) 0.038(9) 0.014(9) 0.006(7) 0.009(9) C44 0.030(8) 0.076(12) 0.024(7) -0.001(8) -0.003(6) 0.020(9) C45 0.042(9) 0.057(10) 0.040(9) -0.008(8) 0.000(7) 0.010(9) C46 0.048(9) 0.054(10) 0.035(8) 0.006(8) 0.010(7) -0.007(9) C47 0.021(6) 0.029(7) 0.029(7) 0.001(6) 0.005(5) -0.001(6) C48 0.034(8) 0.037(9) 0.038(8) -0.001(7) 0.001(7) -0.002(7) C49 0.038(9) 0.048(9) 0.053(9) -0.014(8) 0.000(7) 0.013(9) C50 0.021(8) 0.093(14) 0.044(9) 0.001(9) 0.005(7) -0.004(9) C51 0.043(10) 0.065(12) 0.049(10) 0.010(9) 0.002(8) -0.022(10) C52 0.035(8) 0.044(9) 0.034(8) 0.007(7) 0.003(6) -0.011(8) C53 0.244(27) 0.183(21) 0.139(17) 0.010(13) 0.098(16) 0.159(19) C54 0.244(27) 0.183(21) 0.139(17) 0.010(13) 0.098(16) 0.159(19) C55 0.244(27) 0.183(21) 0.139(17) 0.010(13) 0.098(16) 0.159(19) _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 Pt C13 1.987(12) . ? Pt C7 2.050(12) . ? Pt C1 2.055(10) . ? Pt P1 2.262(3) . ? P1 C21 1.772(12) . ? P1 C22 1.827(14) . ? P1 C28 1.829(12) . ? F1 C2 1.363(15) . ? F2 C3 1.35(2) . ? F3 C4 1.361(13) . ? F4 C5 1.35(2) . ? F5 C6 1.351(15) . ? F6 C8 1.359(15) . ? F7 C9 1.34(2) . ? F8 C10 1.356(15) . ? F9 C11 1.36(2) . ? F10 C12 1.323(15) . ? C1 C2 1.36(2) . ? C1 C6 1.39(2) . ? C2 C3 1.39(2) . ? C3 C4 1.33(2) . ? C4 C5 1.37(2) . ? C5 C6 1.37(2) . ? C7 C12 1.39(2) . ? C7 C8 1.40(2) . ? C8 C9 1.37(2) . ? C9 C10 1.41(2) . ? C10 C11 1.33(2) . ? C11 C12 1.38(2) . ? C13 C14 1.23(2) . ? C14 C15 1.43(2) . ? C15 C16 1.35(2) . ? C15 C20 1.38(2) . ? C16 C17 1.42(2) . ? C17 C18 1.32(3) . ? C18 C19 1.31(3) . ? C19 C20 1.40(2) . ? C21 C21 1.20(2) 3_664 ? C22 C23 1.35(2) . ? C22 C27 1.39(2) . ? C23 C24 1.40(2) . ? C24 C25 1.37(2) . ? C25 C26 1.35(2) . ? C26 C27 1.34(2) . ? C28 C33 1.38(2) . ? C28 C29 1.38(2) . ? C29 C30 1.39(2) . ? C30 C31 1.40(2) . ? C31 C32 1.34(2) . ? C32 C33 1.37(2) . ? P2 C47 1.768(12) . ? P2 C35 1.768(13) . ? P2 C41 1.794(13) . ? P2 C34 1.796(13) . ? C35 C36 1.38(2) . ? C35 C40 1.39(2) . ? C36 C37 1.37(2) . ? C37 C38 1.39(2) . ? C38 C39 1.34(2) . ? C39 C40 1.34(2) . ? C41 C46 1.37(2) . ? C41 C42 1.40(2) . ? C42 C43 1.39(2) . ? C43 C44 1.36(2) . ? C44 C45 1.37(2) . ? C45 C46 1.38(2) . ? C47 C48 1.35(2) . ? C47 C52 1.38(2) . ? C48 C49 1.36(2) . ? C49 C50 1.37(2) . ? C50 C51 1.36(2) . ? C51 C52 1.42(2) . ? C53 C54 1.539(5) . ? C54 C55 1.539(5) . ? C55 C55 1.538(5) 3_774 ? 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 C13 Pt C7 171.2(5) . . ? C13 Pt C1 88.9(4) . . ? C7 Pt C1 88.0(4) . . ? C13 Pt P1 89.8(3) . . ? C7 Pt P1 93.3(3) . . ? C1 Pt P1 178.6(3) . . ? C21 P1 C22 102.7(6) . . ? C21 P1 C28 101.3(6) . . ? C22 P1 C28 103.7(6) . . ? C21 P1 Pt 116.7(4) . . ? C22 P1 Pt 113.4(5) . . ? C28 P1 Pt 117.1(4) . . ? C2 C1 C6 113.4(11) . . ? C2 C1 Pt 124.8(9) . . ? C6 C1 Pt 121.8(9) . . ? F1 C2 C1 120.2(11) . . ? F1 C2 C3 114.9(12) . . ? C1 C2 C3 124.9(13) . . ? C4 C3 F2 120.2(13) . . ? C4 C3 C2 118.3(13) . . ? F2 C3 C2 121.5(14) . . ? C3 C4 F3 121.2(15) . . ? C3 C4 C5 121.3(12) . . ? F3 C4 C5 117.5(15) . . ? F4 C5 C4 121.9(13) . . ? F4 C5 C6 119.7(14) . . ? C4 C5 C6 118.4(13) . . ? F5 C6 C5 116.7(13) . . ? F5 C6 C1 119.6(11) . . ? C5 C6 C1 123.7(13) . . ? C12 C7 C8 112.6(11) . . ? C12 C7 Pt 126.2(10) . . ? C8 C7 Pt 120.8(9) . . ? F6 C8 C9 114.8(13) . . ? F6 C8 C7 118.5(11) . . ? C9 C8 C7 126.6(13) . . ? F7 C9 C8 122.4(14) . . ? F7 C9 C10 121.7(12) . . ? C8 C9 C10 115.8(14) . . ? C11 C10 F8 121.5(15) . . ? C11 C10 C9 120.8(13) . . ? F8 C10 C9 117.7(15) . . ? C10 C11 F9 119.7(13) . . ? C10 C11 C12 120.5(15) . . ? F9 C11 C12 119.8(15) . . ? F10 C12 C11 116.3(13) . . ? F10 C12 C7 120.2(11) . . ? C11 C12 C7 123.5(14) . . ? C14 C13 Pt 172.8(13) . . ? C13 C14 C15 173.1(15) . . ? C16 C15 C20 116.8(16) . . ? C16 C15 C14 121.9(16) . . ? C20 C15 C14 121.2(15) . . ? C15 C16 C17 122.0(19) . . ? C18 C17 C16 117.7(21) . . ? C19 C18 C17 122.8(22) . . ? C18 C19 C20 120.1(21) . . ? C15 C20 C19 120.4(19) . . ? C21 C21 P1 176.5(17) 3_664 . ? C23 C22 C27 118.9(14) . . ? C23 C22 P1 119.4(10) . . ? C27 C22 P1 121.7(12) . . ? C22 C23 C24 121.5(15) . . ? C25 C24 C23 117.8(17) . . ? C26 C25 C24 120.2(17) . . ? C27 C26 C25 122.1(16) . . ? C26 C27 C22 119.4(16) . . ? C33 C28 C29 117.8(13) . . ? C33 C28 P1 121.9(11) . . ? C29 C28 P1 120.2(11) . . ? C28 C29 C30 121.3(17) . . ? C29 C30 C31 117.3(16) . . ? C32 C31 C30 122.5(17) . . ? C31 C32 C33 118.8(18) . . ? C32 C33 C28 122.3(16) . . ? C47 P2 C35 110.7(6) . . ? C47 P2 C41 108.0(6) . . ? C35 P2 C41 108.9(6) . . ? C47 P2 C34 111.9(7) . . ? C35 P2 C34 107.9(7) . . ? C41 P2 C34 109.4(7) . . ? C36 C35 C40 117.0(14) . . ? C36 C35 P2 122.5(11) . . ? C40 C35 P2 120.4(11) . . ? C37 C36 C35 121.1(15) . . ? C36 C37 C38 119.6(16) . . ? C39 C38 C37 118.9(15) . . ? C38 C39 C40 122.1(15) . . ? C39 C40 C35 121.0(14) . . ? C46 C41 C42 119.1(12) . . ? C46 C41 P2 122.9(10) . . ? C42 C41 P2 117.9(11) . . ? C43 C42 C41 120.0(14) . . ? C44 C43 C42 119.0(15) . . ? C43 C44 C45 121.5(14) . . ? C44 C45 C46 119.6(15) . . ? C41 C46 C45 120.7(14) . . ? C48 C47 C52 119.3(13) . . ? C48 C47 P2 121.9(10) . . ? C52 C47 P2 118.8(10) . . ? C47 C48 C49 124.2(14) . . ? C48 C49 C50 115.1(15) . . ? C51 C50 C49 125.7(15) . . ? C50 C51 C52 116.3(15) . . ? C47 C52 C51 119.4(14) . . ? C55 C54 C53 108.8(7) . . ? C55 C55 C54 109.3(7) 3_774 . ? _refine_diff_density_max 0.921 _refine_diff_density_min -0.748 _refine_diff_density_rms 0.165 . data_5 _database_code_CSD 164451 _audit_creation_method SHELXL _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_sum 'C76 H40 F20 P4 Pt2' _chemical_formula_weight 1847.14 _chemical_melting_point ? _chemical_compound_source ? 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' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1)/n loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 17.323(3) _cell_length_b 20.918(4) _cell_length_c 19.549(4) _cell_angle_alpha 90.00 _cell_angle_beta 101.74(3) _cell_angle_gamma 90.00 _cell_volume 6935.6(23) _cell_formula_units_Z 4 _cell_measurement_temperature 200(2) _cell_measurement_reflns_used 25 _cell_measurement_theta_min 5 _cell_measurement_theta_max 12.5 _exptl_crystal_description ? _exptl_crystal_colour Colourless _exptl_crystal_size_max 0.40 _exptl_crystal_size_mid 0.30 _exptl_crystal_size_min 0.20 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.769 _exptl_crystal_density_method ? _exptl_crystal_F_000 3568 _exptl_absorpt_coefficient_mu 4.220 _exptl_absorpt_correction_type psi-scan _exptl_absorpt_correction_T_min 0.638 _exptl_absorpt_correction_T_max 1.000 _exptl_special_details ; ? ; _diffrn_ambient_temperature 200(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device ? _diffrn_measurement_method ? _diffrn_standards_number ? _diffrn_standards_interval_count 97 _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 12822 _diffrn_reflns_av_R_equivalents 0.0691 _diffrn_reflns_av_sigmaI/netI 0.0889 _diffrn_reflns_limit_h_min -1 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -1 _diffrn_reflns_limit_k_max 23 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 2.01 _diffrn_reflns_theta_max 24.00 _reflns_number_total 10871 _reflns_number_observed 7132 _reflns_observed_criterion >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-86 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-93 (Sheldrick, 1993)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement on F^2^ for ALL reflections except for 1313 with very negative F^2^ or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses 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 observed criterion of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.0715P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary Patterson (SHELXS) _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment ? _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 9558 _refine_ls_number_parameters 919 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1059 _refine_ls_R_factor_obs 0.0537 _refine_ls_wR_factor_all 0.1629 _refine_ls_wR_factor_obs 0.1175 _refine_ls_goodness_of_fit_all 1.027 _refine_ls_goodness_of_fit_obs 1.096 _refine_ls_restrained_S_all 1.207 _refine_ls_restrained_S_obs 1.096 _refine_ls_shift/esd_max -0.001 _refine_ls_shift/esd_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_thermal_displace_type _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_group Pt1 Pt 0.81080(2) 0.33206(2) 0.69318(2) 0.03386(14) Uani 1 d . . Pt2 Pt 0.47981(2) 0.31023(2) 0.83200(2) 0.03223(14) Uani 1 d . . P1 P 0.7903(2) 0.23706(15) 0.7449(2) 0.0370(7) Uani 1 d . . P2 P 0.6801(2) 0.34602(15) 0.64072(15) 0.0356(7) Uani 1 d . . P3 P 0.5719(2) 0.38911(14) 0.83608(15) 0.0331(7) Uani 1 d . . P4 P 0.5695(2) 0.22768(14) 0.85397(15) 0.0332(7) Uani 1 d . . C1 C 0.8401(6) 0.4119(5) 0.6425(6) 0.038(3) Uani 1 d . . C2 C 0.8144(6) 0.4722(6) 0.6521(6) 0.041(3) Uani 1 d . . C3 C 0.8220(8) 0.5233(6) 0.6089(7) 0.053(3) Uani 1 d . . C4 C 0.8609(9) 0.5156(6) 0.5567(7) 0.060(4) Uani 1 d . . C5 C 0.8868(9) 0.4572(8) 0.5430(7) 0.072(4) Uani 1 d . . C6 C 0.8768(7) 0.4065(5) 0.5861(6) 0.045(3) Uani 1 d . . C7 C 0.9285(6) 0.3332(6) 0.7473(6) 0.045(3) Uani 1 d . . C8 C 0.9866(8) 0.2959(7) 0.7340(7) 0.059(4) Uani 1 d . . C9 C 1.0633(8) 0.2976(8) 0.7688(8) 0.067(4) Uani 1 d . . C10 C 1.0834(8) 0.3416(9) 0.8192(9) 0.071(5) Uani 1 d . . C11 C 1.0268(9) 0.3811(7) 0.8367(8) 0.072(5) Uani 1 d . . C12 C 0.9522(7) 0.3760(6) 0.7998(7) 0.050(3) Uani 1 d . . C13 C 0.7796(6) 0.1698(6) 0.6864(6) 0.043(3) Uani 1 d . . C14 C 0.8105(7) 0.1753(7) 0.6239(7) 0.054(4) Uani 1 d . . C15 C 0.8024(8) 0.1240(7) 0.5781(7) 0.062(4) Uani 1 d . . C16 C 0.7619(9) 0.0677(7) 0.5896(9) 0.072(4) Uani 1 d . . C17 C 0.7307(9) 0.0625(6) 0.6519(8) 0.070(4) Uani 1 d . . C18 C 0.7397(8) 0.1145(7) 0.6973(7) 0.057(4) Uani 1 d . . C19 C 0.8656(6) 0.2122(6) 0.8195(6) 0.042(3) Uani 1 d . . C20 C 0.9221(8) 0.1686(8) 0.8121(7) 0.073(5) Uani 1 d . . C21 C 0.9796(11) 0.1498(10) 0.8703(9) 0.096(6) Uani 1 d . . C22 C 0.9784(10) 0.1767(9) 0.9324(10) 0.087(6) Uani 1 d . . C23 C 0.9214(11) 0.2222(8) 0.9425(8) 0.083(5) Uani 1 d . . C24 C 0.8644(8) 0.2400(7) 0.8851(7) 0.060(4) Uani 1 d . . C25 C 0.7056(6) 0.2351(5) 0.7840(6) 0.036(3) Uani 1 d . . C26 C 0.6518(7) 0.2344(5) 0.8137(6) 0.036(3) Uani 1 d . . C27 C 0.6221(7) 0.2755(6) 0.6045(6) 0.044(3) Uani 1 d . . C28 C 0.6499(7) 0.2417(6) 0.5528(6) 0.047(3) Uani 1 d . . C29 C 0.6100(9) 0.1871(7) 0.5230(7) 0.059(4) Uani 1 d . . C30 C 0.5443(9) 0.1669(7) 0.5490(8) 0.069(4) Uani 1 d . . C31 C 0.5156(8) 0.2006(7) 0.5992(7) 0.059(4) Uani 1 d . . C32 C 0.5544(7) 0.2560(6) 0.6268(6) 0.050(3) Uani 1 d . . C33 C 0.6557(7) 0.4097(6) 0.5753(6) 0.047(3) Uani 1 d . . C34 C 0.6819(9) 0.4029(7) 0.5139(6) 0.064(4) Uani 1 d . . C35 C 0.6683(9) 0.4512(8) 0.4638(7) 0.071(4) Uani 1 d . . C36 C 0.6269(11) 0.5057(10) 0.4741(10) 0.100(6) Uani 1 d . . C37 C 0.6032(12) 0.5136(10) 0.5378(12) 0.120(8) Uani 1 d . . C38 C 0.6144(9) 0.4634(7) 0.5885(9) 0.076(5) Uani 1 d . . C39 C 0.6345(6) 0.3706(6) 0.7089(6) 0.038(3) Uani 1 d . . C40 C 0.6107(6) 0.3836(5) 0.7592(6) 0.037(3) Uani 1 d . . C41 C 0.5360(6) 0.4711(5) 0.8331(7) 0.043(3) Uani 1 d . . C42 C 0.5401(7) 0.5039(7) 0.8954(8) 0.065(4) Uani 1 d . . C43 C 0.5014(9) 0.5655(7) 0.8905(10) 0.077(5) Uani 1 d . . C44 C 0.4607(8) 0.5898(7) 0.8286(11) 0.081(5) Uani 1 d . . C45 C 0.4582(9) 0.5549(8) 0.7688(9) 0.075(5) Uani 1 d . . C46 C 0.4940(7) 0.4952(6) 0.7692(7) 0.052(3) Uani 1 d . . C47 C 0.6601(6) 0.3865(5) 0.9059(6) 0.038(3) Uani 1 d . . C48 C 0.7351(6) 0.3940(6) 0.8939(7) 0.050(3) Uani 1 d . . C49 C 0.7986(8) 0.3935(7) 0.9520(8) 0.069(4) Uani 1 d . . C50 C 0.7859(9) 0.3861(7) 1.0182(8) 0.066(4) Uani 1 d . . C51 C 0.7104(9) 0.3758(7) 1.0314(7) 0.069(4) Uani 1 d . . C52 C 0.6452(8) 0.3765(6) 0.9732(6) 0.051(3) Uani 1 d . . C53 C 0.5333(6) 0.1484(5) 0.8248(6) 0.036(3) Uani 1 d . . C54 C 0.4918(8) 0.1131(6) 0.8646(7) 0.054(3) Uani 1 d . . C55 C 0.4592(8) 0.0522(7) 0.8405(7) 0.062(4) Uani 1 d . . C56 C 0.4728(8) 0.0290(7) 0.7767(8) 0.065(4) Uani 1 d . . C57 C 0.5171(9) 0.0644(8) 0.7388(7) 0.069(4) Uani 1 d . . C58 C 0.5466(7) 0.1246(6) 0.7622(6) 0.049(3) Uani 1 d . . C59 C 0.6139(7) 0.2206(5) 0.9463(5) 0.037(3) Uani 1 d . . C60 C 0.5641(8) 0.2310(7) 0.9935(6) 0.058(4) Uani 1 d . . C61 C 0.5952(9) 0.2233(8) 1.0661(7) 0.075(5) Uani 1 d . . C62 C 0.6759(10) 0.2111(9) 1.0888(8) 0.084(5) Uani 1 d . . C63 C 0.7238(9) 0.2003(7) 1.0415(7) 0.069(4) Uani 1 d . . C64 C 0.6947(7) 0.2056(6) 0.9703(7) 0.055(4) Uani 1 d . . C65 C 0.3888(6) 0.2456(6) 0.8229(6) 0.037(3) Uani 1 d . . C66 C 0.3611(7) 0.2130(6) 0.7621(7) 0.051(3) Uani 1 d . . C67 C 0.2975(9) 0.1730(8) 0.7527(8) 0.073(5) Uani 1 d . . C68 C 0.2606(9) 0.1638(9) 0.8054(12) 0.096(6) Uani 1 d . . C69 C 0.2813(9) 0.1986(8) 0.8669(9) 0.079(5) Uani 1 d . . C70 C 0.3459(8) 0.2367(6) 0.8724(7) 0.053(3) Uani 1 d . . C71 C 0.3907(6) 0.3775(5) 0.8167(7) 0.044(3) Uani 1 d . . C72 C 0.3705(8) 0.4095(7) 0.8703(9) 0.066(4) Uani 1 d . . C73 C 0.3115(11) 0.4519(9) 0.8663(14) 0.104(7) Uani 1 d . . C74 C 0.2683(11) 0.4649(9) 0.8014(21) 0.152(15) Uani 1 d . . C75 C 0.2831(13) 0.4320(10) 0.7434(16) 0.150(12) Uani 1 d . . C76 C 0.3457(9) 0.3894(7) 0.7532(10) 0.081(5) Uani 1 d . . F1 F 0.7745(4) 0.4826(3) 0.7041(4) 0.058(2) Uani 1 d . . F2 F 0.7937(5) 0.5809(3) 0.6208(4) 0.073(2) Uani 1 d . . F3 F 0.8687(6) 0.5633(4) 0.5129(4) 0.090(3) Uani 1 d . . F4 F 0.9255(7) 0.4460(5) 0.4912(5) 0.119(4) Uani 1 d . . F5 F 0.9039(5) 0.3481(4) 0.5713(4) 0.080(3) Uani 1 d . . F6 F 0.9698(4) 0.2509(4) 0.6824(4) 0.073(2) Uani 1 d . . F7 F 1.1179(5) 0.2593(6) 0.7523(5) 0.113(4) Uani 1 d . . F8 F 1.1591(5) 0.3459(6) 0.8570(5) 0.112(4) Uani 1 d . . F9 F 1.0458(5) 0.4246(5) 0.8889(5) 0.099(3) Uani 1 d . . F10 F 0.8970(5) 0.4173(4) 0.8184(4) 0.075(2) Uani 1 d . . F11 F 0.3980(5) 0.2196(4) 0.7068(4) 0.070(2) Uani 1 d . . F12 F 0.2755(6) 0.1400(5) 0.6928(5) 0.116(4) Uani 1 d . . F13 F 0.1952(6) 0.1257(6) 0.7989(7) 0.155(5) Uani 1 d . . F14 F 0.2407(6) 0.1921(6) 0.9162(6) 0.149(5) Uani 1 d . . F15 F 0.3653(5) 0.2681(4) 0.9347(4) 0.075(2) Uani 1 d . . F16 F 0.4139(6) 0.4015(4) 0.9361(5) 0.090(3) Uani 1 d . . F17 F 0.2931(8) 0.4819(6) 0.9198(9) 0.176(7) Uani 1 d . . F18 F 0.2053(7) 0.5045(6) 0.7901(12) 0.231(10) Uani 1 d . . F19 F 0.2418(9) 0.4438(7) 0.6764(9) 0.242(10) Uani 1 d . . F20 F 0.3604(7) 0.3614(5) 0.6955(5) 0.125(4) Uani 1 d . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Pt1 0.0300(2) 0.0396(3) 0.0344(3) 0.0032(2) 0.0121(2) 0.0012(2) Pt2 0.0269(2) 0.0410(3) 0.0299(2) -0.0023(2) 0.0084(2) -0.0001(2) P1 0.032(2) 0.043(2) 0.038(2) 0.0062(14) 0.0109(14) 0.0040(14) P2 0.033(2) 0.047(2) 0.028(2) 0.0001(13) 0.0099(13) 0.0024(14) P3 0.030(2) 0.037(2) 0.034(2) -0.0007(13) 0.0107(13) 0.0012(13) P4 0.032(2) 0.037(2) 0.033(2) 0.0005(13) 0.0108(13) -0.0003(13) C1 0.031(6) 0.041(7) 0.042(7) 0.011(6) 0.010(5) -0.005(5) C2 0.040(7) 0.061(9) 0.026(6) 0.001(6) 0.015(5) -0.002(6) C3 0.067(9) 0.036(8) 0.054(8) 0.003(6) 0.007(7) -0.001(7) C4 0.091(11) 0.041(8) 0.062(9) 0.010(7) 0.045(9) -0.012(8) C5 0.084(11) 0.089(12) 0.059(9) 0.010(9) 0.051(8) -0.006(9) C6 0.065(8) 0.028(7) 0.051(8) -0.001(6) 0.033(7) 0.007(6) C7 0.017(6) 0.071(9) 0.047(7) 0.013(7) 0.008(5) -0.005(6) C8 0.040(8) 0.082(11) 0.056(9) 0.009(8) 0.011(7) 0.006(7) C9 0.049(9) 0.104(13) 0.052(9) 0.007(9) 0.018(7) 0.017(9) C10 0.028(8) 0.099(13) 0.083(12) 0.028(10) -0.001(8) -0.001(8) C11 0.060(10) 0.066(10) 0.079(11) 0.013(9) -0.014(9) -0.031(9) C12 0.036(7) 0.059(9) 0.054(8) 0.001(7) 0.008(7) -0.007(7) C13 0.031(6) 0.051(8) 0.051(7) 0.000(6) 0.020(6) 0.010(6) C14 0.046(8) 0.077(10) 0.044(7) 0.006(7) 0.022(6) 0.018(7) C15 0.068(10) 0.059(10) 0.067(10) 0.001(8) 0.034(8) 0.019(8) C16 0.083(11) 0.043(9) 0.088(12) -0.011(8) 0.015(9) 0.012(8) C17 0.095(12) 0.040(8) 0.085(11) 0.002(8) 0.046(10) -0.008(8) C18 0.053(8) 0.064(9) 0.057(9) 0.002(7) 0.017(7) -0.009(7) C19 0.028(6) 0.048(7) 0.047(8) 0.018(6) 0.001(6) 0.000(6) C20 0.056(9) 0.114(13) 0.050(8) 0.020(9) 0.012(7) 0.042(9) C21 0.098(14) 0.130(17) 0.058(11) 0.022(11) 0.009(10) 0.037(12) C22 0.064(11) 0.097(14) 0.082(13) 0.019(11) -0.026(10) -0.003(10) C23 0.096(13) 0.075(11) 0.067(11) -0.014(9) -0.012(10) -0.007(10) C24 0.055(9) 0.072(10) 0.044(8) 0.008(7) -0.011(7) -0.018(7) C25 0.034(7) 0.042(7) 0.030(6) 0.008(5) 0.004(5) 0.002(5) C26 0.037(7) 0.039(7) 0.032(6) 0.002(5) 0.006(5) 0.000(6) C27 0.051(8) 0.044(8) 0.036(7) -0.001(6) 0.005(6) -0.005(6) C28 0.045(7) 0.054(8) 0.038(7) 0.000(6) 0.000(6) 0.001(6) C29 0.071(10) 0.061(9) 0.044(8) 0.003(7) 0.007(7) -0.010(8) C30 0.075(11) 0.052(9) 0.062(10) 0.004(8) -0.026(8) -0.011(8) C31 0.069(10) 0.059(9) 0.047(8) -0.004(7) 0.006(7) -0.010(8) C32 0.048(8) 0.060(9) 0.038(7) 0.002(6) 0.003(6) -0.006(7) C33 0.045(8) 0.052(8) 0.041(7) 0.010(6) 0.006(6) -0.004(6) C34 0.095(11) 0.075(10) 0.021(7) 0.005(7) 0.010(7) -0.017(9) C35 0.089(12) 0.077(11) 0.042(8) 0.016(8) 0.004(8) -0.013(9) C36 0.098(14) 0.115(16) 0.087(14) 0.043(12) 0.020(11) 0.018(12) C37 0.107(16) 0.118(17) 0.144(20) 0.059(15) 0.046(14) 0.046(13) C38 0.068(10) 0.070(11) 0.098(12) 0.032(9) 0.035(9) 0.040(9) C39 0.029(6) 0.044(7) 0.038(7) -0.004(6) 0.000(5) -0.002(5) C40 0.032(6) 0.043(7) 0.032(7) 0.009(6) 0.000(5) -0.007(5) C41 0.026(6) 0.033(7) 0.069(9) 0.000(6) 0.011(6) 0.001(5) C42 0.039(8) 0.068(10) 0.085(11) -0.029(8) 0.008(7) 0.007(7) C43 0.052(9) 0.060(10) 0.117(14) -0.028(10) 0.011(9) 0.003(8) C44 0.050(10) 0.045(9) 0.144(17) 0.001(11) 0.013(11) 0.001(7) C45 0.065(10) 0.059(10) 0.103(13) 0.019(10) 0.025(9) 0.012(8) C46 0.054(8) 0.044(8) 0.054(8) 0.016(6) 0.006(7) 0.008(6) C47 0.037(7) 0.035(7) 0.040(7) -0.001(5) -0.001(6) -0.003(5) C48 0.028(7) 0.041(8) 0.075(9) -0.014(7) -0.002(6) 0.001(6) C49 0.040(8) 0.082(11) 0.077(11) -0.013(9) -0.009(8) 0.005(7) C50 0.065(10) 0.065(10) 0.053(9) -0.008(8) -0.025(8) 0.002(8) C51 0.073(11) 0.074(11) 0.051(9) -0.020(8) -0.010(8) 0.005(9) C52 0.068(9) 0.045(8) 0.034(7) -0.001(6) -0.002(6) 0.005(7) C53 0.036(7) 0.029(6) 0.040(7) -0.001(5) 0.005(5) -0.002(5) C54 0.054(8) 0.046(8) 0.065(9) 0.002(7) 0.014(7) -0.002(7) C55 0.058(9) 0.075(10) 0.050(9) 0.009(8) 0.006(7) -0.018(8) C56 0.062(9) 0.075(11) 0.060(10) -0.003(8) 0.017(8) -0.002(8) C57 0.065(10) 0.082(11) 0.058(9) -0.016(8) 0.003(8) -0.003(8) C58 0.045(7) 0.049(8) 0.047(8) -0.018(6) -0.001(6) 0.002(6) C59 0.047(7) 0.042(7) 0.024(6) -0.002(5) 0.007(5) -0.006(6) C60 0.066(9) 0.078(10) 0.038(7) 0.008(7) 0.031(7) -0.004(8) C61 0.076(11) 0.106(13) 0.043(9) 0.013(8) 0.013(8) 0.015(10) C62 0.092(13) 0.114(14) 0.045(9) 0.002(9) 0.013(9) 0.012(11) C63 0.072(10) 0.082(11) 0.045(8) 0.016(8) -0.003(8) 0.004(8) C64 0.052(8) 0.045(8) 0.062(9) -0.011(7) -0.002(7) 0.020(6) C65 0.034(7) 0.047(7) 0.034(7) 0.001(6) 0.012(5) -0.001(6) C66 0.041(8) 0.051(8) 0.054(8) 0.006(7) -0.009(7) -0.002(6) C67 0.061(10) 0.081(11) 0.060(10) -0.006(9) -0.027(8) -0.020(9) C68 0.055(10) 0.096(14) 0.132(18) 0.012(13) 0.010(11) -0.048(10) C69 0.057(10) 0.098(13) 0.089(12) 0.021(11) 0.031(9) -0.024(9) C70 0.050(8) 0.049(8) 0.064(9) -0.003(7) 0.020(7) 0.000(7) C71 0.030(7) 0.026(6) 0.071(9) -0.001(6) -0.002(6) 0.004(5) C72 0.053(9) 0.055(9) 0.097(13) -0.016(9) 0.033(9) -0.009(8) C73 0.058(12) 0.063(12) 0.207(25) -0.025(14) 0.065(14) 0.007(10) C74 0.047(12) 0.036(11) 0.356(47) -0.015(18) -0.005(18) 0.025(9) C75 0.088(16) 0.064(14) 0.253(33) 0.013(17) -0.075(19) 0.007(12) C76 0.068(11) 0.049(10) 0.101(14) -0.009(9) -0.039(10) 0.008(8) F1 0.076(5) 0.055(5) 0.049(4) -0.011(4) 0.030(4) 0.011(4) F2 0.100(6) 0.041(5) 0.080(6) 0.000(4) 0.020(5) 0.006(4) F3 0.131(8) 0.073(6) 0.074(6) 0.027(5) 0.044(6) -0.001(5) F4 0.180(10) 0.109(8) 0.107(8) 0.029(6) 0.118(8) 0.022(7) F5 0.102(7) 0.064(6) 0.092(6) 0.015(5) 0.061(5) 0.028(5) F6 0.053(5) 0.093(6) 0.075(6) -0.004(5) 0.021(4) 0.024(4) F7 0.049(5) 0.181(11) 0.106(8) 0.013(7) 0.012(5) 0.043(6) F8 0.043(5) 0.190(11) 0.094(7) 0.020(7) -0.009(5) -0.013(6) F9 0.092(7) 0.099(7) 0.087(7) -0.001(6) -0.027(5) -0.024(6) F10 0.063(5) 0.085(6) 0.068(5) -0.021(5) -0.004(4) -0.007(5) F11 0.084(6) 0.076(6) 0.049(5) -0.011(4) 0.011(4) 0.000(5) F12 0.131(9) 0.096(7) 0.093(7) -0.012(6) -0.045(6) -0.048(7) F13 0.105(8) 0.163(11) 0.177(12) 0.033(9) -0.018(8) -0.103(8) F14 0.114(9) 0.218(14) 0.134(10) 0.046(9) 0.068(8) -0.071(9) F15 0.081(6) 0.093(6) 0.064(5) -0.002(5) 0.041(5) -0.012(5) F16 0.125(8) 0.078(6) 0.083(6) -0.024(5) 0.057(6) -0.004(6) F17 0.159(12) 0.100(9) 0.314(20) -0.070(11) 0.157(13) 0.011(8) F18 0.082(9) 0.100(9) 0.486(30) -0.031(13) -0.001(12) 0.048(7) F19 0.190(14) 0.146(12) 0.294(20) 0.022(12) -0.174(15) 0.061(11) F20 0.172(11) 0.103(8) 0.070(7) -0.005(6) -0.049(7) 0.031(8) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Pt1 C1 2.057(11) . y Pt1 C7 2.097(10) . y Pt1 P1 2.290(3) . y Pt1 P2 2.307(3) . y Pt2 C65 2.057(11) . y Pt2 C71 2.066(11) . y Pt2 P3 2.285(3) . y Pt2 P4 2.304(3) . y P1 C25 1.787(12) . y P1 C13 1.799(12) . y P1 C19 1.823(11) . y P2 C39 1.758(13) . y P2 C33 1.835(12) . y P2 C27 1.844(12) . y P3 C40 1.772(12) . y P3 C41 1.821(11) . y P3 C47 1.830(11) . y P4 C26 1.768(12) . y P4 C59 1.818(11) . y P4 C53 1.823(11) . y C1 C2 1.36(2) . ? C1 C6 1.39(2) . ? C2 F1 1.359(12) . ? C2 C3 1.39(2) . ? C3 F2 1.338(14) . ? C3 C4 1.34(2) . ? C4 F3 1.339(14) . ? C4 C5 1.35(2) . ? C5 F4 1.345(15) . ? C5 C6 1.38(2) . ? C6 F5 1.360(13) . ? C7 C8 1.34(2) . ? C7 C12 1.36(2) . ? C8 F6 1.37(2) . ? C8 C9 1.37(2) . ? C9 F7 1.33(2) . ? C9 C10 1.34(2) . ? C10 F8 1.370(14) . ? C10 C11 1.38(2) . ? C11 C12 1.35(2) . ? C11 F9 1.36(2) . ? C12 F10 1.391(14) . ? C13 C18 1.39(2) . ? C13 C14 1.44(2) . ? C14 C15 1.39(2) . ? C15 C16 1.41(2) . ? C16 C17 1.43(2) . ? C17 C18 1.39(2) . ? C19 C20 1.37(2) . ? C19 C24 1.41(2) . ? C20 C21 1.41(2) . ? C21 C22 1.34(2) . ? C22 C23 1.41(2) . ? C23 C24 1.39(2) . ? C25 C26 1.195(15) . y C27 C32 1.39(2) . ? C27 C28 1.40(2) . ? C28 C29 1.40(2) . ? C29 C30 1.40(2) . ? C30 C31 1.38(2) . ? C31 C32 1.39(2) . ? C33 C34 1.37(2) . ? C33 C38 1.38(2) . ? C34 C35 1.39(2) . ? C35 C36 1.38(2) . ? C36 C37 1.40(3) . ? C37 C38 1.43(2) . ? C39 C40 1.172(15) . y C41 C42 1.39(2) . ? C41 C46 1.41(2) . ? C42 C43 1.45(2) . ? C43 C44 1.37(2) . ? C44 C45 1.37(2) . ? C45 C46 1.39(2) . ? C47 C48 1.37(2) . ? C47 C52 1.41(2) . ? C48 C49 1.41(2) . ? C49 C50 1.37(2) . ? C50 C51 1.40(2) . ? C51 C52 1.43(2) . ? C53 C54 1.38(2) . ? C53 C58 1.38(2) . ? C54 C55 1.44(2) . ? C55 C56 1.40(2) . ? C56 C57 1.38(2) . ? C57 C58 1.40(2) . ? C59 C60 1.40(2) . ? C59 C64 1.42(2) . ? C60 C61 1.42(2) . ? C61 C62 1.40(2) . ? C62 C63 1.38(2) . ? C63 C64 1.38(2) . ? C65 C70 1.35(2) . ? C65 C66 1.37(2) . ? C66 C67 1.37(2) . ? C66 F11 1.371(15) . ? C67 C68 1.33(2) . ? C67 F12 1.35(2) . ? C68 F13 1.37(2) . ? C68 C69 1.39(2) . ? C69 F14 1.31(2) . ? C69 C70 1.36(2) . ? C70 F15 1.364(14) . ? C71 C76 1.35(2) . ? C71 C72 1.35(2) . ? C72 C73 1.34(2) . ? C72 F16 1.36(2) . ? C73 F17 1.31(2) . ? C73 C74 1.36(3) . ? C74 F18 1.35(2) . ? C74 C75 1.39(4) . ? C75 F19 1.38(3) . ? C75 C76 1.39(3) . ? C76 F20 1.34(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 C7 85.6(4) . . y C1 Pt1 P1 173.1(3) . . y C7 Pt1 P1 90.5(3) . . y C1 Pt1 P2 90.0(3) . . y C7 Pt1 P2 171.3(4) . . y P1 Pt1 P2 94.57(11) . . y C65 Pt2 C71 84.2(4) . . y C65 Pt2 P3 174.2(3) . . y C71 Pt2 P3 90.5(3) . . y C65 Pt2 P4 89.9(3) . . y C71 Pt2 P4 173.5(3) . . y P3 Pt2 P4 95.48(10) . . y C25 P1 C13 105.5(5) . . y C25 P1 C19 99.7(5) . . y C13 P1 C19 104.4(6) . . y C25 P1 Pt1 115.1(4) . . y C13 P1 Pt1 113.7(4) . . y C19 P1 Pt1 116.8(4) . . y C39 P2 C33 103.9(6) . . y C39 P2 C27 103.4(5) . . y C33 P2 C27 106.4(5) . . y C39 P2 Pt1 104.6(4) . . y C33 P2 Pt1 117.9(4) . . y C27 P2 Pt1 118.6(4) . . y C40 P3 C41 102.7(6) . . y C40 P3 C47 103.1(5) . . y C41 P3 C47 106.3(5) . . y C40 P3 Pt2 107.8(4) . . y C41 P3 Pt2 116.6(4) . . y C47 P3 Pt2 118.4(4) . . y C26 P4 C59 103.3(5) . . y C26 P4 C53 100.9(5) . . y C59 P4 C53 106.6(5) . . y C26 P4 Pt2 115.6(4) . . y C59 P4 Pt2 112.3(4) . . y C53 P4 Pt2 116.6(4) . . y C2 C1 C6 113.6(10) . . ? C2 C1 Pt1 124.4(8) . . ? C6 C1 Pt1 121.1(9) . . ? F1 C2 C1 118.8(10) . . ? F1 C2 C3 117.2(11) . . ? C1 C2 C3 123.8(11) . . ? F2 C3 C4 120.0(12) . . ? F2 C3 C2 120.3(12) . . ? C4 C3 C2 119.6(12) . . ? F3 C4 C3 121.8(13) . . ? F3 C4 C5 117.9(12) . . ? C3 C4 C5 119.9(12) . . ? C4 C5 F4 122.9(13) . . ? C4 C5 C6 119.1(12) . . ? F4 C5 C6 117.9(14) . . ? F5 C6 C5 117.9(11) . . ? F5 C6 C1 118.3(10) . . ? C5 C6 C1 123.8(11) . . ? C8 C7 C12 113.9(11) . . ? C8 C7 Pt1 125.9(10) . . ? C12 C7 Pt1 120.1(9) . . ? C7 C8 F6 119.3(12) . . ? C7 C8 C9 125.6(14) . . ? F6 C8 C9 115.2(13) . . ? F7 C9 C10 120.1(14) . . ? F7 C9 C8 122.1(15) . . ? C10 C9 C8 117.7(14) . . ? C9 C10 F8 121.3(16) . . ? C9 C10 C11 120.1(13) . . ? F8 C10 C11 118.5(16) . . ? C12 C11 F9 121.0(16) . . ? C12 C11 C10 118.2(15) . . ? F9 C11 C10 120.8(14) . . ? C11 C12 C7 124.4(14) . . ? C11 C12 F10 116.5(13) . . ? C7 C12 F10 119.2(11) . . ? C18 C13 C14 118.7(12) . . ? C18 C13 P1 123.0(9) . . ? C14 C13 P1 118.2(10) . . ? C15 C14 C13 118.8(13) . . ? C14 C15 C16 122.1(13) . . ? C15 C16 C17 118.9(13) . . ? C18 C17 C16 118.1(12) . . ? C13 C18 C17 123.2(12) . . ? C20 C19 C24 121.0(11) . . ? C20 C19 P1 121.1(10) . . ? C24 C19 P1 117.9(9) . . ? C19 C20 C21 120.4(14) . . ? C22 C21 C20 118.4(16) . . ? C21 C22 C23 123.2(15) . . ? C24 C23 C22 118.2(15) . . ? C23 C24 C19 118.9(14) . . ? C26 C25 P1 176.2(10) . . y C25 C26 P4 175.4(11) . . y C32 C27 C28 121.0(11) . . ? C32 C27 P2 122.8(10) . . ? C28 C27 P2 116.3(9) . . ? C27 C28 C29 120.0(12) . . ? C28 C29 C30 117.7(13) . . ? C31 C30 C29 122.7(13) . . ? C30 C31 C32 119.0(13) . . ? C31 C32 C27 119.5(12) . . ? C34 C33 C38 121.5(13) . . ? C34 C33 P2 117.6(10) . . ? C38 C33 P2 120.8(10) . . ? C33 C34 C35 120.0(14) . . ? C36 C35 C34 120.9(15) . . ? C35 C36 C37 118.9(16) . . ? C36 C37 C38 120.5(18) . . ? C33 C38 C37 118.0(15) . . ? C40 C39 P2 172.7(11) . . y C39 C40 P3 170.3(11) . . y C42 C41 C46 121.8(12) . . ? C42 C41 P3 118.8(10) . . ? C46 C41 P3 118.6(9) . . ? C41 C42 C43 116.3(14) . . ? C44 C43 C42 122.6(15) . . ? C43 C44 C45 118.5(14) . . ? C44 C45 C46 122.3(15) . . ? C45 C46 C41 118.5(13) . . ? C48 C47 C52 122.3(11) . . ? C48 C47 P3 123.0(9) . . ? C52 C47 P3 114.7(9) . . ? C47 C48 C49 118.2(13) . . ? C50 C49 C48 120.8(13) . . ? C49 C50 C51 122.0(12) . . ? C50 C51 C52 117.8(14) . . ? C47 C52 C51 118.7(13) . . ? C54 C53 C58 120.5(11) . . ? C54 C53 P4 119.8(9) . . ? C58 C53 P4 119.7(9) . . ? C53 C54 C55 120.4(12) . . ? C56 C55 C54 118.3(13) . . ? C57 C56 C55 120.2(14) . . ? C56 C57 C58 120.7(14) . . ? C53 C58 C57 119.9(13) . . ? C60 C59 C64 120.9(11) . . ? C60 C59 P4 116.6(9) . . ? C64 C59 P4 122.5(9) . . ? C59 C60 C61 118.8(12) . . ? C62 C61 C60 119.2(13) . . ? C63 C62 C61 120.9(13) . . ? C62 C63 C64 121.0(14) . . ? C63 C64 C59 118.9(13) . . ? C70 C65 C66 114.0(12) . . ? C70 C65 Pt2 123.6(9) . . ? C66 C65 Pt2 122.0(9) . . ? C67 C66 C65 123.5(14) . . ? C67 C66 F11 116.6(13) . . ? C65 C66 F11 119.8(11) . . ? C68 C67 F12 120.3(16) . . ? C68 C67 C66 119.0(14) . . ? F12 C67 C66 120.5(16) . . ? C67 C68 F13 122.0(19) . . ? C67 C68 C69 120.9(14) . . ? F13 C68 C69 116.7(18) . . ? F14 C69 C70 123.9(17) . . ? F14 C69 C68 120.0(16) . . ? C70 C69 C68 116.1(15) . . ? C65 C70 C69 126.1(14) . . ? C65 C70 F15 120.2(11) . . ? C69 C70 F15 113.7(13) . . ? C76 C71 C72 115.6(14) . . ? C76 C71 Pt2 122.2(11) . . ? C72 C71 Pt2 122.0(10) . . ? C73 C72 C71 126.7(18) . . ? C73 C72 F16 113.8(17) . . ? C71 C72 F16 119.5(13) . . ? F17 C73 C72 125.0(24) . . ? F17 C73 C74 118.0(21) . . ? C72 C73 C74 116.9(21) . . ? F18 C74 C73 123.2(30) . . ? F18 C74 C75 116.4(30) . . ? C73 C74 C75 120.1(18) . . ? F19 C75 C76 118.9(28) . . ? F19 C75 C74 122.6(23) . . ? C76 C75 C74 118.3(22) . . ? F20 C76 C71 121.5(14) . . ? F20 C76 C75 116.3(19) . . ? C71 C76 C75 122.2(20) . . ? _refine_diff_density_max 1.581 _refine_diff_density_min -1.856 _refine_diff_density_rms 0.159