#------------------------------------------------------------------------------ #$Date: 2026-06-16 00:01:03 +0100 (Tue, 16 Jun 2026) $ #$Revision: 306569 $ #$URL: svn://www.crystallography.net/cod/cif/7/72/11/7721131.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_7721131 loop_ _publ_author_name 'Aljagthmi, Amjad' 'Babgi, Bandar' 'Iskandrani, Abrar S.' 'Alezi, Dalal' 'Ali, Ehab M. M.' 'jedidi, abdesslem' 'Al-Rashdi, Kamelah S.' 'Shkurenko, Aleksander' 'Eddaoudi, Mohamed' _publ_section_title ; Ligand Design Controls Biomolecule Binding and Cytotoxicity in Platinum(II) Complexes with ONS-Type Tridentate Ligands ; _journal_name_full 'Dalton Transactions' _journal_paper_doi 10.1039/D6DT01073C _journal_year 2026 _chemical_formula_moiety 'C14 H11 Br Cl N O Pt S' _chemical_formula_sum 'C14 H11 Br Cl N O Pt S' _chemical_formula_weight 551.75 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-2025/1 _audit_update_record ; 2026-04-29 deposited with the CCDC. 2026-06-15 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 93.5663(8) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 17.1412(6) _cell_length_b 10.6611(4) _cell_length_c 7.9335(3) _cell_measurement_reflns_used 9624 _cell_measurement_temperature 150.0(1) _cell_measurement_theta_max 77.296 _cell_measurement_theta_min 2.583 _cell_volume 1446.99(9) _computing_cell_refinement 'SAINT V8.41 (Bruker AXS Inc., 2025)' _computing_data_collection 'APEX6 v2024.9-1 (Bruker AXS Inc., 2024)' _computing_data_reduction 'SAINT V8.41 (Bruker AXS Inc., 2025)' _computing_molecular_graphics 'DIAMOND (Crystal Impact GbR, 2009' _computing_structure_refinement 'SHELXL-2025/1 (Sheldrick, 2025)' _computing_structure_solution 'SHELXS-2008 (Sheldrick, 2008)' _diffrn_ambient_temperature 150.0(1) _diffrn_detector 'CMOS Area detector' _diffrn_detector_area_resol_mean 7.36 _diffrn_detector_type 'Bruker Photon III M28 detector' _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.997 _diffrn_measurement_device '\k-geometry diffractometer' _diffrn_measurement_device_type 'Bruker D8 VENTURE Photon III' _diffrn_measurement_method '\w and \f scans' _diffrn_radiation_monochromator 'multilayer mirrors' _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54178 _diffrn_reflns_av_R_equivalents 0.0435 _diffrn_reflns_av_unetI/netI 0.0125 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.997 _diffrn_reflns_limit_h_max 21 _diffrn_reflns_limit_h_min -21 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_l_max 10 _diffrn_reflns_limit_l_min -9 _diffrn_reflns_number 91190 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.997 _diffrn_reflns_theta_full 67.679 _diffrn_reflns_theta_max 77.287 _diffrn_reflns_theta_min 2.583 _diffrn_source 'microfocus sealed X-ray tube' _exptl_absorpt_coefficient_mu 24.369 _exptl_absorpt_correction_T_max 0.1113 _exptl_absorpt_correction_T_min 0.0175 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1045 before and 0.0637 after correction. The Ratio of minimum to maximum transmission is 0.1572. The \l/2 correction factor is Not present. ; _exptl_crystal_colour orange _exptl_crystal_density_diffrn 2.533 _exptl_crystal_description plate _exptl_crystal_F_000 1024 _exptl_crystal_size_max 0.141 _exptl_crystal_size_mid 0.091 _exptl_crystal_size_min 0.011 _refine_diff_density_max 1.642 _refine_diff_density_min -1.242 _refine_diff_density_rms 0.163 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.010 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 158 _refine_ls_number_reflns 3061 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.010 _refine_ls_R_factor_all 0.0279 _refine_ls_R_factor_gt 0.0279 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0367P)^2^+8.5328P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0706 _refine_ls_wR_factor_ref 0.0706 _reflns_Friedel_coverage 0.000 _reflns_number_gt 3061 _reflns_number_total 3061 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d6dt01073c2.cif _cod_data_source_block Pt6 _cod_original_sg_symbol_H-M 'P 21/c' _cod_database_code 7721131 _shelx_shelxl_version_number 2025/1 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_min 0.130 _shelx_estimated_absorpt_t_max 0.775 _shelx_res_file ; TITL Pt6 (Dalal_AS35) in P21/c #14 Pt6.res created by SHELXL-2025/1 at 12:26:33 on 26-Apr-2026 CELL 1.54178 17.1412 10.6611 7.9335 90 93.5663 90 ZERR 4 0.0006 0.0004 0.0003 0 0.0008 0 LATT 1 SYMM -X,0.5+Y,0.5-Z SFAC C H Br Cl N O Pt S UNIT 56 44 4 4 4 4 4 4 L.S. 7 PLAN 10 SIZE 0.011 0.091 0.141 TEMP -123.15 CONF BOND MORE -1 BOND $H fmap 2 53 acta OMIT 1 1 0 OMIT 2 0 2 WGHT 0.036700 8.532790 FVAR 0.07314 PT1 7 0.312389 0.700129 0.377469 11.00000 0.02987 0.02097 = 0.02806 -0.00118 0.00169 -0.00085 CL1 4 0.389958 0.531687 0.313973 11.00000 0.04161 0.02322 = 0.04164 -0.00121 0.01099 0.00186 O1 6 0.236506 0.575526 0.459520 11.00000 0.03389 0.02230 = 0.04692 -0.00142 0.00705 -0.00353 AFIX 66 C1 1 0.172520 0.605487 0.537480 11.00000 0.02986 0.02908 = 0.03529 -0.00228 -0.00200 -0.00280 C2 1 0.147494 0.726991 0.567654 11.00000 0.03100 0.03027 = 0.03322 -0.00057 -0.00133 -0.00263 C3 1 0.078937 0.746798 0.648618 11.00000 0.03983 0.02800 = 0.03958 -0.00312 0.00471 0.00025 AFIX 43 H3 2 0.061833 0.829841 0.669240 11.00000 -1.20000 AFIX 65 C4 1 0.035404 0.645101 0.699408 11.00000 0.02981 0.03653 = 0.04033 -0.00473 0.00819 -0.00190 C5 1 0.060429 0.523596 0.669234 11.00000 0.03283 0.03206 = 0.05457 0.00035 0.00824 -0.00758 AFIX 43 H5 2 0.030676 0.454091 0.703947 11.00000 -1.20000 AFIX 65 C6 1 0.128986 0.503787 0.588271 11.00000 0.03802 0.02730 = 0.05089 0.00004 0.00704 -0.00024 AFIX 43 H6 2 0.146090 0.420744 0.567649 11.00000 -1.20000 AFIX 0 C7 1 0.187274 0.841124 0.519427 11.00000 0.03622 0.02737 = 0.03653 -0.00278 0.00158 0.00161 AFIX 43 H7 2 0.163913 0.918000 0.549886 11.00000 -1.20000 AFIX 0 N1 5 0.250812 0.849905 0.439821 11.00000 0.03106 0.02257 = 0.03330 -0.00109 -0.00076 0.00007 AFIX 66 C8 1 0.281794 0.972862 0.397605 11.00000 0.03611 0.02185 = 0.03352 -0.00183 -0.00103 -0.00240 C9 1 0.350302 0.973578 0.312626 11.00000 0.03560 0.02507 = 0.03270 -0.00028 -0.00007 0.00142 C10 1 0.382006 1.086651 0.262714 11.00000 0.04230 0.03101 = 0.03783 0.00105 0.00452 -0.00436 AFIX 43 H10 2 0.428828 1.087140 0.204635 11.00000 -1.20000 AFIX 65 C11 1 0.345201 1.199009 0.297780 11.00000 0.04435 0.02392 = 0.04427 0.00376 0.00341 -0.00458 AFIX 43 H11 2 0.366870 1.276289 0.263667 11.00000 -1.20000 AFIX 65 C12 1 0.276693 1.198294 0.382759 11.00000 0.04124 0.02729 = 0.05179 -0.00164 -0.00041 0.00246 AFIX 43 H12 2 0.251539 1.275086 0.406725 11.00000 -1.20000 AFIX 65 C13 1 0.244989 1.085222 0.432672 11.00000 0.04009 0.02936 = 0.04803 -0.00222 0.00804 -0.00119 AFIX 43 H13 2 0.198166 1.084733 0.490751 11.00000 -1.20000 AFIX 0 S1 8 0.397856 0.831217 0.274692 11.00000 0.03722 0.02347 = 0.02902 -0.00138 0.00644 -0.00112 C14 1 0.479982 0.838108 0.430396 11.00000 0.03375 0.02851 = 0.03900 -0.00106 0.00449 -0.00435 AFIX 137 H14A 2 0.461546 0.864230 0.539480 11.00000 -1.50000 H14B 2 0.518461 0.898738 0.393910 11.00000 -1.50000 H14C 2 0.504265 0.755076 0.441836 11.00000 -1.50000 AFIX 0 BR1 3 -0.060137 0.669223 0.804740 11.00000 0.04178 0.04047 = 0.06628 -0.00806 0.02182 -0.00652 HKLF 4 REM Pt6 (Dalal_AS35) in P21/c #14 REM wR2 = 0.0706, GooF = S = 1.010, Restrained GooF = 1.010 for all data REM R1 = 0.0279 for 3061 Fo > 4sig(Fo) and 0.0279 for all 3061 data REM 158 parameters refined using 0 restraints END WGHT 0.0359 4.6746 REM Highest difference peak 1.642, deepest hole -1.242, 1-sigma level 0.163 Q1 1 0.3160 0.7038 0.4950 11.00000 0.05 1.64 Q2 1 0.3105 0.7000 0.2642 11.00000 0.05 1.44 Q3 1 0.3403 0.7738 0.3421 11.00000 0.05 1.01 Q4 1 0.3587 0.6974 0.3455 11.00000 0.05 1.00 Q5 1 0.2832 0.7675 0.4160 11.00000 0.05 0.94 Q6 1 0.2631 0.6942 0.4082 11.00000 0.05 0.82 Q7 1 0.2785 0.6376 0.4045 11.00000 0.05 0.78 Q8 1 0.1847 0.5987 0.4966 11.00000 0.05 0.73 Q9 1 0.1068 0.5167 0.6210 11.00000 0.05 0.68 Q10 1 0.3434 0.6381 0.3486 11.00000 0.05 0.66 ; _shelx_res_checksum 98150 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' 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_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Pt1 Pt 0.31239(2) 0.70013(2) 0.37747(2) 0.02631(8) Uani 1 1 d . . . . . Cl1 Cl 0.38996(7) 0.53169(10) 0.31397(15) 0.0351(2) Uani 1 1 d . . . . . O1 O 0.2365(2) 0.5755(3) 0.4595(5) 0.0342(7) Uani 1 1 d . . . . . C1 C 0.17252(15) 0.6055(3) 0.5375(4) 0.0316(10) Uani 1 1 d G . . . . C2 C 0.14749(17) 0.7270(2) 0.5677(4) 0.0316(10) Uani 1 1 d G . . . . C3 C 0.07894(18) 0.7468(2) 0.6486(4) 0.0357(10) Uani 1 1 d G . . . . H3 H 0.061833 0.829841 0.669240 0.043 Uiso 1 1 calc R U . . . C4 C 0.03540(15) 0.6451(3) 0.6994(4) 0.0353(10) Uani 1 1 d G . . . . C5 C 0.06043(18) 0.5236(2) 0.6692(5) 0.0396(12) Uani 1 1 d G . . . . H5 H 0.030676 0.454091 0.703947 0.048 Uiso 1 1 calc R U . . . C6 C 0.12899(18) 0.5038(2) 0.5883(5) 0.0386(11) Uani 1 1 d G . . . . H6 H 0.146090 0.420744 0.567649 0.046 Uiso 1 1 calc R U . . . C7 C 0.1873(3) 0.8411(5) 0.5194(6) 0.0334(10) Uani 1 1 d . . . . . H7 H 0.163913 0.918000 0.549886 0.040 Uiso 1 1 calc R U . . . N1 N 0.2508(2) 0.8499(4) 0.4398(5) 0.0291(8) Uani 1 1 d . . . . . C8 C 0.28179(17) 0.9729(2) 0.3976(4) 0.0306(10) Uani 1 1 d G . . . . C9 C 0.35030(17) 0.9736(2) 0.3126(4) 0.0312(10) Uani 1 1 d G . . . . C10 C 0.38201(16) 1.0867(3) 0.2627(4) 0.0370(11) Uani 1 1 d G . . . . H10 H 0.428828 1.087140 0.204635 0.044 Uiso 1 1 calc R U . . . C11 C 0.3452(2) 1.1990(2) 0.2978(5) 0.0375(12) Uani 1 1 d G . . . . H11 H 0.366870 1.276289 0.263667 0.045 Uiso 1 1 calc R U . . . C12 C 0.27669(19) 1.1983(2) 0.3828(5) 0.0402(12) Uani 1 1 d G . . . . H12 H 0.251539 1.275086 0.406725 0.048 Uiso 1 1 calc R U . . . C13 C 0.24499(16) 1.0852(3) 0.4327(4) 0.0389(11) Uani 1 1 d G . . . . H13 H 0.198166 1.084733 0.490751 0.047 Uiso 1 1 calc R U . . . S1 S 0.39786(7) 0.83122(11) 0.27469(14) 0.0297(2) Uani 1 1 d . . . . . C14 C 0.4800(3) 0.8381(5) 0.4304(7) 0.0337(10) Uani 1 1 d . . . . . H14A H 0.461546 0.864230 0.539480 0.050 Uiso 1 1 calc R U . . . H14B H 0.518461 0.898738 0.393910 0.050 Uiso 1 1 calc R U . . . H14C H 0.504265 0.755076 0.441836 0.050 Uiso 1 1 calc R U . . . Br1 Br -0.06014(4) 0.66922(6) 0.80474(9) 0.04874(16) Uani 1 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 0.02987(12) 0.02097(12) 0.02806(12) -0.00118(6) 0.00169(8) -0.00085(6) Cl1 0.0416(6) 0.0232(5) 0.0416(6) -0.0012(4) 0.0110(5) 0.0019(4) O1 0.0339(17) 0.0223(16) 0.047(2) -0.0014(14) 0.0071(14) -0.0035(13) C1 0.030(2) 0.029(2) 0.035(2) -0.0023(19) -0.0020(18) -0.0028(18) C2 0.031(2) 0.030(2) 0.033(2) -0.0006(19) -0.0013(18) -0.0026(19) C3 0.040(3) 0.028(2) 0.040(3) -0.003(2) 0.005(2) 0.000(2) C4 0.030(2) 0.037(3) 0.040(3) -0.005(2) 0.008(2) -0.002(2) C5 0.033(2) 0.032(3) 0.055(3) 0.000(2) 0.008(2) -0.008(2) C6 0.038(3) 0.027(2) 0.051(3) 0.000(2) 0.007(2) 0.000(2) C7 0.036(2) 0.027(2) 0.037(2) -0.003(2) 0.002(2) 0.002(2) N1 0.0311(19) 0.0226(19) 0.033(2) -0.0011(15) -0.0008(15) 0.0001(15) C8 0.036(2) 0.022(2) 0.034(2) -0.0018(18) -0.0010(19) -0.0024(18) C9 0.036(2) 0.025(2) 0.033(2) -0.0003(18) -0.0001(19) 0.0014(19) C10 0.042(3) 0.031(3) 0.038(3) 0.001(2) 0.005(2) -0.004(2) C11 0.044(3) 0.024(2) 0.044(3) 0.0038(19) 0.003(2) -0.005(2) C12 0.041(3) 0.027(3) 0.052(3) -0.002(2) 0.000(2) 0.002(2) C13 0.040(3) 0.029(3) 0.048(3) -0.002(2) 0.008(2) -0.001(2) S1 0.0372(6) 0.0235(5) 0.0290(5) -0.0014(4) 0.0064(4) -0.0011(4) C14 0.034(2) 0.029(2) 0.039(3) -0.001(2) 0.004(2) -0.004(2) Br1 0.0418(3) 0.0405(3) 0.0663(4) -0.0081(3) 0.0218(3) -0.0065(2) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 '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' Br Br -0.6763 1.2805 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.3331 0.5567 '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 Pt1 O1 94.95(15) . . ? N1 Pt1 S1 87.62(12) . . ? O1 Pt1 S1 176.81(10) . . ? N1 Pt1 Cl1 176.65(12) . . ? O1 Pt1 Cl1 87.10(10) . . ? S1 Pt1 Cl1 90.42(4) . . ? C1 O1 Pt1 124.3(2) . . ? O1 C1 C2 125.1(2) . . ? O1 C1 C6 114.8(2) . . ? C2 C1 C6 120.0 . . ? C1 C2 C3 120.0 . . ? C1 C2 C7 125.3(3) . . ? C3 C2 C7 114.7(3) . . ? C4 C3 C2 120.0 . . ? C4 C3 H3 120.0 . . ? C2 C3 H3 120.0 . . ? C5 C4 C3 120.0 . . ? C5 C4 Br1 119.02(17) . . ? C3 C4 Br1 120.96(17) . . ? C4 C5 C6 120.0 . . ? C4 C5 H5 120.0 . . ? C6 C5 H5 120.0 . . ? C5 C6 C1 120.0 . . ? C5 C6 H6 120.0 . . ? C1 C6 H6 120.0 . . ? N1 C7 C2 127.5(4) . . ? N1 C7 H7 116.2 . . ? C2 C7 H7 116.2 . . ? C7 N1 C8 120.3(4) . . ? C7 N1 Pt1 122.5(3) . . ? C8 N1 Pt1 117.1(3) . . ? C9 C8 C13 120.0 . . ? C9 C8 N1 116.5(2) . . ? C13 C8 N1 123.5(2) . . ? C10 C9 C8 120.0 . . ? C10 C9 S1 120.43(18) . . ? C8 C9 S1 119.55(18) . . ? C11 C10 C9 120.0 . . ? C11 C10 H10 120.0 . . ? C9 C10 H10 120.0 . . ? C10 C11 C12 120.0 . . ? C10 C11 H11 120.0 . . ? C12 C11 H11 120.0 . . ? C13 C12 C11 120.0 . . ? C13 C12 H12 120.0 . . ? C11 C12 H12 120.0 . . ? C12 C13 C8 120.0 . . ? C12 C13 H13 120.0 . . ? C8 C13 H13 120.0 . . ? C9 S1 C14 101.3(2) . . ? C9 S1 Pt1 99.05(11) . . ? C14 S1 Pt1 106.11(17) . . ? S1 C14 H14A 109.5 . . ? S1 C14 H14B 109.5 . . ? H14A C14 H14B 109.5 . . ? S1 C14 H14C 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? 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 N1 1.993(4) . ? Pt1 O1 1.996(3) . ? Pt1 S1 2.2165(12) . ? Pt1 Cl1 2.3086(11) . ? O1 C1 1.331(4) . ? C1 C2 1.3900 . ? C1 C6 1.3900 . ? C2 C3 1.3900 . ? C2 C7 1.458(6) . ? C3 C4 1.3900 . ? C3 H3 0.9500 . ? C4 C5 1.3900 . ? C4 Br1 1.902(2) . ? C5 C6 1.3900 . ? C5 H5 0.9500 . ? C6 H6 0.9500 . ? C7 N1 1.296(7) . ? C7 H7 0.9500 . ? N1 C8 1.461(4) . ? C8 C9 1.3900 . ? C8 C13 1.3900 . ? C9 C10 1.3900 . ? C9 S1 1.758(2) . ? C10 C11 1.3900 . ? C10 H10 0.9500 . ? C11 C12 1.3900 . ? C11 H11 0.9500 . ? C12 C13 1.3900 . ? C12 H12 0.9500 . ? C13 H13 0.9500 . ? S1 C14 1.816(5) . ? C14 H14A 0.9800 . ? C14 H14B 0.9800 . ? C14 H14C 0.9800 . ? 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 Pt1 O1 C1 C2 2.5(5) . . . . ? Pt1 O1 C1 C6 -178.3(2) . . . . ? O1 C1 C2 C3 179.2(4) . . . . ? C6 C1 C2 C3 0.0 . . . . ? O1 C1 C2 C7 -0.2(5) . . . . ? C6 C1 C2 C7 -179.4(4) . . . . ? C1 C2 C3 C4 0.0 . . . . ? C7 C2 C3 C4 179.4(3) . . . . ? C2 C3 C4 C5 0.0 . . . . ? C2 C3 C4 Br1 -178.2(3) . . . . ? C3 C4 C5 C6 0.0 . . . . ? Br1 C4 C5 C6 178.3(3) . . . . ? C4 C5 C6 C1 0.0 . . . . ? O1 C1 C6 C5 -179.3(3) . . . . ? C2 C1 C6 C5 0.0 . . . . ? C1 C2 C7 N1 1.0(7) . . . . ? C3 C2 C7 N1 -178.4(4) . . . . ? C2 C7 N1 C8 178.4(4) . . . . ? C2 C7 N1 Pt1 -3.9(7) . . . . ? C7 N1 C8 C9 179.8(4) . . . . ? Pt1 N1 C8 C9 2.0(4) . . . . ? C7 N1 C8 C13 -2.5(5) . . . . ? Pt1 N1 C8 C13 179.7(2) . . . . ? C13 C8 C9 C10 0.0 . . . . ? N1 C8 C9 C10 177.7(3) . . . . ? C13 C8 C9 S1 178.1(3) . . . . ? N1 C8 C9 S1 -4.2(3) . . . . ? C8 C9 C10 C11 0.0 . . . . ? S1 C9 C10 C11 -178.1(3) . . . . ? C9 C10 C11 C12 0.0 . . . . ? C10 C11 C12 C13 0.0 . . . . ? C11 C12 C13 C8 0.0 . . . . ? C9 C8 C13 C12 0.0 . . . . ? N1 C8 C13 C12 -177.6(4) . . . . ? C10 C9 S1 C14 73.4(3) . . . . ? C8 C9 S1 C14 -104.7(2) . . . . ? C10 C9 S1 Pt1 -178.01(17) . . . . ? C8 C9 S1 Pt1 3.9(2) . . . . ?