#------------------------------------------------------------------------------ #$Date: 2012-02-24 17:13:23 +0000 (Fri, 24 Feb 2012) $ #$Revision: 34330 $ #$URL: svn://www.crystallography.net/cod/cif/4/30/08/4300885.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_4300885 loop_ _publ_author_name 'Tyler W. Green' 'Rachel Lieberman' 'Neal Mitchell' 'Jeanette A. Krause Bauer' 'William B. Connick' _publ_contact_author_address ; Department of Chemistry University of Cincinnati Cincinnati, OH 45221-0172 USA ; _publ_contact_author_email bill.connick@uc.edu _publ_contact_author_fax '513 556 9239' _publ_contact_author_name 'Dr. William B. Connick' _publ_contact_author_phone '513 556 0148' _publ_section_title ; Intramolecular Metal...Sulfur Interactions of Platinum(II) 1,4,7-Trithiacyclononane Complexes with Bipyridyl Ligands: The Relationship between Molecular and Electronic Structures ; _journal_name_full 'Inorganic Chemistry' _journal_page_first 1955 _journal_page_last 1965 _journal_volume 44 _journal_year 2005 _chemical_formula_sum 'C20 H29 F12 N3 O P2 Pt S3' _chemical_formula_weight 908.67 _chemical_name_systematic ; 4,4'-dimethylbipyridine-(1,4,7-trithiacyclononane)platinum(II) bis(hexafluorophosphate) hydrate acetonitrile solvate ; _space_group_IT_number 2 _symmetry_cell_setting triclinic _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary Patterson _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-97 _cell_angle_alpha 77.345(1) _cell_angle_beta 79.967(1) _cell_angle_gamma 72.341(1) _cell_formula_units_Z 2 _cell_length_a 10.1895(3) _cell_length_b 11.8566(4) _cell_length_c 13.1004(4) _cell_measurement_reflns_used 6666 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 26.37 _cell_measurement_theta_min 2.21 _cell_volume 1461.56(8) _computing_cell_refinement 'Bruker SAINT v6.28A' _computing_data_collection 'Bruker SMART v5.628' _computing_data_reduction 'Bruker SAINT v6.28A' _computing_molecular_graphics 'Bruker SHELXTL v6.12 and Crystal Impact DIAMOND v2.1e (1997)' _computing_publication_material 'Bruker SHELXTL v6.12' _computing_structure_refinement 'Bruker SHELXTL v6.12' _computing_structure_solution 'Bruker SHELXTL v6.12' _diffrn_ambient_temperature 100(2) _diffrn_detector_area_resol_mean 0.80 _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.998 _diffrn_measurement_device_type 'SMART6000 CCD' _diffrn_measurement_method '\w scans' _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0260 _diffrn_reflns_av_sigmaI/netI 0.0277 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_number 17480 _diffrn_reflns_theta_full 26.37 _diffrn_reflns_theta_max 26.37 _diffrn_reflns_theta_min 1.60 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 5.224 _exptl_absorpt_correction_T_max 0.8183 _exptl_absorpt_correction_T_min 0.5079 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS (Sheldrick)' _exptl_crystal_colour yellow _exptl_crystal_density_diffrn 2.065 _exptl_crystal_density_meas 'not measured' _exptl_crystal_description 'rectangular block' _exptl_crystal_F_000 884 _exptl_crystal_size_max 0.15 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.04 _refine_diff_density_max 2.044 _refine_diff_density_min -1.701 _refine_diff_density_rms 0.126 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.049 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 406 _refine_ls_number_reflns 5978 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.049 _refine_ls_R_factor_all 0.0269 _refine_ls_R_factor_gt 0.0249 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0373P)^2^+3.0867P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0638 _refine_ls_wR_factor_ref 0.0650 _reflns_number_gt 5649 _reflns_number_total 5978 _reflns_threshold_expression >2\s(I) _[local]_cod_data_source_file ic048610dsi20041005_061131_3.cif _[local]_cod_data_source_block 2 _cod_depositor_comments ; The following automatic conversions were performed: '_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic' according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29. Automatic conversion script Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius ; _cod_database_code 4300885 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' 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 Pt Pt 0.761123(12) 0.501449(11) 0.632827(10) 0.01206(5) Uani 1 1 d . . . N1 N 0.8794(3) 0.3295(3) 0.6248(2) 0.0140(6) Uani 1 1 d . . . C1 C 0.9131(4) 0.2403(3) 0.7083(3) 0.0175(7) Uani 1 1 d . . . H1 H 0.8731 0.2546 0.7770 0.021 Uiso 1 1 calc R . . C2 C 1.0036(4) 0.1293(3) 0.6968(3) 0.0216(8) Uani 1 1 d . . . H2 H 1.0255 0.0691 0.7571 0.026 Uiso 1 1 calc R . . C3 C 1.0626(4) 0.1056(3) 0.5973(3) 0.0200(8) Uani 1 1 d . . . C4 C 1.0258(4) 0.1976(3) 0.5116(3) 0.0182(7) Uani 1 1 d . . . H4 H 1.0627 0.1842 0.4421 0.022 Uiso 1 1 calc R . . C5 C 0.9360(4) 0.3079(3) 0.5271(3) 0.0137(7) Uani 1 1 d . . . N2 N 0.8286(3) 0.5177(3) 0.4741(2) 0.0141(6) Uani 1 1 d . . . C6 C 0.9001(3) 0.4120(3) 0.4415(3) 0.0135(7) Uani 1 1 d . . . C7 C 0.9392(4) 0.4055(3) 0.3358(3) 0.0151(7) Uani 1 1 d . . . H7 H 0.9861 0.3300 0.3153 0.018 Uiso 1 1 calc R . . C8 C 0.9100(4) 0.5094(3) 0.2590(3) 0.0165(7) Uani 1 1 d . . . C9 C 0.8386(4) 0.6170(3) 0.2945(3) 0.0173(7) Uani 1 1 d . . . H9 H 0.8175 0.6899 0.2451 0.021 Uiso 1 1 calc R . . C10 C 0.7984(4) 0.6184(3) 0.4004(3) 0.0152(7) Uani 1 1 d . . . H10 H 0.7479 0.6924 0.4223 0.018 Uiso 1 1 calc R . . S2 S 0.66097(9) 0.69986(8) 0.63750(7) 0.01627(18) Uani 1 1 d . . . C13 C 0.4709(4) 0.7315(4) 0.6464(3) 0.0246(8) Uani 1 1 d . . . H13A H 0.4337 0.7222 0.7218 0.030 Uiso 1 1 calc R . . H13B H 0.4329 0.8168 0.6145 0.030 Uiso 1 1 calc R . . C14 C 0.4171(4) 0.6556(4) 0.5953(4) 0.0261(9) Uani 1 1 d . . . H14A H 0.4412 0.6760 0.5183 0.031 Uiso 1 1 calc R . . H14B H 0.3147 0.6805 0.6092 0.031 Uiso 1 1 calc R . . S3 S 0.47385(9) 0.49401(9) 0.63192(7) 0.01830(18) Uani 1 1 d . . . C15 C 0.4384(4) 0.4650(4) 0.7744(3) 0.0187(7) Uani 1 1 d . . . H15A H 0.3970 0.5428 0.7990 0.022 Uiso 1 1 calc R . . H15B H 0.3688 0.4187 0.7943 0.022 Uiso 1 1 calc R . . C16 C 0.5653(4) 0.3959(3) 0.8313(3) 0.0173(7) Uani 1 1 d . . . H16A H 0.6011 0.3157 0.8107 0.021 Uiso 1 1 calc R . . H16B H 0.5344 0.3832 0.9079 0.021 Uiso 1 1 calc R . . S1 S 0.70873(9) 0.46286(8) 0.80951(7) 0.01455(17) Uani 1 1 d . . . C11 C 0.6282(4) 0.6073(3) 0.8523(3) 0.0200(8) Uani 1 1 d . . . H11A H 0.5260 0.6237 0.8602 0.024 Uiso 1 1 calc R . . H11B H 0.6562 0.6041 0.9217 0.024 Uiso 1 1 calc R . . C12 C 0.6710(4) 0.7082(4) 0.7730(3) 0.0208(8) Uani 1 1 d . . . H12A H 0.7673 0.7046 0.7805 0.025 Uiso 1 1 calc R . . H12B H 0.6102 0.7864 0.7890 0.025 Uiso 1 1 calc R . . C17 C 1.1655(5) -0.0124(4) 0.5826(4) 0.0305(10) Uani 1 1 d . . . H17A H 1.1497 -0.0749 0.6422 0.046 Uiso 1 1 calc R . . H17B H 1.2597 -0.0055 0.5789 0.046 Uiso 1 1 calc R . . H17C H 1.1544 -0.0338 0.5171 0.046 Uiso 1 1 calc R . . C18 C 0.9530(4) 0.5050(4) 0.1441(3) 0.0208(8) Uani 1 1 d . . . H18A H 1.0259 0.5458 0.1180 0.031 Uiso 1 1 calc R . . H18B H 0.8728 0.5453 0.1049 0.031 Uiso 1 1 calc R . . H18C H 0.9882 0.4210 0.1343 0.031 Uiso 1 1 calc R . . O19W O 1.1014(3) 0.1379(3) 1.2637(3) 0.0383(8) Uani 1 1 d . . . H19A H 1.1855 0.0814 1.2554 0.057 Uiso 1 1 d . . . H19B H 1.0502 0.1321 1.2028 0.057 Uiso 1 1 d . . . N20S N 0.3161(5) 0.2598(4) 0.9753(3) 0.0383(9) Uani 1 1 d . . . C21S C 0.2981(5) 0.1690(4) 0.9779(3) 0.0272(9) Uani 1 1 d . . . C22S C 0.2730(6) 0.0541(4) 0.9811(4) 0.0360(11) Uani 1 1 d . . . H22A H 0.3188 0.0230 0.9167 0.054 Uiso 1 1 calc R . . H22B H 0.1730 0.0647 0.9863 0.054 Uiso 1 1 calc R . . H22C H 0.3103 -0.0029 1.0425 0.054 Uiso 1 1 calc R . . P1 P 0.81596(10) 0.22970(9) 1.07581(7) 0.01793(19) Uani 1 1 d . . . F11 F 0.8230(3) 0.2610(2) 1.18848(19) 0.0309(6) Uani 1 1 d . . . F12 F 0.8057(3) 0.2002(2) 0.96469(19) 0.0329(6) Uani 1 1 d . . . F13 F 0.7183(3) 0.3644(2) 1.04501(19) 0.0320(6) Uani 1 1 d . . . F14 F 0.9116(3) 0.0961(2) 1.1087(2) 0.0343(6) Uani 1 1 d . . . F15 F 0.6812(3) 0.1862(2) 1.1256(2) 0.0362(6) Uani 1 1 d . . . F16 F 0.9494(3) 0.2745(3) 1.0271(2) 0.0424(7) Uani 1 1 d . . . P2 P 1.46037(15) -0.08853(10) 1.31386(9) 0.0344(3) Uani 1 1 d . . . F21 F 1.5276(4) -0.1465(3) 1.4210(2) 0.0567(9) Uani 1 1 d . A . F22 F 1.5342(4) -0.2056(3) 1.2697(3) 0.0658(11) Uani 1 1 d . A . F23 F 1.3351(4) -0.1460(5) 1.3677(4) 0.0962(17) Uani 1 1 d . A . F24A F 1.5640(7) -0.0162(6) 1.2646(5) 0.0655(16) Uani 0.65 1 d P A 1 F25A F 1.3693(7) 0.0262(4) 1.3664(4) 0.0607(16) Uani 0.70 1 d P . 1 F26A F 1.3779(7) -0.0351(6) 1.2127(4) 0.079(2) Uani 0.74 1 d P . 1 F24B F 1.6382(11) -0.0907(11) 1.2796(8) 0.054(2) Uani 0.35 1 d P A 2 F25B F 1.4535(14) 0.0161(19) 1.3587(16) 0.108(9) Uani 0.30 1 d P A 2 F26B F 1.4602(12) -0.0136(13) 1.1974(10) 0.049(4) Uani 0.26 1 d P A 2 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Pt 0.01315(8) 0.01023(8) 0.01202(8) -0.00008(5) -0.00192(5) -0.00315(5) N1 0.0149(14) 0.0110(14) 0.0153(15) -0.0001(11) -0.0013(11) -0.0041(11) C1 0.0193(17) 0.0156(18) 0.0142(17) 0.0021(14) 0.0003(14) -0.0044(14) C2 0.0237(19) 0.0166(18) 0.0209(19) 0.0031(15) -0.0033(15) -0.0043(15) C3 0.0191(18) 0.0139(18) 0.024(2) -0.0017(15) -0.0002(15) -0.0028(14) C4 0.0193(17) 0.0180(18) 0.0160(17) -0.0016(14) -0.0007(14) -0.0050(14) C5 0.0150(16) 0.0146(17) 0.0122(16) -0.0002(13) -0.0007(13) -0.0068(13) N2 0.0127(13) 0.0151(15) 0.0156(14) -0.0020(12) -0.0023(11) -0.0053(11) C6 0.0126(15) 0.0116(16) 0.0156(17) 0.0011(13) -0.0035(13) -0.0038(13) C7 0.0140(16) 0.0169(18) 0.0139(17) -0.0010(14) -0.0006(13) -0.0052(13) C8 0.0142(16) 0.0217(19) 0.0147(17) 0.0011(14) -0.0025(13) -0.0089(14) C9 0.0175(17) 0.0172(18) 0.0170(18) 0.0035(14) -0.0045(14) -0.0075(14) C10 0.0165(16) 0.0124(17) 0.0171(17) 0.0016(13) -0.0051(13) -0.0058(13) S2 0.0180(4) 0.0119(4) 0.0185(4) -0.0022(3) -0.0028(3) -0.0036(3) C13 0.0207(19) 0.021(2) 0.029(2) -0.0052(17) -0.0049(16) -0.0002(15) C14 0.0222(19) 0.022(2) 0.032(2) 0.0041(17) -0.0093(17) -0.0064(16) S3 0.0206(4) 0.0216(5) 0.0142(4) 0.0011(3) -0.0042(3) -0.0099(4) C15 0.0177(17) 0.025(2) 0.0148(17) -0.0033(15) 0.0002(14) -0.0090(15) C16 0.0214(18) 0.0189(18) 0.0137(17) 0.0003(14) -0.0005(14) -0.0118(15) S1 0.0157(4) 0.0153(4) 0.0128(4) -0.0015(3) -0.0020(3) -0.0049(3) C11 0.0272(19) 0.0180(19) 0.0166(18) -0.0075(15) 0.0012(15) -0.0077(15) C12 0.0253(19) 0.0190(19) 0.0204(19) -0.0065(15) 0.0001(15) -0.0090(15) C17 0.034(2) 0.015(2) 0.031(2) -0.0002(17) 0.0010(18) 0.0038(17) C18 0.0230(19) 0.025(2) 0.0139(17) 0.0004(15) -0.0016(14) -0.0093(16) O19W 0.0363(18) 0.0365(19) 0.043(2) -0.0133(16) -0.0051(15) -0.0073(14) N20S 0.054(3) 0.036(2) 0.032(2) -0.0067(18) -0.0081(19) -0.020(2) C21S 0.038(2) 0.028(2) 0.0185(19) -0.0043(17) -0.0019(17) -0.0138(18) C22S 0.054(3) 0.028(2) 0.031(2) -0.0069(19) -0.002(2) -0.020(2) P1 0.0216(5) 0.0154(5) 0.0138(4) 0.0015(4) -0.0009(4) -0.0042(4) F11 0.0428(15) 0.0303(14) 0.0214(12) -0.0025(10) -0.0113(11) -0.0099(11) F12 0.0539(16) 0.0221(13) 0.0171(12) -0.0043(10) -0.0051(11) -0.0010(11) F13 0.0484(15) 0.0178(12) 0.0217(12) -0.0047(10) -0.0068(11) 0.0050(11) F14 0.0410(15) 0.0186(12) 0.0313(14) 0.0063(10) -0.0081(11) 0.0037(11) F15 0.0312(14) 0.0377(15) 0.0455(16) -0.0175(13) 0.0124(12) -0.0200(12) F16 0.0358(15) 0.0365(16) 0.0535(18) -0.0085(13) 0.0181(13) -0.0204(12) P2 0.0614(8) 0.0179(5) 0.0209(5) -0.0011(4) -0.0063(5) -0.0072(5) F21 0.067(2) 0.059(2) 0.0335(16) -0.0015(15) -0.0147(15) -0.0004(17) F22 0.065(2) 0.049(2) 0.069(2) -0.0252(18) -0.0193(19) 0.0220(17) F23 0.046(2) 0.156(5) 0.114(4) -0.067(4) 0.002(2) -0.044(3) F24A 0.079(4) 0.064(4) 0.052(3) 0.007(3) 0.014(3) -0.041(4) F25A 0.097(5) 0.022(2) 0.038(3) -0.0082(19) 0.000(3) 0.017(3) F26A 0.090(4) 0.087(4) 0.027(3) -0.012(3) -0.033(3) 0.039(4) F24B 0.052(6) 0.055(7) 0.056(6) 0.002(5) 0.000(5) -0.027(5) F25B 0.036(7) 0.160(18) 0.157(17) -0.142(16) -0.010(9) 0.011(9) F26B 0.019(5) 0.059(8) 0.033(7) 0.025(5) 0.002(5) 0.016(6) 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' N N 0.0061 0.0033 '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' S S 0.1246 0.1234 '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' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag N1 Pt N2 79.40(12) . . ? N1 Pt S1 93.96(9) . . ? N2 Pt S1 173.00(9) . . ? N1 Pt S2 171.23(8) . . ? N2 Pt S2 97.81(9) . . ? S1 Pt S2 88.43(3) . . ? C5 N1 C1 118.5(3) . . ? C5 N1 Pt 115.7(2) . . ? C1 N1 Pt 125.7(2) . . ? N1 C1 C2 122.2(3) . . ? C1 C2 C3 120.2(4) . . ? C2 C3 C4 117.3(3) . . ? C2 C3 C17 121.4(4) . . ? C4 C3 C17 121.3(4) . . ? C5 C4 C3 120.5(3) . . ? N1 C5 C4 121.4(3) . . ? N1 C5 C6 114.8(3) . . ? C4 C5 C6 123.7(3) . . ? C10 N2 C6 118.4(3) . . ? C10 N2 Pt 126.8(3) . . ? C6 N2 Pt 114.5(2) . . ? N2 C6 C7 121.7(3) . . ? N2 C6 C5 114.9(3) . . ? C7 C6 C5 123.4(3) . . ? C6 C7 C8 120.4(3) . . ? C9 C8 C7 116.8(3) . . ? C9 C8 C18 121.8(3) . . ? C7 C8 C18 121.4(3) . . ? C10 C9 C8 120.7(3) . . ? N2 C10 C9 122.1(3) . . ? C12 S2 C13 97.68(19) . . ? C12 S2 Pt 102.28(13) . . ? C13 S2 Pt 109.39(13) . . ? C14 C13 S2 116.8(3) . . ? C13 C14 S3 119.2(3) . . ? C14 S3 C15 104.7(2) . . ? C16 C15 S3 114.4(3) . . ? C15 C16 S1 117.5(3) . . ? C16 S1 C11 102.80(18) . . ? C16 S1 Pt 105.38(12) . . ? C11 S1 Pt 107.17(13) . . ? C12 C11 S1 110.8(3) . . ? C11 C12 S2 112.7(3) . . ? N20S C21S C22S 179.1(5) . . ? F16 P1 F15 179.21(16) . . ? F16 P1 F12 90.28(16) . . ? F15 P1 F12 90.32(15) . . ? F16 P1 F14 90.49(16) . . ? F15 P1 F14 90.02(15) . . ? F12 P1 F14 90.28(14) . . ? F16 P1 F13 90.10(16) . . ? F15 P1 F13 89.37(15) . . ? F12 P1 F13 90.67(13) . . ? F14 P1 F13 178.87(15) . . ? F16 P1 F11 90.48(16) . . ? F15 P1 F11 88.92(14) . . ? F12 P1 F11 178.85(15) . . ? F14 P1 F11 90.58(14) . . ? F13 P1 F11 88.46(14) . . ? F25B P2 F22 155.1(6) . . ? F24A P2 F22 99.1(3) . . ? F25B P2 F26B 92.4(11) . . ? F22 P2 F26B 89.9(6) . . ? F25B P2 F21 76.6(9) . . ? F24A P2 F21 96.4(3) . . ? F22 P2 F21 90.3(2) . . ? F26B P2 F21 152.6(6) . . ? F24A P2 F26A 89.8(4) . . ? F22 P2 F26A 90.3(3) . . ? F21 P2 F26A 173.6(4) . . ? F25B P2 F23 111.0(8) . . ? F24A P2 F23 171.6(4) . . ? F22 P2 F23 88.8(3) . . ? F26B P2 F23 121.0(6) . . ? F21 P2 F23 86.3(2) . . ? F26A P2 F23 87.3(4) . . ? F24A P2 F25A 87.5(4) . . ? F22 P2 F25A 173.3(3) . . ? F21 P2 F25A 89.1(2) . . ? F26A P2 F25A 89.6(3) . . ? F23 P2 F25A 84.5(3) . . ? F25B P2 F24B 82.8(7) . . ? F22 P2 F24B 73.4(4) . . ? F26B P2 F24B 78.0(6) . . ? F21 P2 F24B 75.9(4) . . ? F23 P2 F24B 154.5(4) . . ? 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 N1 2.044(3) . ? Pt N2 2.060(3) . ? Pt S1 2.2595(9) . ? Pt S2 2.2725(9) . ? N1 C5 1.354(5) . ? N1 C1 1.356(5) . ? C1 C2 1.381(5) . ? C2 C3 1.386(6) . ? C3 C4 1.398(5) . ? C3 C17 1.501(5) . ? C4 C5 1.384(5) . ? C5 C6 1.475(5) . ? N2 C10 1.351(5) . ? N2 C6 1.363(5) . ? C6 C7 1.385(5) . ? C7 C8 1.400(5) . ? C8 C9 1.397(5) . ? C8 C18 1.500(5) . ? C9 C10 1.379(5) . ? S2 C12 1.822(4) . ? S2 C13 1.845(4) . ? C13 C14 1.500(6) . ? C14 S3 1.804(4) . ? S3 C15 1.814(4) . ? C15 C16 1.524(5) . ? C16 S1 1.818(4) . ? S1 C11 1.824(4) . ? C11 C12 1.521(5) . ? N20S C21S 1.138(6) . ? C21S C22S 1.451(6) . ? P1 F16 1.589(3) . ? P1 F15 1.596(3) . ? P1 F12 1.597(3) . ? P1 F14 1.599(2) . ? P1 F13 1.611(2) . ? P1 F11 1.617(3) . ? P2 F25B 1.464(15) . ? P2 F24A 1.528(6) . ? P2 F22 1.548(3) . ? P2 F26B 1.588(11) . ? P2 F21 1.594(3) . ? P2 F26A 1.600(5) . ? P2 F23 1.610(5) . ? P2 F25A 1.615(5) . ? P2 F24B 1.783(10) . ?