Supplementary Material (ESI) for Dalton Transactions This journal is © The Royal Society of Chemistry 2002 data_global _audit_creation_date 10-05-02 _journal_coden_Cambridge 186 loop_ _publ_author_name _publ_author_address 'Archambault, Christine' ; Laboratoire de Chimie de coordination, UMR CNRS 7513 Universite Louis Pasteur Strasbourg France ; 'Bender, Robert' ; Laboratoire de Chimie de coordination, UMR CNRS 7513 Universite Louis Pasteur Strasbourg France ; 'Braunstein, Pierre' ; Laboratoire de Chimie de coordination, UMR CNRS 7513 Universite Louis Pasteur Strasbourg France ; 'Dusausoy, Yves' ; Laboratoire CMMMB, UPRESA CNRS 7036 Universite Henri Poincare Nancy France ; _publ_contact_author_name ; Richard Welter ; _publ_contact_author_address ; Institut Le Bel, rue Blaise Pascal, 67000 STRASBOURG, FRANCE ; _publ_contact_author_phone '0390241308' _publ_contact_author_fax '0390241322' _publ_contact_author_email braunst@chimie.u-strasbg.fr _publ_requested_journal 'Dalton Trans' _publ_contact_letter ; ; _publ_requested_category FM _publ_section_title ; Reactivity of Phosphido-Bridged Diplatinium Complexes towards Electrophiles : Synthesis of new Hydrides and related Pt2Cu and Pt2Ag Clusters. Crystal structures of [Pt2{mu-Cu(PPh3)}(mu-PPh2)(mu-PPh2)(mu-o-C6H4PPh2)(PPh3)2]PF6 and [Pt2(mu-H)(mu-PPh2)(OPOF2)(PPh3)3](PF6).0.5CH2Cl2 ; _publ_section_abstract ; ? ; _publ_section_comment ; ? ; _publ_section_exptl_prep ; ? ; _publ_section_exptl_refinement ; ? ; _publ_section_references ; Burla, M.C., Camalli, M., Cascarano, G.,Giacovazzo, C., Polidori, G., Spagna, R. &Viterbo, D. (1989). SIR. J. Appl. Cryst. 22, 389-393. E.Dowty, ATOMSV6 (2002), Shape Software. KappaCCD Operation Manual (1997), Nonius B.V., Delft, The Nederlands. Otwinowski, Z. & Minor, W. (1997), Methods in Enzymology, 276, 307-326. Sheldrick, G.M. (1997). SHELXL97. Program for the refinement of crystal structures. University of Gottingen. Germany. ; _publ_section_figure_captions ; ? ; _publ_section_acknowledgements ; ? ; data_st552 _database_code_CSD 188401 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C66 H56 F2 O2 P5 Pt2, 0.5(C H2 CL2), P F6' _chemical_formula_sum 'C66.50 H57 Cl F8 O2 P6 Pt2' _chemical_formula_weight 1651.57 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source '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' 'P' 'P' 0.1023 0.0942 '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' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' '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' _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P-1' _symmetry_space_group_name_Hall '-P 1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 12.8475(10) _cell_length_b 13.5108(10) _cell_length_c 19.1073(10) _cell_angle_alpha 84.582(10) _cell_angle_beta 86.194(10) _cell_angle_gamma 86.953(10) _cell_volume 3290.9(4) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 23326 _cell_measurement_theta_min 1.4 _cell_measurement_theta_max 27.5 _cell_special_details ; Cell parameters refined using Scalepack part of DENZO Z. Otwinowski, W. Minor, 1997 ; _exptl_crystal_description prism _exptl_crystal_colour 'colorless' _exptl_crystal_size_max 0.18 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.06 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.667 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1614 _exptl_absorpt_coefficient_mu 4.498 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type KappaCCD _diffrn_measurement_method '\p scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 15019 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_sigmaI/netI 0.0843 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_theta_min 1.07 _diffrn_reflns_theta_max 27.50 _reflns_number_total 15019 _reflns_number_gt 11092 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Collect (Nonius B.V., 1998)' _computing_cell_refinement 'Denzo (Nonius B.V., 1998)' _computing_data_reduction 'Denzo (Nonius B.V., 1998)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'ATOMS V6 (Dowty, 2002)' _computing_publication_material 'SHELXL-97 (Sheldrick, 1997)' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0670P)^2^+0.0105P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 15019 _refine_ls_number_parameters 784 _refine_ls_number_restraints 3 _refine_ls_R_factor_all 0.0660 _refine_ls_R_factor_gt 0.0414 _refine_ls_wR_factor_ref 0.1361 _refine_ls_wR_factor_gt 0.1156 _refine_ls_goodness_of_fit_ref 1.050 _refine_ls_restrained_S_all 1.052 _refine_ls_shift/su_max 0.002 _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 Pt2 Pt 0.184106(17) 0.552341(16) 0.304528(12) 0.02099(8) Uani 1 1 d . . . Pt1 Pt 0.081071(19) 0.669252(18) 0.193782(13) 0.02622(8) Uani 1 1 d . . . P3 P 0.30225(12) 0.53735(11) 0.39004(8) 0.0204(3) Uani 1 1 d . . . C1 C 0.3450(5) 0.6517(4) 0.4208(3) 0.0221(13) Uani 1 1 d . . . C2 C 0.4512(5) 0.6775(5) 0.4130(3) 0.0279(14) Uani 1 1 d . . . H2 H 0.5017 0.6358 0.3922 0.033 Uiso 1 1 calc . . . C3 C 0.4778(6) 0.7651(5) 0.4367(4) 0.0399(18) Uani 1 1 d . . . H3 H 0.5475 0.7812 0.4338 0.048 Uiso 1 1 calc . . . C4 C 0.4023(7) 0.8301(5) 0.4650(4) 0.044(2) Uani 1 1 d . . . H4 H 0.4215 0.8901 0.4794 0.052 Uiso 1 1 calc . . . C5 C 0.2992(6) 0.8058(5) 0.4719(4) 0.0354(16) Uani 1 1 d . . . H5 H 0.2487 0.8487 0.4914 0.042 Uiso 1 1 calc . . . C6 C 0.2717(5) 0.7173(5) 0.4497(4) 0.0306(15) Uani 1 1 d . . . H6 H 0.2019 0.7012 0.4542 0.037 Uiso 1 1 calc . . . C7 C 0.4225(5) 0.4702(4) 0.3603(3) 0.0235(13) Uani 1 1 d . . . C8 C 0.4707(5) 0.5055(5) 0.2965(4) 0.0330(16) Uani 1 1 d . . . H8 H 0.4412 0.5608 0.2711 0.040 Uiso 1 1 calc . . . C9 C 0.5614(6) 0.4603(6) 0.2702(4) 0.0427(19) Uani 1 1 d . . . H9 H 0.5935 0.4856 0.2277 0.051 Uiso 1 1 calc . . . C10 C 0.6044(6) 0.3775(6) 0.3069(4) 0.0438(19) Uani 1 1 d . . . H10 H 0.6658 0.3465 0.2895 0.053 Uiso 1 1 calc . . . C11 C 0.5561(5) 0.3409(6) 0.3697(4) 0.0379(18) Uani 1 1 d . . . H11 H 0.5851 0.2841 0.3939 0.046 Uiso 1 1 calc . . . C12 C 0.4666(5) 0.3853(5) 0.3979(3) 0.0282(14) Uani 1 1 d . . . H12 H 0.4357 0.3600 0.4408 0.034 Uiso 1 1 calc . . . C13 C 0.2493(5) 0.4739(5) 0.4719(3) 0.0243(13) Uani 1 1 d . . . C14 C 0.3103(5) 0.4550(5) 0.5312(3) 0.0308(15) Uani 1 1 d . . . H14 H 0.3779 0.4770 0.5292 0.037 Uiso 1 1 calc . . . C15 C 0.2696(5) 0.4040(5) 0.5919(3) 0.0324(16) Uani 1 1 d . . . H15 H 0.3107 0.3905 0.6302 0.039 Uiso 1 1 calc . . . C16 C 0.1677(5) 0.3722(6) 0.5966(4) 0.0360(17) Uani 1 1 d . . . H16 H 0.1420 0.3355 0.6371 0.043 Uiso 1 1 calc . . . C17 C 0.1045(5) 0.3958(6) 0.5402(4) 0.0366(17) Uani 1 1 d . . . H17 H 0.0354 0.3777 0.5440 0.044 Uiso 1 1 calc . . . C18 C 0.1448(5) 0.4465(5) 0.4779(3) 0.0282(14) Uani 1 1 d . . . H18 H 0.1025 0.4621 0.4403 0.034 Uiso 1 1 calc . . . P2 P 0.16849(12) 0.38282(12) 0.28973(9) 0.0237(3) Uani 1 1 d . . . C19 C 0.2567(5) 0.2823(5) 0.3274(4) 0.0270(14) Uani 1 1 d . . . C20 C 0.3419(6) 0.2398(6) 0.2896(4) 0.0417(18) Uani 1 1 d . . . H20 H 0.3570 0.2623 0.2427 0.050 Uiso 1 1 calc . . . C21 C 0.4033(7) 0.1645(7) 0.3219(6) 0.066(3) Uani 1 1 d . . . H21 H 0.4591 0.1363 0.2959 0.079 Uiso 1 1 calc . . . C22 C 0.3848(7) 0.1301(6) 0.3906(6) 0.055(2) Uani 1 1 d . . . H22 H 0.4282 0.0801 0.4115 0.066 Uiso 1 1 calc . . . C23 C 0.3017(7) 0.1699(6) 0.4283(5) 0.049(2) Uani 1 1 d . . . H23 H 0.2882 0.1470 0.4754 0.059 Uiso 1 1 calc . . . C24 C 0.2364(6) 0.2453(5) 0.3964(4) 0.0371(17) Uani 1 1 d . . . H24 H 0.1787 0.2706 0.4222 0.045 Uiso 1 1 calc . . . C25 C 0.0415(5) 0.3322(5) 0.3152(3) 0.0266(14) Uani 1 1 d . . . C26 C 0.0234(6) 0.2327(5) 0.3065(4) 0.0403(18) Uani 1 1 d . . . H26 H 0.0758 0.1921 0.2867 0.048 Uiso 1 1 calc . . . C27 C -0.0743(6) 0.1951(6) 0.3279(5) 0.049(2) Uani 1 1 d . . . H27 H -0.0879 0.1301 0.3205 0.059 Uiso 1 1 calc . . . C28 C -0.1501(6) 0.2543(6) 0.3599(5) 0.049(2) Uani 1 1 d . . . H28 H -0.2131 0.2272 0.3763 0.058 Uiso 1 1 calc . . . C29 C -0.1352(5) 0.3515(6) 0.3680(4) 0.0433(19) Uani 1 1 d . . . H29 H -0.1887 0.3907 0.3881 0.052 Uiso 1 1 calc . . . C30 C -0.0385(5) 0.3922(5) 0.3460(4) 0.0353(16) Uani 1 1 d . . . H30 H -0.0276 0.4583 0.3518 0.042 Uiso 1 1 calc . . . C31 C 0.1879(6) 0.3824(5) 0.1937(3) 0.0322(16) Uani 1 1 d . . . C32 C 0.1118(7) 0.3574(6) 0.1531(4) 0.048(2) Uani 1 1 d . . . H32 H 0.0481 0.3372 0.1742 0.057 Uiso 1 1 calc . . . C33 C 0.1294(10) 0.3620(7) 0.0796(5) 0.074(3) Uani 1 1 d . . . H33 H 0.0777 0.3444 0.0519 0.089 Uiso 1 1 calc . . . C34 C 0.2231(13) 0.3926(8) 0.0491(5) 0.092(4) Uani 1 1 d . . . H34 H 0.2345 0.3942 0.0005 0.111 Uiso 1 1 calc . . . C35 C 0.3024(9) 0.4216(8) 0.0888(5) 0.077(3) Uani 1 1 d . . . H35 H 0.3652 0.4431 0.0671 0.092 Uiso 1 1 calc . . . C36 C 0.2844(7) 0.4172(6) 0.1616(5) 0.057(2) Uani 1 1 d . . . H36 H 0.3351 0.4369 0.1893 0.068 Uiso 1 1 calc . . . P4 P 0.19805(13) 0.71601(12) 0.26184(9) 0.0241(4) Uani 1 1 d . . . C37 C 0.3290(5) 0.7318(5) 0.2233(4) 0.0317(16) Uani 1 1 d . . . C38 C 0.3579(6) 0.6829(5) 0.1632(4) 0.0384(18) Uani 1 1 d . . . H38 H 0.3075 0.6527 0.1408 0.046 Uiso 1 1 calc . . . C39 C 0.4623(7) 0.6790(6) 0.1361(5) 0.054(2) Uani 1 1 d . . . H39 H 0.4810 0.6475 0.0956 0.064 Uiso 1 1 calc . . . C40 C 0.5380(6) 0.7231(7) 0.1710(5) 0.057(3) Uani 1 1 d . . . H40 H 0.6078 0.7180 0.1550 0.069 Uiso 1 1 calc . . . C41 C 0.5090(6) 0.7737(7) 0.2287(5) 0.053(2) Uani 1 1 d . . . H41 H 0.5594 0.8057 0.2497 0.063 Uiso 1 1 calc . . . C42 C 0.4070(6) 0.7782(5) 0.2564(4) 0.0365(17) Uani 1 1 d . . . H42 H 0.3895 0.8114 0.2963 0.044 Uiso 1 1 calc . . . C43 C 0.1523(5) 0.8195(5) 0.3104(3) 0.0267(14) Uani 1 1 d . . . C44 C 0.0604(6) 0.8055(6) 0.3548(4) 0.0430(19) Uani 1 1 d . . . H44 H 0.0293 0.7445 0.3584 0.052 Uiso 1 1 calc . . . C45 C 0.0170(6) 0.8798(7) 0.3922(5) 0.052(2) Uani 1 1 d . . . H45 H -0.0449 0.8700 0.4195 0.062 Uiso 1 1 calc . . . C46 C 0.0647(7) 0.9705(6) 0.3899(5) 0.053(2) Uani 1 1 d . . . H46 H 0.0371 1.0203 0.4171 0.063 Uiso 1 1 calc . . . C47 C 0.1519(7) 0.9844(5) 0.3474(4) 0.046(2) Uani 1 1 d . . . H47 H 0.1832 1.0452 0.3452 0.056 Uiso 1 1 calc . . . C48 C 0.1966(6) 0.9118(5) 0.3068(4) 0.0341(16) Uani 1 1 d . . . H48 H 0.2558 0.9246 0.2773 0.041 Uiso 1 1 calc . . . P1 P 0.06502(14) 0.80353(13) 0.11270(9) 0.0279(4) Uani 1 1 d . . . C49 C 0.1328(6) 0.9171(5) 0.1242(4) 0.0387(18) Uani 1 1 d . . . C50 C 0.2431(6) 0.9141(6) 0.1135(4) 0.045(2) Uani 1 1 d . . . H50 H 0.2798 0.8582 0.0981 0.054 Uiso 1 1 calc . . . C51 C 0.2948(7) 0.9978(7) 0.1269(5) 0.059(3) Uani 1 1 d . . . H51 H 0.3674 0.9968 0.1227 0.071 Uiso 1 1 calc . . . C52 C 0.2389(11) 1.0827(7) 0.1465(5) 0.079(4) Uani 1 1 d . . . H52 H 0.2745 1.1381 0.1549 0.095 Uiso 1 1 calc . . . C53 C 0.1258(10) 1.0859(7) 0.1540(5) 0.074(3) Uani 1 1 d . . . H53 H 0.0885 1.1436 0.1655 0.088 Uiso 1 1 calc . . . C54 C 0.0747(7) 1.0023(6) 0.1439(4) 0.051(2) Uani 1 1 d . . . H54 H 0.0023 1.0020 0.1500 0.061 Uiso 1 1 calc . . . C55 C 0.1129(5) 0.7748(5) 0.0246(3) 0.0316(15) Uani 1 1 d . . . C56 C 0.1266(6) 0.8490(6) -0.0304(4) 0.0422(18) Uani 1 1 d . . . H56 H 0.1159 0.9156 -0.0221 0.051 Uiso 1 1 calc . . . C57 C 0.1563(7) 0.8232(6) -0.0982(4) 0.051(2) Uani 1 1 d . . . H57 H 0.1638 0.8731 -0.1349 0.061 Uiso 1 1 calc . . . C58 C 0.1746(8) 0.7268(7) -0.1115(4) 0.060(2) Uani 1 1 d . . . H58 H 0.1932 0.7110 -0.1571 0.072 Uiso 1 1 calc . . . C59 C 0.1656(8) 0.6517(6) -0.0571(5) 0.059(2) Uani 1 1 d . . . H59 H 0.1809 0.5857 -0.0658 0.071 Uiso 1 1 calc . . . C60 C 0.1338(7) 0.6751(6) 0.0105(4) 0.049(2) Uani 1 1 d . . . H60 H 0.1262 0.6245 0.0467 0.059 Uiso 1 1 calc . . . C61 C -0.0711(5) 0.8421(5) 0.1090(4) 0.0318(15) Uani 1 1 d . . . C62 C -0.1200(6) 0.8499(6) 0.0444(4) 0.0407(18) Uani 1 1 d . . . H62 H -0.0836 0.8355 0.0026 0.049 Uiso 1 1 calc . . . C63 C -0.2258(6) 0.8803(7) 0.0465(4) 0.055(2) Uani 1 1 d . . . H63 H -0.2601 0.8860 0.0049 0.066 Uiso 1 1 calc . . . C64 C -0.2815(7) 0.9022(7) 0.1076(6) 0.062(3) Uani 1 1 d . . . H64 H -0.3518 0.9221 0.1066 0.074 Uiso 1 1 calc . . . C65 C -0.2343(7) 0.8950(7) 0.1694(5) 0.060(2) Uani 1 1 d . . . H65 H -0.2715 0.9109 0.2106 0.072 Uiso 1 1 calc . . . C66 C -0.1283(6) 0.8630(6) 0.1704(4) 0.047(2) Uani 1 1 d . . . H66 H -0.0961 0.8558 0.2129 0.057 Uiso 1 1 calc . . . P5 P -0.14785(15) 0.57703(15) 0.17109(10) 0.0360(4) Uani 1 1 d . . . O1 O -0.0410(4) 0.6051(4) 0.1432(2) 0.0362(12) Uani 1 1 d . . . F1 F -0.1792(4) 0.6331(5) 0.2367(3) 0.0790(18) Uani 1 1 d . . . F2 F -0.1367(5) 0.4704(4) 0.2080(3) 0.0787(18) Uani 1 1 d . . . O2 O -0.2329(4) 0.5807(5) 0.1259(3) 0.0536(15) Uani 1 1 d . . . P6 P 0.30475(17) 0.01299(17) 0.63312(13) 0.0497(6) Uani 1 1 d . . . F3 F 0.2711(4) 0.1276(4) 0.6273(4) 0.091(2) Uani 1 1 d . . . F4 F 0.3903(4) 0.0294(4) 0.5696(3) 0.0593(13) Uani 1 1 d . . . F5 F 0.3885(4) 0.0347(5) 0.6871(3) 0.0824(18) Uani 1 1 d . . . F6 F 0.3383(4) -0.1014(4) 0.6405(3) 0.0755(17) Uani 1 1 d . . . F7 F 0.2171(4) -0.0055(5) 0.6958(3) 0.090(2) Uani 1 1 d . . . F8 F 0.2197(4) -0.0100(4) 0.5789(3) 0.0674(15) Uani 1 1 d . . . C67 C 0.436(2) 0.7643(15) 0.9433(7) 0.22(3) Uani 0.50 1 d PD . . H67A H 0.4765 0.7033 0.9560 0.269 Uiso 0.50 1 calc P . . H67B H 0.3636 0.7553 0.9587 0.269 Uiso 0.50 1 calc P . . Cl1 Cl 0.4848(6) 0.8655(7) 0.9813(4) 0.137(4) Uani 0.50 1 d PD . . Cl2 Cl 0.4497(6) 0.7973(13) 0.8527(4) 0.233(8) Uani 0.50 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 Pt2 0.02304(13) 0.01579(13) 0.02450(14) 0.00128(9) -0.00798(10) -0.00175(9) Pt1 0.03196(15) 0.01888(14) 0.02866(15) 0.00107(10) -0.01088(11) -0.00352(10) P3 0.0203(8) 0.0181(8) 0.0230(8) 0.0014(6) -0.0067(6) -0.0010(6) C1 0.028(3) 0.016(3) 0.023(3) 0.002(2) -0.009(3) -0.003(3) C2 0.027(3) 0.024(3) 0.033(4) -0.003(3) -0.004(3) -0.003(3) C3 0.046(4) 0.031(4) 0.045(4) 0.006(3) -0.018(4) -0.018(3) C4 0.079(6) 0.019(4) 0.037(4) 0.000(3) -0.025(4) -0.013(4) C5 0.043(4) 0.031(4) 0.033(4) -0.008(3) -0.010(3) 0.009(3) C6 0.034(4) 0.027(4) 0.031(4) 0.001(3) -0.011(3) -0.004(3) C7 0.020(3) 0.022(3) 0.030(3) -0.009(3) -0.001(3) -0.002(2) C8 0.028(4) 0.030(4) 0.040(4) 0.001(3) -0.005(3) 0.008(3) C9 0.033(4) 0.047(5) 0.045(5) 0.003(4) -0.003(3) 0.004(3) C10 0.029(4) 0.056(5) 0.045(5) -0.007(4) -0.004(3) 0.012(4) C11 0.032(4) 0.037(4) 0.046(4) -0.001(3) -0.022(3) 0.010(3) C12 0.024(3) 0.032(4) 0.030(4) -0.004(3) -0.009(3) 0.005(3) C13 0.027(3) 0.022(3) 0.024(3) 0.001(3) -0.008(3) -0.006(3) C14 0.030(4) 0.036(4) 0.027(3) -0.001(3) -0.012(3) -0.005(3) C15 0.032(4) 0.039(4) 0.024(3) 0.007(3) -0.004(3) 0.001(3) C16 0.034(4) 0.045(4) 0.026(4) 0.013(3) -0.003(3) -0.006(3) C17 0.030(4) 0.045(4) 0.035(4) -0.002(3) 0.006(3) -0.020(3) C18 0.022(3) 0.034(4) 0.030(4) -0.005(3) -0.008(3) 0.004(3) P2 0.0255(8) 0.0180(8) 0.0282(9) -0.0008(7) -0.0078(7) -0.0011(6) C19 0.030(3) 0.020(3) 0.033(4) -0.007(3) -0.012(3) 0.001(3) C20 0.033(4) 0.040(4) 0.055(5) -0.014(4) -0.014(4) 0.006(3) C21 0.049(5) 0.050(6) 0.103(8) -0.029(6) -0.017(5) 0.019(4) C22 0.056(5) 0.031(4) 0.080(7) -0.004(4) -0.033(5) 0.011(4) C23 0.064(6) 0.026(4) 0.059(5) 0.004(4) -0.034(4) -0.003(4) C24 0.040(4) 0.026(4) 0.045(4) 0.003(3) -0.012(3) 0.001(3) C25 0.021(3) 0.021(3) 0.038(4) -0.004(3) -0.008(3) 0.000(3) C26 0.037(4) 0.027(4) 0.057(5) -0.005(3) -0.007(4) 0.000(3) C27 0.045(5) 0.025(4) 0.079(6) 0.001(4) -0.008(4) -0.014(4) C28 0.027(4) 0.049(5) 0.068(6) 0.008(4) -0.003(4) -0.010(4) C29 0.024(4) 0.044(5) 0.063(5) -0.003(4) -0.008(3) 0.001(3) C30 0.036(4) 0.029(4) 0.041(4) -0.002(3) -0.006(3) -0.001(3) C31 0.051(4) 0.023(3) 0.023(3) -0.004(3) -0.004(3) 0.001(3) C32 0.066(5) 0.038(5) 0.043(5) -0.014(4) -0.022(4) 0.009(4) C33 0.131(10) 0.043(6) 0.050(6) -0.012(5) -0.043(6) 0.026(6) C34 0.183(14) 0.057(7) 0.033(5) -0.008(5) 0.009(7) 0.016(8) C35 0.114(9) 0.074(7) 0.039(5) -0.003(5) 0.024(6) -0.009(7) C36 0.079(6) 0.042(5) 0.049(5) -0.006(4) 0.006(5) -0.013(5) P4 0.0279(9) 0.0165(8) 0.0286(9) 0.0013(6) -0.0112(7) -0.0020(7) C37 0.029(3) 0.024(4) 0.039(4) 0.009(3) -0.006(3) 0.002(3) C38 0.050(4) 0.027(4) 0.035(4) 0.007(3) 0.006(3) 0.001(3) C39 0.058(5) 0.044(5) 0.055(5) 0.000(4) 0.015(4) 0.008(4) C40 0.036(5) 0.053(6) 0.074(7) 0.026(5) 0.016(4) 0.005(4) C41 0.026(4) 0.059(6) 0.070(6) 0.014(5) -0.003(4) -0.010(4) C42 0.037(4) 0.031(4) 0.041(4) 0.009(3) -0.008(3) -0.012(3) C43 0.027(3) 0.027(4) 0.027(3) 0.000(3) -0.012(3) -0.001(3) C44 0.038(4) 0.035(4) 0.054(5) 0.007(4) -0.009(4) -0.004(3) C45 0.049(5) 0.048(5) 0.054(5) -0.003(4) 0.016(4) 0.014(4) C46 0.072(6) 0.035(5) 0.050(5) -0.009(4) -0.008(5) 0.017(4) C47 0.066(6) 0.021(4) 0.054(5) -0.005(3) -0.019(4) -0.005(4) C48 0.042(4) 0.026(4) 0.035(4) -0.001(3) -0.012(3) 0.003(3) P1 0.0360(10) 0.0214(9) 0.0266(9) 0.0015(7) -0.0111(7) 0.0008(7) C49 0.068(5) 0.024(4) 0.025(3) 0.012(3) -0.015(3) -0.015(4) C50 0.057(5) 0.033(4) 0.042(4) 0.019(3) -0.014(4) -0.010(4) C51 0.077(6) 0.054(6) 0.048(5) 0.020(4) -0.026(5) -0.037(5) C52 0.159(12) 0.040(6) 0.044(5) 0.008(4) -0.039(6) -0.047(7) C53 0.130(10) 0.041(5) 0.051(6) -0.009(4) -0.002(6) -0.018(6) C54 0.079(6) 0.027(4) 0.050(5) -0.004(4) -0.018(4) -0.009(4) C55 0.039(4) 0.030(4) 0.026(3) 0.002(3) -0.007(3) -0.004(3) C56 0.053(5) 0.035(4) 0.037(4) -0.001(3) 0.003(4) -0.001(4) C57 0.068(6) 0.047(5) 0.036(4) -0.003(4) 0.000(4) 0.003(4) C58 0.089(7) 0.054(6) 0.035(4) -0.006(4) 0.023(4) -0.002(5) C59 0.079(7) 0.037(5) 0.059(6) -0.017(4) 0.010(5) 0.009(4) C60 0.069(6) 0.033(4) 0.045(5) -0.012(4) -0.004(4) 0.004(4) C61 0.034(4) 0.026(4) 0.034(4) 0.005(3) -0.008(3) 0.001(3) C62 0.038(4) 0.049(5) 0.035(4) 0.005(3) -0.013(3) 0.007(4) C63 0.046(5) 0.072(6) 0.043(5) 0.020(4) -0.013(4) -0.008(4) C64 0.035(5) 0.067(6) 0.078(7) 0.017(5) -0.013(5) 0.005(4) C65 0.048(5) 0.070(6) 0.059(6) -0.010(5) 0.006(4) 0.011(5) C66 0.053(5) 0.048(5) 0.040(5) 0.000(4) -0.003(4) 0.002(4) P5 0.0421(11) 0.0380(11) 0.0292(9) -0.0021(8) -0.0095(8) -0.0070(9) O1 0.042(3) 0.036(3) 0.033(3) -0.002(2) -0.014(2) -0.013(2) F1 0.089(4) 0.106(5) 0.049(3) -0.038(3) 0.011(3) -0.027(4) F2 0.082(4) 0.060(4) 0.091(4) 0.032(3) -0.029(3) -0.020(3) O2 0.042(3) 0.079(4) 0.041(3) -0.009(3) -0.008(3) -0.002(3) P6 0.0455(12) 0.0383(12) 0.0671(15) -0.0132(11) 0.0004(11) -0.0084(10) F3 0.078(4) 0.043(3) 0.153(6) -0.031(4) 0.016(4) 0.008(3) F4 0.053(3) 0.056(3) 0.068(3) -0.006(3) 0.012(2) -0.013(2) F5 0.071(4) 0.101(5) 0.083(4) -0.035(4) -0.008(3) -0.025(3) F6 0.071(4) 0.050(3) 0.104(5) 0.013(3) -0.019(3) -0.010(3) F7 0.074(4) 0.125(5) 0.078(4) -0.041(4) 0.020(3) -0.044(4) F8 0.056(3) 0.063(3) 0.087(4) -0.010(3) -0.026(3) 0.000(3) C67 0.062(18) 0.50(9) 0.09(2) 0.06(4) -0.017(16) -0.02(3) Cl1 0.115(6) 0.205(9) 0.084(5) 0.059(5) -0.009(4) -0.089(6) Cl2 0.073(5) 0.55(3) 0.095(6) -0.109(10) 0.027(4) -0.045(9) _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 Pt2 P3 2.2910(15) . ? Pt2 P4 2.2955(16) . ? Pt2 P2 2.3547(16) . ? Pt2 Pt1 2.8711(4) . ? Pt1 O1 2.156(4) . ? Pt1 P4 2.2055(16) . ? Pt1 P1 2.2817(16) . ? P3 C13 1.820(6) . ? P3 C1 1.828(6) . ? P3 C7 1.834(6) . ? C1 C6 1.382(9) . ? C1 C2 1.421(8) . ? C2 C3 1.375(9) . ? C2 H2 0.9307 . ? C3 C4 1.391(11) . ? C3 H3 0.9306 . ? C4 C5 1.376(10) . ? C4 H4 0.9306 . ? C5 C6 1.377(10) . ? C5 H5 0.9304 . ? C6 H6 0.9307 . ? C7 C8 1.384(9) . ? C7 C12 1.408(9) . ? C8 C9 1.374(10) . ? C8 H8 0.9318 . ? C9 C10 1.373(11) . ? C9 H9 0.9272 . ? C10 C11 1.376(10) . ? C10 H10 0.9282 . ? C11 C12 1.371(10) . ? C11 H11 0.9334 . ? C12 H12 0.9286 . ? C13 C18 1.406(8) . ? C13 C14 1.415(8) . ? C14 C15 1.379(9) . ? C14 H14 0.9300 . ? C15 C16 1.394(9) . ? C15 H15 0.9334 . ? C16 C17 1.394(10) . ? C16 H16 0.9302 . ? C17 C18 1.400(9) . ? C17 H17 0.9295 . ? C18 H18 0.9288 . ? P2 C25 1.821(6) . ? P2 C31 1.835(7) . ? P2 C19 1.846(7) . ? C19 C24 1.378(10) . ? C19 C20 1.399(10) . ? C20 C21 1.378(12) . ? C20 H20 0.9317 . ? C21 C22 1.360(14) . ? C21 H21 0.9308 . ? C22 C23 1.364(13) . ? C22 H22 0.9290 . ? C23 C24 1.405(10) . ? C23 H23 0.9277 . ? C24 H24 0.9291 . ? C25 C26 1.403(9) . ? C25 C30 1.407(9) . ? C26 C27 1.400(10) . ? C26 H26 0.9287 . ? C27 C28 1.375(12) . ? C27 H27 0.9300 . ? C28 C29 1.362(11) . ? C28 H28 0.9299 . ? C29 C30 1.408(9) . ? C29 H29 0.9298 . ? C30 H30 0.9306 . ? C31 C32 1.364(10) . ? C31 C36 1.429(11) . ? C32 C33 1.403(12) . ? C32 H32 0.9311 . ? C33 C34 1.369(16) . ? C33 H33 0.9240 . ? C34 C35 1.403(16) . ? C34 H34 0.9293 . ? C35 C36 1.392(12) . ? C35 H35 0.9303 . ? C36 H36 0.9336 . ? P4 C43 1.802(7) . ? P4 C37 1.805(7) . ? C37 C38 1.399(10) . ? C37 C42 1.423(10) . ? C38 C39 1.405(11) . ? C38 H38 0.9282 . ? C39 C40 1.402(13) . ? C39 H39 0.9303 . ? C40 C41 1.371(13) . ? C40 H40 0.9284 . ? C41 C42 1.381(10) . ? C41 H41 0.9323 . ? C42 H42 0.9298 . ? C43 C48 1.392(9) . ? C43 C44 1.417(10) . ? C44 C45 1.361(11) . ? C44 H44 0.9299 . ? C45 C46 1.395(12) . ? C45 H45 0.9294 . ? C46 C47 1.350(11) . ? C46 H46 0.9301 . ? C47 C48 1.384(11) . ? C47 H47 0.9292 . ? C48 H48 0.9299 . ? P1 C61 1.801(7) . ? P1 C55 1.822(7) . ? P1 C49 1.842(7) . ? C49 C54 1.406(11) . ? C49 C50 1.418(11) . ? C50 C51 1.393(11) . ? C50 H50 0.9293 . ? C51 C52 1.389(15) . ? C51 H51 0.9296 . ? C52 C53 1.450(15) . ? C52 H52 0.9289 . ? C53 C54 1.371(12) . ? C53 H53 0.9273 . ? C54 H54 0.9283 . ? C55 C56 1.391(9) . ? C55 C60 1.407(10) . ? C56 C57 1.396(11) . ? C56 H56 0.9301 . ? C57 C58 1.356(12) . ? C57 H57 0.9266 . ? C58 C59 1.385(12) . ? C58 H58 0.9292 . ? C59 C60 1.389(11) . ? C59 H59 0.9296 . ? C60 H60 0.9338 . ? C61 C66 1.385(10) . ? C61 C62 1.416(9) . ? C62 C63 1.399(11) . ? C62 H62 0.9285 . ? C63 C64 1.376(13) . ? C63 H63 0.9355 . ? C64 C65 1.355(13) . ? C64 H64 0.9331 . ? C65 C66 1.408(11) . ? C65 H65 0.9315 . ? C66 H66 0.9269 . ? P5 O2 1.432(6) . ? P5 O1 1.494(5) . ? P5 F2 1.547(6) . ? P5 F1 1.546(5) . ? P6 F3 1.582(6) . ? P6 F6 1.578(6) . ? P6 F4 1.590(5) . ? P6 F7 1.599(6) . ? P6 F5 1.594(6) . ? P6 F8 1.615(5) . ? C67 Cl2 1.747(10) . ? C67 Cl1 1.767(10) . ? C67 H67A 0.9555 . ? C67 H67B 0.9867 . ? 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 P3 Pt2 P4 101.39(6) . . ? P3 Pt2 P2 99.42(6) . . ? P4 Pt2 P2 152.41(6) . . ? P3 Pt2 Pt1 150.37(4) . . ? P4 Pt2 Pt1 49.00(4) . . ? P2 Pt2 Pt1 108.46(4) . . ? O1 Pt1 P4 169.74(13) . . ? O1 Pt1 P1 87.16(13) . . ? P4 Pt1 P1 102.42(6) . . ? O1 Pt1 Pt2 119.17(12) . . ? P4 Pt1 Pt2 51.76(4) . . ? P1 Pt1 Pt2 153.13(5) . . ? C13 P3 C1 101.2(3) . . ? C13 P3 C7 109.3(3) . . ? C1 P3 C7 105.3(3) . . ? C13 P3 Pt2 111.9(2) . . ? C1 P3 Pt2 117.7(2) . . ? C7 P3 Pt2 110.8(2) . . ? C6 C1 C2 118.8(6) . . ? C6 C1 P3 119.4(5) . . ? C2 C1 P3 121.7(5) . . ? C3 C2 C1 118.7(6) . . ? C3 C2 H2 120.5 . . ? C1 C2 H2 120.7 . . ? C2 C3 C4 121.2(7) . . ? C2 C3 H3 119.3 . . ? C4 C3 H3 119.5 . . ? C5 C4 C3 120.1(6) . . ? C5 C4 H4 120.2 . . ? C3 C4 H4 119.7 . . ? C6 C5 C4 119.3(7) . . ? C6 C5 H5 120.3 . . ? C4 C5 H5 120.4 . . ? C5 C6 C1 121.8(6) . . ? C5 C6 H6 119.0 . . ? C1 C6 H6 119.2 . . ? C8 C7 C12 119.1(6) . . ? C8 C7 P3 117.1(5) . . ? C12 C7 P3 123.8(5) . . ? C9 C8 C7 121.2(6) . . ? C9 C8 H8 119.3 . . ? C7 C8 H8 119.5 . . ? C10 C9 C8 119.8(7) . . ? C10 C9 H9 119.9 . . ? C8 C9 H9 120.4 . . ? C9 C10 C11 119.5(7) . . ? C9 C10 H10 119.8 . . ? C11 C10 H10 120.7 . . ? C12 C11 C10 122.1(7) . . ? C12 C11 H11 118.9 . . ? C10 C11 H11 119.0 . . ? C11 C12 C7 118.4(6) . . ? C11 C12 H12 121.0 . . ? C7 C12 H12 120.6 . . ? C18 C13 C14 119.0(6) . . ? C18 C13 P3 119.9(5) . . ? C14 C13 P3 121.1(5) . . ? C15 C14 C13 120.0(6) . . ? C15 C14 H14 120.1 . . ? C13 C14 H14 119.9 . . ? C14 C15 C16 120.9(6) . . ? C14 C15 H15 119.5 . . ? C16 C15 H15 119.5 . . ? C17 C16 C15 119.6(6) . . ? C17 C16 H16 120.2 . . ? C15 C16 H16 120.2 . . ? C16 C17 C18 120.2(6) . . ? C16 C17 H17 119.8 . . ? C18 C17 H17 120.0 . . ? C17 C18 C13 120.0(6) . . ? C17 C18 H18 120.0 . . ? C13 C18 H18 120.0 . . ? C25 P2 C31 107.1(3) . . ? C25 P2 C19 101.0(3) . . ? C31 P2 C19 106.1(3) . . ? C25 P2 Pt2 116.3(2) . . ? C31 P2 Pt2 101.6(2) . . ? C19 P2 Pt2 123.6(2) . . ? C24 C19 C20 117.9(7) . . ? C24 C19 P2 118.3(5) . . ? C20 C19 P2 123.8(6) . . ? C21 C20 C19 119.9(8) . . ? C21 C20 H20 120.1 . . ? C19 C20 H20 120.0 . . ? C22 C21 C20 122.0(9) . . ? C22 C21 H21 119.3 . . ? C20 C21 H21 118.7 . . ? C21 C22 C23 119.1(8) . . ? C21 C22 H22 120.3 . . ? C23 C22 H22 120.6 . . ? C22 C23 C24 120.2(8) . . ? C22 C23 H23 120.0 . . ? C24 C23 H23 119.8 . . ? C19 C24 C23 120.9(7) . . ? C19 C24 H24 119.8 . . ? C23 C24 H24 119.3 . . ? C26 C25 C30 119.4(6) . . ? C26 C25 P2 120.7(5) . . ? C30 C25 P2 119.9(5) . . ? C27 C26 C25 119.5(7) . . ? C27 C26 H26 120.3 . . ? C25 C26 H26 120.2 . . ? C28 C27 C26 120.0(7) . . ? C28 C27 H27 120.0 . . ? C26 C27 H27 120.0 . . ? C29 C28 C27 121.7(7) . . ? C29 C28 H28 119.2 . . ? C27 C28 H28 119.1 . . ? C28 C29 C30 119.7(7) . . ? C28 C29 H29 120.1 . . ? C30 C29 H29 120.2 . . ? C25 C30 C29 119.6(6) . . ? C25 C30 H30 120.2 . . ? C29 C30 H30 120.2 . . ? C32 C31 C36 120.3(7) . . ? C32 C31 P2 122.4(6) . . ? C36 C31 P2 117.1(6) . . ? C31 C32 C33 120.1(9) . . ? C31 C32 H32 120.3 . . ? C33 C32 H32 119.7 . . ? C34 C33 C32 119.5(9) . . ? C34 C33 H33 120.3 . . ? C32 C33 H33 120.2 . . ? C33 C34 C35 122.2(9) . . ? C33 C34 H34 118.9 . . ? C35 C34 H34 118.9 . . ? C36 C35 C34 118.0(10) . . ? C36 C35 H35 121.1 . . ? C34 C35 H35 120.9 . . ? C35 C36 C31 119.8(9) . . ? C35 C36 H36 120.1 . . ? C31 C36 H36 120.1 . . ? C43 P4 C37 111.7(3) . . ? C43 P4 Pt1 113.2(2) . . ? C37 P4 Pt1 117.4(2) . . ? C43 P4 Pt2 123.8(2) . . ? C37 P4 Pt2 108.3(2) . . ? Pt1 P4 Pt2 79.24(5) . . ? C38 C37 C42 118.8(6) . . ? C38 C37 P4 117.1(5) . . ? C42 C37 P4 123.4(6) . . ? C37 C38 C39 120.7(7) . . ? C37 C38 H38 119.7 . . ? C39 C38 H38 119.7 . . ? C40 C39 C38 119.2(8) . . ? C40 C39 H39 120.4 . . ? C38 C39 H39 120.3 . . ? C41 C40 C39 120.0(7) . . ? C41 C40 H40 120.4 . . ? C39 C40 H40 119.5 . . ? C40 C41 C42 121.8(8) . . ? C40 C41 H41 119.1 . . ? C42 C41 H41 119.2 . . ? C41 C42 C37 119.4(8) . . ? C41 C42 H42 120.4 . . ? C37 C42 H42 120.1 . . ? C48 C43 C44 117.5(7) . . ? C48 C43 P4 126.3(5) . . ? C44 C43 P4 116.1(5) . . ? C45 C44 C43 121.1(7) . . ? C45 C44 H44 119.4 . . ? C43 C44 H44 119.4 . . ? C44 C45 C46 120.4(7) . . ? C44 C45 H45 119.9 . . ? C46 C45 H45 119.7 . . ? C47 C46 C45 118.6(8) . . ? C47 C46 H46 120.7 . . ? C45 C46 H46 120.7 . . ? C46 C47 C48 122.7(7) . . ? C46 C47 H47 118.6 . . ? C48 C47 H47 118.7 . . ? C47 C48 C43 119.6(7) . . ? C47 C48 H48 120.2 . . ? C43 C48 H48 120.3 . . ? C61 P1 C55 107.7(3) . . ? C61 P1 C49 105.5(4) . . ? C55 P1 C49 102.7(3) . . ? C61 P1 Pt1 108.9(2) . . ? C55 P1 Pt1 112.2(2) . . ? C49 P1 Pt1 119.2(2) . . ? C54 C49 C50 122.5(7) . . ? C54 C49 P1 119.7(6) . . ? C50 C49 P1 117.8(6) . . ? C51 C50 C49 117.7(8) . . ? C51 C50 H50 121.2 . . ? C49 C50 H50 121.1 . . ? C52 C51 C50 120.6(9) . . ? C52 C51 H51 119.6 . . ? C50 C51 H51 119.8 . . ? C51 C52 C53 120.8(8) . . ? C51 C52 H52 120.1 . . ? C53 C52 H52 119.1 . . ? C54 C53 C52 118.8(10) . . ? C54 C53 H53 120.8 . . ? C52 C53 H53 120.4 . . ? C53 C54 C49 119.5(9) . . ? C53 C54 H54 120.2 . . ? C49 C54 H54 120.3 . . ? C56 C55 C60 118.3(7) . . ? C56 C55 P1 121.8(6) . . ? C60 C55 P1 119.8(5) . . ? C57 C56 C55 119.9(7) . . ? C57 C56 H56 119.8 . . ? C55 C56 H56 120.3 . . ? C58 C57 C56 121.2(7) . . ? C58 C57 H57 119.4 . . ? C56 C57 H57 119.4 . . ? C57 C58 C59 120.1(7) . . ? C57 C58 H58 120.0 . . ? C59 C58 H58 119.9 . . ? C58 C59 C60 119.8(8) . . ? C58 C59 H59 119.8 . . ? C60 C59 H59 120.4 . . ? C59 C60 C55 120.6(7) . . ? C59 C60 H60 119.7 . . ? C55 C60 H60 119.7 . . ? C66 C61 C62 119.9(7) . . ? C66 C61 P1 119.5(6) . . ? C62 C61 P1 120.6(6) . . ? C63 C62 C61 116.7(7) . . ? C63 C62 H62 122.1 . . ? C61 C62 H62 121.3 . . ? C64 C63 C62 122.8(8) . . ? C64 C63 H63 118.6 . . ? C62 C63 H63 118.6 . . ? C65 C64 C63 120.4(8) . . ? C65 C64 H64 120.0 . . ? C63 C64 H64 119.6 . . ? C64 C65 C66 119.1(8) . . ? C64 C65 H65 120.8 . . ? C66 C65 H65 120.1 . . ? C61 C66 C65 121.1(8) . . ? C61 C66 H66 119.4 . . ? C65 C66 H66 119.5 . . ? O2 P5 O1 121.3(3) . . ? O2 P5 F2 108.2(4) . . ? O1 P5 F2 106.9(3) . . ? O2 P5 F1 110.5(3) . . ? O1 P5 F1 109.0(3) . . ? F2 P5 F1 98.6(4) . . ? P5 O1 Pt1 130.3(3) . . ? F3 P6 F6 178.9(4) . . ? F3 P6 F4 91.5(3) . . ? F6 P6 F4 89.3(3) . . ? F3 P6 F7 89.3(4) . . ? F6 P6 F7 90.0(3) . . ? F4 P6 F7 178.4(3) . . ? F3 P6 F5 88.5(4) . . ? F6 P6 F5 90.7(3) . . ? F4 P6 F5 89.9(3) . . ? F7 P6 F5 91.5(3) . . ? F3 P6 F8 92.0(3) . . ? F6 P6 F8 88.8(3) . . ? F4 P6 F8 90.4(3) . . ? F7 P6 F8 88.2(3) . . ? F5 P6 F8 179.4(4) . . ? Cl2 C67 Cl1 104.5(8) . . ? Cl2 C67 H67A 112.3 . . ? Cl1 C67 H67A 111.6 . . ? Cl2 C67 H67B 110.0 . . ? Cl1 C67 H67B 109.7 . . ? H67A C67 H67B 108.7 . . ? 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 P3 Pt2 Pt1 O1 -176.21(17) . . . . ? P4 Pt2 Pt1 O1 -174.23(16) . . . . ? P2 Pt2 Pt1 O1 24.36(16) . . . . ? P3 Pt2 Pt1 P4 -1.99(10) . . . . ? P2 Pt2 Pt1 P4 -161.41(7) . . . . ? P3 Pt2 Pt1 P1 16.36(14) . . . . ? P4 Pt2 Pt1 P1 18.35(12) . . . . ? P2 Pt2 Pt1 P1 -143.06(11) . . . . ? P4 Pt2 P3 C13 133.7(2) . . . . ? P2 Pt2 P3 C13 -64.5(2) . . . . ? Pt1 Pt2 P3 C13 135.2(2) . . . . ? P4 Pt2 P3 C1 17.1(2) . . . . ? P2 Pt2 P3 C1 178.9(2) . . . . ? Pt1 Pt2 P3 C1 18.6(3) . . . . ? P4 Pt2 P3 C7 -104.1(2) . . . . ? P2 Pt2 P3 C7 57.7(2) . . . . ? Pt1 Pt2 P3 C7 -102.5(2) . . . . ? C13 P3 C1 C6 -63.5(5) . . . . ? C7 P3 C1 C6 -177.3(5) . . . . ? Pt2 P3 C1 C6 58.7(5) . . . . ? C13 P3 C1 C2 119.4(5) . . . . ? C7 P3 C1 C2 5.6(6) . . . . ? Pt2 P3 C1 C2 -118.3(5) . . . . ? C6 C1 C2 C3 2.3(9) . . . . ? P3 C1 C2 C3 179.4(5) . . . . ? C1 C2 C3 C4 -2.9(10) . . . . ? C2 C3 C4 C5 2.2(11) . . . . ? C3 C4 C5 C6 -0.8(11) . . . . ? C4 C5 C6 C1 0.3(10) . . . . ? C2 C1 C6 C5 -1.0(10) . . . . ? P3 C1 C6 C5 -178.2(5) . . . . ? C13 P3 C7 C8 176.9(5) . . . . ? C1 P3 C7 C8 -75.1(6) . . . . ? Pt2 P3 C7 C8 53.1(5) . . . . ? C13 P3 C7 C12 -2.3(6) . . . . ? C1 P3 C7 C12 105.7(5) . . . . ? Pt2 P3 C7 C12 -126.1(5) . . . . ? C12 C7 C8 C9 -1.1(10) . . . . ? P3 C7 C8 C9 179.6(6) . . . . ? C7 C8 C9 C10 1.1(12) . . . . ? C8 C9 C10 C11 0.0(12) . . . . ? C9 C10 C11 C12 -1.1(12) . . . . ? C10 C11 C12 C7 1.1(11) . . . . ? C8 C7 C12 C11 0.0(10) . . . . ? P3 C7 C12 C11 179.2(5) . . . . ? C1 P3 C13 C18 122.3(6) . . . . ? C7 P3 C13 C18 -127.0(5) . . . . ? Pt2 P3 C13 C18 -3.9(6) . . . . ? C1 P3 C13 C14 -55.2(6) . . . . ? C7 P3 C13 C14 55.6(6) . . . . ? Pt2 P3 C13 C14 178.6(5) . . . . ? C18 C13 C14 C15 4.7(10) . . . . ? P3 C13 C14 C15 -177.9(6) . . . . ? C13 C14 C15 C16 -1.4(11) . . . . ? C14 C15 C16 C17 -2.6(12) . . . . ? C15 C16 C17 C18 3.4(12) . . . . ? C16 C17 C18 C13 0.0(11) . . . . ? C14 C13 C18 C17 -3.9(10) . . . . ? P3 C13 C18 C17 178.6(6) . . . . ? P3 Pt2 P2 C25 114.3(2) . . . . ? P4 Pt2 P2 C25 -107.1(3) . . . . ? Pt1 Pt2 P2 C25 -75.8(2) . . . . ? P3 Pt2 P2 C31 -129.9(2) . . . . ? P4 Pt2 P2 C31 8.7(3) . . . . ? Pt1 Pt2 P2 C31 40.0(2) . . . . ? P3 Pt2 P2 C19 -11.4(3) . . . . ? P4 Pt2 P2 C19 127.1(3) . . . . ? Pt1 Pt2 P2 C19 158.4(3) . . . . ? C25 P2 C19 C24 -48.7(6) . . . . ? C31 P2 C19 C24 -160.3(5) . . . . ? Pt2 P2 C19 C24 83.4(6) . . . . ? C25 P2 C19 C20 129.7(6) . . . . ? C31 P2 C19 C20 18.2(7) . . . . ? Pt2 P2 C19 C20 -98.1(6) . . . . ? C24 C19 C20 C21 -1.1(11) . . . . ? P2 C19 C20 C21 -179.6(6) . . . . ? C19 C20 C21 C22 -0.8(13) . . . . ? C20 C21 C22 C23 1.3(14) . . . . ? C21 C22 C23 C24 0.0(13) . . . . ? C20 C19 C24 C23 2.4(10) . . . . ? P2 C19 C24 C23 -179.0(5) . . . . ? C22 C23 C24 C19 -1.9(12) . . . . ? C31 P2 C25 C26 65.5(6) . . . . ? C19 P2 C25 C26 -45.4(6) . . . . ? Pt2 P2 C25 C26 178.1(5) . . . . ? C31 P2 C25 C30 -116.5(6) . . . . ? C19 P2 C25 C30 132.6(6) . . . . ? Pt2 P2 C25 C30 -3.9(6) . . . . ? C30 C25 C26 C27 0.7(11) . . . . ? P2 C25 C26 C27 178.7(6) . . . . ? C25 C26 C27 C28 -2.7(13) . . . . ? C26 C27 C28 C29 3.8(14) . . . . ? C27 C28 C29 C30 -2.7(13) . . . . ? C26 C25 C30 C29 0.4(10) . . . . ? P2 C25 C30 C29 -177.6(6) . . . . ? C28 C29 C30 C25 0.5(11) . . . . ? C25 P2 C31 C32 6.1(7) . . . . ? C19 P2 C31 C32 113.4(6) . . . . ? Pt2 P2 C31 C32 -116.2(6) . . . . ? C25 P2 C31 C36 -178.6(6) . . . . ? C19 P2 C31 C36 -71.3(6) . . . . ? Pt2 P2 C31 C36 59.0(6) . . . . ? C36 C31 C32 C33 2.4(12) . . . . ? P2 C31 C32 C33 177.6(6) . . . . ? C31 C32 C33 C34 -0.5(14) . . . . ? C32 C33 C34 C35 -1.2(16) . . . . ? C33 C34 C35 C36 0.9(17) . . . . ? C34 C35 C36 C31 1.0(15) . . . . ? C32 C31 C36 C35 -2.7(13) . . . . ? P2 C31 C36 C35 -178.0(8) . . . . ? O1 Pt1 P4 C43 -92.8(8) . . . . ? P1 Pt1 P4 C43 66.0(2) . . . . ? Pt2 Pt1 P4 C43 -122.3(2) . . . . ? O1 Pt1 P4 C37 134.8(8) . . . . ? P1 Pt1 P4 C37 -66.4(2) . . . . ? Pt2 Pt1 P4 C37 105.2(2) . . . . ? O1 Pt1 P4 Pt2 29.6(8) . . . . ? P1 Pt1 P4 Pt2 -171.62(5) . . . . ? P3 Pt2 P4 C43 -70.1(3) . . . . ? P2 Pt2 P4 C43 151.6(3) . . . . ? Pt1 Pt2 P4 C43 110.9(3) . . . . ? P3 Pt2 P4 C37 63.5(3) . . . . ? P2 Pt2 P4 C37 -74.8(3) . . . . ? Pt1 Pt2 P4 C37 -115.5(3) . . . . ? P3 Pt2 P4 Pt1 179.00(5) . . . . ? P2 Pt2 P4 Pt1 40.75(14) . . . . ? C43 P4 C37 C38 -154.3(5) . . . . ? Pt1 P4 C37 C38 -21.1(6) . . . . ? Pt2 P4 C37 C38 66.0(5) . . . . ? C43 P4 C37 C42 35.2(6) . . . . ? Pt1 P4 C37 C42 168.4(5) . . . . ? Pt2 P4 C37 C42 -104.5(6) . . . . ? C42 C37 C38 C39 0.5(10) . . . . ? P4 C37 C38 C39 -170.4(6) . . . . ? C37 C38 C39 C40 1.2(11) . . . . ? C38 C39 C40 C41 -3.3(12) . . . . ? C39 C40 C41 C42 3.6(13) . . . . ? C40 C41 C42 C37 -1.8(12) . . . . ? C38 C37 C42 C41 -0.2(10) . . . . ? P4 C37 C42 C41 170.1(6) . . . . ? C37 P4 C43 C48 15.0(7) . . . . ? Pt1 P4 C43 C48 -120.3(5) . . . . ? Pt2 P4 C43 C48 147.3(5) . . . . ? C37 P4 C43 C44 -167.1(5) . . . . ? Pt1 P4 C43 C44 57.7(6) . . . . ? Pt2 P4 C43 C44 -34.8(6) . . . . ? C48 C43 C44 C45 0.2(11) . . . . ? P4 C43 C44 C45 -177.9(7) . . . . ? C43 C44 C45 C46 -2.7(13) . . . . ? C44 C45 C46 C47 3.0(14) . . . . ? C45 C46 C47 C48 -1.0(13) . . . . ? C46 C47 C48 C43 -1.4(12) . . . . ? C44 C43 C48 C47 1.8(10) . . . . ? P4 C43 C48 C47 179.7(6) . . . . ? O1 Pt1 P1 C61 49.0(3) . . . . ? P4 Pt1 P1 C61 -127.3(3) . . . . ? Pt2 Pt1 P1 C61 -142.0(3) . . . . ? O1 Pt1 P1 C55 -70.1(3) . . . . ? P4 Pt1 P1 C55 113.6(2) . . . . ? Pt2 Pt1 P1 C55 98.9(3) . . . . ? O1 Pt1 P1 C49 169.9(3) . . . . ? P4 Pt1 P1 C49 -6.4(3) . . . . ? Pt2 Pt1 P1 C49 -21.0(4) . . . . ? C61 P1 C49 C54 14.3(6) . . . . ? C55 P1 C49 C54 127.0(6) . . . . ? Pt1 P1 C49 C54 -108.4(6) . . . . ? C61 P1 C49 C50 -166.5(5) . . . . ? C55 P1 C49 C50 -53.9(6) . . . . ? Pt1 P1 C49 C50 70.8(6) . . . . ? C54 C49 C50 C51 3.4(11) . . . . ? P1 C49 C50 C51 -175.7(5) . . . . ? C49 C50 C51 C52 -3.3(11) . . . . ? C50 C51 C52 C53 0.5(13) . . . . ? C51 C52 C53 C54 2.3(14) . . . . ? C52 C53 C54 C49 -2.2(13) . . . . ? C50 C49 C54 C53 -0.7(12) . . . . ? P1 C49 C54 C53 178.4(7) . . . . ? C61 P1 C55 C56 70.9(7) . . . . ? C49 P1 C55 C56 -40.1(7) . . . . ? Pt1 P1 C55 C56 -169.3(6) . . . . ? C61 P1 C55 C60 -107.0(6) . . . . ? C49 P1 C55 C60 142.0(6) . . . . ? Pt1 P1 C55 C60 12.8(7) . . . . ? C60 C55 C56 C57 2.5(12) . . . . ? P1 C55 C56 C57 -175.4(6) . . . . ? C55 C56 C57 C58 -1.5(14) . . . . ? C56 C57 C58 C59 -1.1(15) . . . . ? C57 C58 C59 C60 2.6(16) . . . . ? C58 C59 C60 C55 -1.5(15) . . . . ? C56 C55 C60 C59 -1.0(12) . . . . ? P1 C55 C60 C59 177.0(7) . . . . ? C55 P1 C61 C66 176.4(6) . . . . ? C49 P1 C61 C66 -74.6(6) . . . . ? Pt1 P1 C61 C66 54.5(6) . . . . ? C55 P1 C61 C62 -2.8(7) . . . . ? C49 P1 C61 C62 106.3(6) . . . . ? Pt1 P1 C61 C62 -124.6(5) . . . . ? C66 C61 C62 C63 0.8(11) . . . . ? P1 C61 C62 C63 179.9(6) . . . . ? C61 C62 C63 C64 0.1(13) . . . . ? C62 C63 C64 C65 0.1(15) . . . . ? C63 C64 C65 C66 -1.2(15) . . . . ? C62 C61 C66 C65 -1.9(12) . . . . ? P1 C61 C66 C65 178.9(7) . . . . ? C64 C65 C66 C61 2.1(14) . . . . ? O2 P5 O1 Pt1 149.8(4) . . . . ? F2 P5 O1 Pt1 -85.8(4) . . . . ? F1 P5 O1 Pt1 19.8(5) . . . . ? P4 Pt1 O1 P5 42.1(11) . . . . ? P1 Pt1 O1 P5 -117.2(4) . . . . ? Pt2 Pt1 O1 P5 68.4(4) . . . . ? _diffrn_measured_fraction_theta_max 0.994 _diffrn_reflns_theta_full 27.50 _diffrn_measured_fraction_theta_full 0.994 _refine_diff_density_max 1.658 _refine_diff_density_min -2.395 _refine_diff_density_rms 0.284