data_mo_20121221g_0m _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C40 H40 F3 N3 O3 Pt S' _chemical_formula_sum 'C40 H40 F3 N3 O3 Pt S' _chemical_formula_weight 894.90 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' 'O' 'O' 0.0106 0.0060 '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' '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' _symmetry_cell_setting 'Monoclinic' _symmetry_space_group_name_H-M 'C2/c ' _symmetry_space_group_name_Hall '-C 2yc' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 19.598(6) _cell_length_b 18.956(6) _cell_length_c 10.500(3) _cell_angle_alpha 90.00 _cell_angle_beta 115.869(4) _cell_angle_gamma 90.00 _cell_volume 3509.9(19) _cell_formula_units_Z 4 _cell_measurement_temperature 296(2) _cell_measurement_reflns_used 8641 _cell_measurement_theta_min 2.2275 _cell_measurement_theta_max 27.251 _exptl_crystal_description rod _exptl_crystal_colour yellow _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.694 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1784 _exptl_absorpt_coefficient_mu 4.117 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.4931 _exptl_absorpt_correction_T_max 0.6836 _exptl_absorpt_process_details 'SADABS,Bruker,2000' _exptl_special_details ; ? ; _diffrn_ambient_temperature 296(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 'Bruker Smart Aepex CCD' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 11475 _diffrn_reflns_av_R_equivalents 0.0586 _diffrn_reflns_av_sigmaI/netI 0.0542 _diffrn_reflns_limit_h_min -22 _diffrn_reflns_limit_h_max 23 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_l_min -12 _diffrn_reflns_limit_l_max 10 _diffrn_reflns_theta_min 1.58 _diffrn_reflns_theta_max 24.99 _reflns_number_total 3075 _reflns_number_gt 2867 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'SMART,(Bruker,2000)' _computing_cell_refinement 'SMART' _computing_data_reduction 'SAINT(Bruker,2000)' _computing_structure_solution 'SHELXTL(Bruker,2000) ' _computing_structure_refinement 'SHELXTL' _computing_molecular_graphics 'SHELXTL' _computing_publication_material 'SHELXTL' _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^)+(0.1120P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 3075 _refine_ls_number_parameters 264 _refine_ls_number_restraints 52 _refine_ls_R_factor_all 0.0470 _refine_ls_R_factor_gt 0.0450 _refine_ls_wR_factor_ref 0.1379 _refine_ls_wR_factor_gt 0.1366 _refine_ls_goodness_of_fit_ref 1.046 _refine_ls_restrained_S_all 1.057 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Pt1 Pt 0.0000 0.077140(14) 0.7500 0.03233(19) Uani 1 2 d S . . C1 C 0.0000 -0.0263(5) 0.7500 0.0342(19) Uani 1 2 d S . . C2 C 0.0000 0.1845(5) 0.7500 0.041(2) Uani 1 2 d S . . C3 C 0.0000 -0.1683(5) 0.7500 0.042(2) Uani 1 2 d S . . H3 H 0.0000 -0.2173 0.7500 0.050 Uiso 1 2 calc SR . . C4 C 0.0430(4) -0.1338(3) 0.6956(7) 0.0411(15) Uani 1 1 d . . . H4 H 0.0709 -0.1591 0.6587 0.049 Uiso 1 1 calc R . . C5 C 0.0443(4) -0.0602(4) 0.6964(7) 0.0362(14) Uani 1 1 d . . . C6 C 0.0890(3) -0.0115(3) 0.6546(6) 0.0346(12) Uani 1 1 d . . . C7 C 0.1441(3) -0.0304(3) 0.6100(6) 0.0378(13) Uani 1 1 d . . . H7 H 0.1506 -0.0775 0.5936 0.045 Uiso 1 1 calc R . . C8 C 0.1890(4) 0.0205(4) 0.5902(7) 0.0401(14) Uani 1 1 d . . . C9 C 0.1782(5) 0.0908(4) 0.6149(9) 0.0425(16) Uani 1 1 d . . . C10 C 0.1227(3) 0.1071(3) 0.6551(7) 0.0364(13) Uani 1 1 d . . . H10 H 0.1153 0.1543 0.6700 0.044 Uiso 1 1 calc R . . C11 C 0.2536(5) 0.0030(5) 0.5521(9) 0.0543(19) Uani 1 1 d . . . H11A H 0.2884 -0.0294 0.6216 0.065 Uiso 1 1 calc R . . H11B H 0.2334 -0.0200 0.4604 0.065 Uiso 1 1 calc R . . C12 C 0.2958(6) 0.0689(4) 0.5476(10) 0.050(2) Uani 1 1 d . . . H12 H 0.3380 0.0612 0.5230 0.060 Uiso 1 1 calc R . . C13 C 0.2379(5) 0.1256(5) 0.4578(9) 0.059(2) Uani 1 1 d . . . H13A H 0.1921 0.1067 0.3824 0.070 Uiso 1 1 calc R . . H13B H 0.2594 0.1631 0.4238 0.070 Uiso 1 1 calc R . . C14 C 0.2303(4) 0.1441(4) 0.5974(8) 0.0449(16) Uani 1 1 d . . . H14 H 0.2212 0.1937 0.6114 0.054 Uiso 1 1 calc R . . C15 C 0.3149(4) 0.1163(4) 0.6815(7) 0.0428(15) Uani 1 1 d . . . C16 C 0.3713(4) 0.1756(4) 0.6973(10) 0.061(2) Uani 1 1 d . . . H16A H 0.3694 0.2105 0.7620 0.091 Uiso 1 1 calc R . . H16B H 0.3581 0.1970 0.6067 0.091 Uiso 1 1 calc R . . H16C H 0.4216 0.1565 0.7330 0.091 Uiso 1 1 calc R . . C17 C 0.3378(6) 0.0813(4) 0.8246(10) 0.054(2) Uani 1 1 d . . . H17A H 0.3898 0.0665 0.8619 0.081 Uiso 1 1 calc R . . H17B H 0.3061 0.0410 0.8138 0.081 Uiso 1 1 calc R . . H17C H 0.3321 0.1143 0.8886 0.081 Uiso 1 1 calc R . . C18 C 0.0000 0.3169(5) 0.7500 0.045(2) Uani 1 2 d S . . C19 C 0.0264(5) 0.3528(4) 0.6638(8) 0.0522(17) Uani 1 1 d . . . C20 C 0.0249(9) 0.4265(5) 0.6663(15) 0.082(4) Uani 1 1 d . . . H20 H 0.0414 0.4517 0.6089 0.098 Uiso 1 1 calc R . . C21 C 0.0000 0.4628(6) 0.7500 0.080(4) Uani 1 2 d S . . H21 H 0.0000 0.5119 0.7500 0.096 Uiso 1 2 calc SR . . C22 C 0.0520(7) 0.3129(6) 0.5723(12) 0.094(3) Uani 1 1 d . . . H22A H 0.0996 0.2904 0.6295 0.141 Uiso 1 1 calc R . . H22B H 0.0583 0.3445 0.5068 0.141 Uiso 1 1 calc R . . H22C H 0.0150 0.2777 0.5208 0.141 Uiso 1 1 calc R . . C23 C 0.2710(4) 0.7210(3) 0.4616(5) 0.0940(15) Uani 0.50 1 d PDU . . F1 F 0.280(2) 0.6562(17) 0.540(4) 0.154(6) Uani 0.50 1 d PU . . O2 O 0.3375(6) 0.7442(10) 0.481(2) 0.136(6) Uani 0.50 1 d PDU . . F3 F 0.2216(14) 0.7013(14) 0.3388(15) 0.172(6) Uani 0.50 1 d PDU . . N1 N 0.0780(3) 0.0582(3) 0.6743(5) 0.0336(11) Uani 1 1 d . . . N2 N 0.0000 0.2445(4) 0.7500 0.0425(17) Uani 1 2 d S . . O1 O 0.1993(18) 0.6693(14) 0.436(3) 0.165(5) Uani 0.50 1 d PU . . F2 F 0.2499(17) 0.7336(14) 0.3296(9) 0.171(5) Uani 0.50 1 d PDU . . O3 O 0.307(2) 0.6722(19) 0.563(5) 0.154(6) Uani 0.50 1 d PU . . S1 S 0.2710(4) 0.7210(3) 0.4616(5) 0.0940(15) Uani 0.50 1 d PDU . . 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 0.0323(3) 0.0248(3) 0.0470(3) 0.000 0.02379(19) 0.000 C1 0.032(4) 0.026(4) 0.046(5) 0.000 0.019(4) 0.000 C2 0.040(5) 0.028(5) 0.069(6) 0.000 0.037(5) 0.000 C3 0.052(6) 0.023(5) 0.053(6) 0.000 0.024(5) 0.000 C4 0.041(3) 0.033(3) 0.055(4) -0.005(3) 0.027(3) 0.005(3) C5 0.033(3) 0.032(3) 0.044(4) -0.001(3) 0.018(3) 0.003(3) C6 0.037(3) 0.038(3) 0.032(3) 0.000(2) 0.018(2) 0.001(3) C7 0.040(3) 0.035(3) 0.043(3) -0.005(3) 0.023(3) 0.000(3) C8 0.044(4) 0.037(4) 0.050(4) -0.009(3) 0.032(3) -0.004(3) C9 0.046(4) 0.036(3) 0.056(4) -0.003(3) 0.032(4) -0.004(3) C10 0.038(3) 0.031(3) 0.046(3) 0.001(3) 0.024(3) -0.002(3) C11 0.054(4) 0.061(5) 0.065(5) -0.019(4) 0.042(4) -0.008(4) C12 0.054(5) 0.059(5) 0.052(5) -0.013(3) 0.038(4) -0.011(3) C13 0.065(5) 0.069(6) 0.053(4) 0.015(4) 0.037(4) -0.009(4) C14 0.042(4) 0.046(4) 0.057(4) 0.001(3) 0.031(3) -0.003(3) C15 0.041(3) 0.047(4) 0.054(4) -0.007(3) 0.032(3) -0.005(3) C16 0.051(4) 0.056(5) 0.090(6) -0.011(4) 0.045(4) -0.014(3) C17 0.051(5) 0.062(6) 0.049(5) -0.001(3) 0.022(4) 0.004(3) C18 0.047(6) 0.029(5) 0.059(6) 0.000 0.023(5) 0.000 C19 0.060(4) 0.044(4) 0.054(4) 0.007(3) 0.027(4) -0.002(3) C20 0.093(9) 0.060(7) 0.083(8) 0.025(4) 0.030(7) -0.019(4) C21 0.101(10) 0.025(5) 0.111(11) 0.000 0.044(9) 0.000 C22 0.127(9) 0.100(8) 0.092(8) 0.006(6) 0.081(7) -0.012(7) C23 0.131(4) 0.073(3) 0.084(3) 0.018(2) 0.053(3) 0.010(3) F1 0.200(14) 0.088(11) 0.159(10) 0.021(9) 0.064(10) -0.014(9) O2 0.118(8) 0.172(18) 0.170(13) 0.065(14) 0.111(8) 0.061(9) F3 0.243(13) 0.153(13) 0.119(8) -0.016(8) 0.076(9) -0.045(9) N1 0.037(3) 0.035(2) 0.034(3) 0.003(2) 0.020(2) -0.003(2) N2 0.046(4) 0.033(5) 0.051(4) 0.000 0.023(4) 0.000 O1 0.208(12) 0.125(11) 0.153(10) 0.006(8) 0.069(10) -0.049(8) F2 0.264(14) 0.178(15) 0.088(5) -0.007(7) 0.093(8) -0.042(10) O3 0.201(15) 0.075(13) 0.163(11) 0.038(9) 0.057(11) 0.017(10) S1 0.131(4) 0.073(3) 0.084(3) 0.018(2) 0.053(3) 0.010(3) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Pt1 C1 1.960(10) . ? Pt1 C2 2.035(10) . ? Pt1 N1 2.039(5) 2_556 ? Pt1 N1 2.039(5) . ? C1 C5 1.383(8) . ? C1 C5 1.383(8) 2_556 ? C2 N2 1.138(13) . ? C3 C4 1.373(8) . ? C3 C4 1.373(8) 2_556 ? C3 H3 0.9300 . ? C4 C5 1.395(9) . ? C4 H4 0.9300 . ? C5 C6 1.465(9) . ? C6 N1 1.369(8) . ? C6 C7 1.398(8) . ? C7 C8 1.379(9) . ? C7 H7 0.9300 . ? C8 C9 1.392(9) . ? C8 C11 1.521(9) . ? C9 C10 1.361(10) . ? C9 C14 1.503(10) . ? C10 N1 1.351(9) . ? C10 H10 0.9300 . ? C11 C12 1.510(12) . ? C11 H11A 0.9700 . ? C11 H11B 0.9700 . ? C12 C13 1.549(13) . ? C12 C15 1.569(10) . ? C12 H12 0.9800 . ? C13 C14 1.577(11) . ? C13 H13A 0.9700 . ? C13 H13B 0.9700 . ? C14 C15 1.591(10) . ? C14 H14 0.9800 . ? C15 C17 1.521(11) . ? C15 C16 1.533(9) . ? C16 H16A 0.9600 . ? C16 H16B 0.9600 . ? C16 H16C 0.9600 . ? C17 H17A 0.9600 . ? C17 H17B 0.9600 . ? C17 H17C 0.9600 . ? C18 N2 1.372(13) . ? C18 C19 1.399(9) . ? C18 C19 1.399(9) 2_556 ? C19 C20 1.399(11) . ? C19 C22 1.473(13) . ? C20 C21 1.363(16) . ? C20 H20 0.9300 . ? C21 C20 1.363(16) 2_556 ? C21 H21 0.9300 . ? C22 H22A 0.9600 . ? C22 H22B 0.9600 . ? C22 H22C 0.9600 . ? C23 F2 1.284(5) . ? C23 F3 1.285(5) . ? C23 O2 1.304(5) . ? C23 O3 1.35(4) . ? C23 F1 1.44(3) . ? C23 O1 1.64(3) . ? C23 S1 1.765(11) 7_566 ? C23 C23 1.765(11) 7_566 ? F1 O3 0.56(5) . ? F1 O1 1.50(5) . ? O2 F2 1.77(3) . ? F3 F2 0.86(3) . ? F3 O1 1.41(3) . ? 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 C2 180.000(1) . . ? C1 Pt1 N1 79.84(16) . 2_556 ? C2 Pt1 N1 100.16(16) . 2_556 ? C1 Pt1 N1 79.84(16) . . ? C2 Pt1 N1 100.16(16) . . ? N1 Pt1 N1 159.7(3) 2_556 . ? C5 C1 C5 124.6(9) . 2_556 ? C5 C1 Pt1 117.7(5) . . ? C5 C1 Pt1 117.7(5) 2_556 . ? N2 C2 Pt1 180.000(1) . . ? C4 C3 C4 123.1(9) . 2_556 ? C4 C3 H3 118.4 . . ? C4 C3 H3 118.4 2_556 . ? C3 C4 C5 119.1(6) . . ? C3 C4 H4 120.4 . . ? C5 C4 H4 120.4 . . ? C1 C5 C4 117.0(7) . . ? C1 C5 C6 113.2(6) . . ? C4 C5 C6 129.8(6) . . ? N1 C6 C7 119.5(6) . . ? N1 C6 C5 114.1(5) . . ? C7 C6 C5 126.2(6) . . ? C8 C7 C6 120.5(6) . . ? C8 C7 H7 119.7 . . ? C6 C7 H7 119.7 . . ? C7 C8 C9 118.8(6) . . ? C7 C8 C11 123.1(6) . . ? C9 C8 C11 117.9(6) . . ? C10 C9 C8 118.8(7) . . ? C10 C9 C14 124.2(7) . . ? C8 C9 C14 117.0(6) . . ? N1 C10 C9 123.2(6) . . ? N1 C10 H10 118.4 . . ? C9 C10 H10 118.4 . . ? C12 C11 C8 111.0(7) . . ? C12 C11 H11A 109.4 . . ? C8 C11 H11A 109.4 . . ? C12 C11 H11B 109.4 . . ? C8 C11 H11B 109.4 . . ? H11A C11 H11B 108.0 . . ? C11 C12 C13 109.1(8) . . ? C11 C12 C15 111.4(6) . . ? C13 C12 C15 88.5(6) . . ? C11 C12 H12 115.0 . . ? C13 C12 H12 115.0 . . ? C15 C12 H12 115.0 . . ? C12 C13 C14 85.9(6) . . ? C12 C13 H13A 114.3 . . ? C14 C13 H13A 114.3 . . ? C12 C13 H13B 114.3 . . ? C14 C13 H13B 114.3 . . ? H13A C13 H13B 111.5 . . ? C9 C14 C13 108.0(6) . . ? C9 C14 C15 108.0(6) . . ? C13 C14 C15 86.8(5) . . ? C9 C14 H14 116.7 . . ? C13 C14 H14 116.7 . . ? C15 C14 H14 116.7 . . ? C17 C15 C16 109.0(7) . . ? C17 C15 C12 119.2(6) . . ? C16 C15 C12 113.3(6) . . ? C17 C15 C14 118.6(6) . . ? C16 C15 C14 110.2(6) . . ? C12 C15 C14 84.8(6) . . ? C15 C16 H16A 109.5 . . ? C15 C16 H16B 109.5 . . ? H16A C16 H16B 109.5 . . ? C15 C16 H16C 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? C15 C17 H17A 109.5 . . ? C15 C17 H17B 109.5 . . ? H17A C17 H17B 109.5 . . ? C15 C17 H17C 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? N2 C18 C19 119.1(5) . . ? N2 C18 C19 119.1(5) . 2_556 ? C19 C18 C19 121.9(10) . 2_556 ? C18 C19 C20 117.1(9) . . ? C18 C19 C22 120.0(8) . . ? C20 C19 C22 122.8(9) . . ? C21 C20 C19 122.2(11) . . ? C21 C20 H20 118.9 . . ? C19 C20 H20 118.9 . . ? C20 C21 C20 119.4(11) . 2_556 ? C20 C21 H21 120.3 . . ? C20 C21 H21 120.3 2_556 . ? C19 C22 H22A 109.5 . . ? C19 C22 H22B 109.5 . . ? H22A C22 H22B 109.5 . . ? C19 C22 H22C 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? F2 C23 F3 39.1(12) . . ? F2 C23 O2 86.3(15) . . ? F3 C23 O2 121.2(17) . . ? F2 C23 O3 142(3) . . ? F3 C23 O3 120(2) . . ? O2 C23 O3 88(2) . . ? F2 C23 F1 132.2(19) . . ? F3 C23 F1 100.1(17) . . ? O2 C23 F1 109.2(17) . . ? O3 C23 F1 23(2) . . ? F2 C23 O1 94.7(15) . . ? F3 C23 O1 56.0(14) . . ? O2 C23 O1 162.7(15) . . ? O3 C23 O1 80.4(19) . . ? F1 C23 O1 58.0(16) . . ? F2 C23 S1 112.5(15) . 7_566 ? F3 C23 S1 110.0(16) . 7_566 ? O2 C23 S1 110.7(10) . 7_566 ? O3 C23 S1 105(2) . 7_566 ? F1 C23 S1 103.8(19) . 7_566 ? O1 C23 S1 84.9(12) . 7_566 ? F2 C23 C23 112.5(15) . 7_566 ? F3 C23 C23 110.0(16) . 7_566 ? O2 C23 C23 110.7(10) . 7_566 ? O3 C23 C23 105(2) . 7_566 ? F1 C23 C23 103.8(19) . 7_566 ? O1 C23 C23 84.9(12) . 7_566 ? S1 C23 C23 0.0(3) 7_566 7_566 ? O3 F1 C23 69(6) . . ? O3 F1 O1 136(8) . . ? C23 F1 O1 67.4(19) . . ? C23 O2 F2 46.4(8) . . ? F2 F3 C23 70.4(8) . . ? F2 F3 O1 144(2) . . ? C23 F3 O1 74.7(15) . . ? C10 N1 C6 119.0(6) . . ? C10 N1 Pt1 125.6(5) . . ? C6 N1 Pt1 115.1(4) . . ? C2 N2 C18 180.000(3) . . ? F3 O1 F1 92(3) . . ? F3 O1 C23 49.3(9) . . ? F1 O1 C23 54.6(15) . . ? F3 F2 C23 70.5(8) . . ? F3 F2 O2 113.6(16) . . ? C23 F2 O2 47.4(8) . . ? F1 O3 C23 88(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 C2 Pt1 C1 C5 156(100) . . . . ? N1 Pt1 C1 C5 176.4(3) 2_556 . . . ? N1 Pt1 C1 C5 -3.6(3) . . . . ? C2 Pt1 C1 C5 -24(100) . . . 2_556 ? N1 Pt1 C1 C5 -3.6(3) 2_556 . . 2_556 ? N1 Pt1 C1 C5 176.4(3) . . . 2_556 ? C1 Pt1 C2 N2 0(100) . . . . ? N1 Pt1 C2 N2 159(100) 2_556 . . . ? N1 Pt1 C2 N2 -21(100) . . . . ? C4 C3 C4 C5 0.8(4) 2_556 . . . ? C5 C1 C5 C4 0.7(4) 2_556 . . . ? Pt1 C1 C5 C4 -179.3(4) . . . . ? C5 C1 C5 C6 -176.5(6) 2_556 . . . ? Pt1 C1 C5 C6 3.5(6) . . . . ? C3 C4 C5 C1 -1.5(9) . . . . ? C3 C4 C5 C6 175.2(6) . . . . ? C1 C5 C6 N1 -0.8(7) . . . . ? C4 C5 C6 N1 -177.6(6) . . . . ? C1 C5 C6 C7 173.4(5) . . . . ? C4 C5 C6 C7 -3.4(11) . . . . ? N1 C6 C7 C8 2.1(9) . . . . ? C5 C6 C7 C8 -171.9(6) . . . . ? C6 C7 C8 C9 -0.3(10) . . . . ? C6 C7 C8 C11 175.5(7) . . . . ? C7 C8 C9 C10 -1.2(11) . . . . ? C11 C8 C9 C10 -177.2(7) . . . . ? C7 C8 C9 C14 177.7(7) . . . . ? C11 C8 C9 C14 1.7(11) . . . . ? C8 C9 C10 N1 0.9(12) . . . . ? C14 C9 C10 N1 -177.9(7) . . . . ? C7 C8 C11 C12 -176.0(7) . . . . ? C9 C8 C11 C12 -0.2(11) . . . . ? C8 C11 C12 C13 -48.8(8) . . . . ? C8 C11 C12 C15 47.3(10) . . . . ? C11 C12 C13 C14 84.0(6) . . . . ? C15 C12 C13 C14 -28.1(6) . . . . ? C10 C9 C14 C13 -137.2(8) . . . . ? C8 C9 C14 C13 44.0(9) . . . . ? C10 C9 C14 C15 130.3(8) . . . . ? C8 C9 C14 C15 -48.5(9) . . . . ? C12 C13 C14 C9 -80.2(7) . . . . ? C12 C13 C14 C15 27.8(6) . . . . ? C11 C12 C15 C17 38.0(11) . . . . ? C13 C12 C15 C17 147.9(7) . . . . ? C11 C12 C15 C16 168.3(7) . . . . ? C13 C12 C15 C16 -81.8(7) . . . . ? C11 C12 C15 C14 -82.0(8) . . . . ? C13 C12 C15 C14 27.9(5) . . . . ? C9 C14 C15 C17 -40.1(9) . . . . ? C13 C14 C15 C17 -148.0(7) . . . . ? C9 C14 C15 C16 -166.6(6) . . . . ? C13 C14 C15 C16 85.5(6) . . . . ? C9 C14 C15 C12 80.5(6) . . . . ? C13 C14 C15 C12 -27.4(6) . . . . ? N2 C18 C19 C20 179.5(8) . . . . ? C19 C18 C19 C20 -0.5(8) 2_556 . . . ? N2 C18 C19 C22 1.4(10) . . . . ? C19 C18 C19 C22 -178.6(9) 2_556 . . . ? C18 C19 C20 C21 1.0(16) . . . . ? C22 C19 C20 C21 179.0(10) . . . . ? C19 C20 C21 C20 -0.5(8) . . . 2_556 ? F2 C23 F1 O3 126(10) . . . . ? F3 C23 F1 O3 152(10) . . . . ? O2 C23 F1 O3 23(11) . . . . ? O1 C23 F1 O3 -170(11) . . . . ? S1 C23 F1 O3 -95(10) 7_566 . . . ? C23 C23 F1 O3 -95(10) 7_566 . . . ? F2 C23 F1 O1 -64(3) . . . . ? F3 C23 F1 O1 -39(3) . . . . ? O2 C23 F1 O1 -167.0(18) . . . . ? O3 C23 F1 O1 170(11) . . . . ? S1 C23 F1 O1 74.9(19) 7_566 . . . ? C23 C23 F1 O1 74.9(19) 7_566 . . . ? F3 C23 O2 F2 18(3) . . . . ? O3 C23 O2 F2 142(3) . . . . ? F1 C23 O2 F2 134(2) . . . . ? O1 C23 O2 F2 94(5) . . . . ? S1 C23 O2 F2 -112.6(14) 7_566 . . . ? C23 C23 O2 F2 -112.6(14) 7_566 . . . ? O2 C23 F3 F2 -30(4) . . . . ? O3 C23 F3 F2 -138(4) . . . . ? F1 C23 F3 F2 -150(4) . . . . ? O1 C23 F3 F2 170(5) . . . . ? S1 C23 F3 F2 101(4) 7_566 . . . ? C23 C23 F3 F2 101(4) 7_566 . . . ? F2 C23 F3 O1 -170(5) . . . . ? O2 C23 F3 O1 159.7(19) . . . . ? O3 C23 F3 O1 52(3) . . . . ? F1 C23 F3 O1 40(3) . . . . ? S1 C23 F3 O1 -69.0(19) 7_566 . . . ? C23 C23 F3 O1 -69.0(19) 7_566 . . . ? C9 C10 N1 C6 0.9(10) . . . . ? C9 C10 N1 Pt1 174.6(6) . . . . ? C7 C6 N1 C10 -2.4(9) . . . . ? C5 C6 N1 C10 172.3(5) . . . . ? C7 C6 N1 Pt1 -176.7(4) . . . . ? C5 C6 N1 Pt1 -2.0(7) . . . . ? C1 Pt1 N1 C10 -170.9(5) . . . . ? C2 Pt1 N1 C10 9.1(5) . . . . ? N1 Pt1 N1 C10 -170.9(5) 2_556 . . . ? C1 Pt1 N1 C6 3.0(4) . . . . ? C2 Pt1 N1 C6 -177.0(4) . . . . ? N1 Pt1 N1 C6 3.0(4) 2_556 . . . ? Pt1 C2 N2 C18 0(100) . . . . ? C19 C18 N2 C2 -138(100) . . . . ? C19 C18 N2 C2 42(100) 2_556 . . . ? F2 F3 O1 F1 -53(9) . . . . ? C23 F3 O1 F1 -37(2) . . . . ? F2 F3 O1 C23 -15(7) . . . . ? O3 F1 O1 F3 48(16) . . . . ? C23 F1 O1 F3 34.3(19) . . . . ? O3 F1 O1 C23 14(15) . . . . ? F2 C23 O1 F3 6(3) . . . . ? O2 C23 O1 F3 -86(5) . . . . ? O3 C23 O1 F3 -136(3) . . . . ? F1 C23 O1 F3 -132(3) . . . . ? S1 C23 O1 F3 118(2) 7_566 . . . ? C23 C23 O1 F3 118(2) 7_566 . . . ? F2 C23 O1 F1 138(2) . . . . ? F3 C23 O1 F1 132(3) . . . . ? O2 C23 O1 F1 46(5) . . . . ? O3 C23 O1 F1 -4(4) . . . . ? S1 C23 O1 F1 -110(2) 7_566 . . . ? C23 C23 O1 F1 -110(2) 7_566 . . . ? O1 F3 F2 C23 16(7) . . . . ? C23 F3 F2 O2 20(3) . . . . ? O1 F3 F2 O2 36(10) . . . . ? O2 C23 F2 F3 155(4) . . . . ? O3 C23 F2 F3 72(5) . . . . ? F1 C23 F2 F3 42(5) . . . . ? O1 C23 F2 F3 -8(4) . . . . ? S1 C23 F2 F3 -94(4) 7_566 . . . ? C23 C23 F2 F3 -94(4) 7_566 . . . ? F3 C23 F2 O2 -155(4) . . . . ? O3 C23 F2 O2 -82(3) . . . . ? F1 C23 F2 O2 -113(3) . . . . ? O1 C23 F2 O2 -162.7(16) . . . . ? S1 C23 F2 O2 110.9(12) 7_566 . . . ? C23 C23 F2 O2 110.9(12) 7_566 . . . ? C23 O2 F2 F3 -26(4) . . . . ? O1 F1 O3 C23 -14(15) . . . . ? F2 C23 O3 F1 -77(12) . . . . ? F3 C23 O3 F1 -33(11) . . . . ? O2 C23 O3 F1 -158(10) . . . . ? O1 C23 O3 F1 9(10) . . . . ? S1 C23 O3 F1 91(10) 7_566 . . . ? C23 C23 O3 F1 91(10) 7_566 . . . ? _diffrn_measured_fraction_theta_max 0.993 _diffrn_reflns_theta_full 24.99 _diffrn_measured_fraction_theta_full 0.993 _refine_diff_density_max 1.427 _refine_diff_density_min -1.524 _refine_diff_density_rms 0.206