Supplementary Material (ESI) for Dalton Transactions This journal is (c) The Royal Society of Chemistry 2001 data_gw227aab _database_code_CSD 167084 _journal_coden_Cambridge 186 _publ_requested_journal 'Dalton Transactions' loop_ _publ_author_name 'Huakka, Matti' 'Wagner, Gabriele' _publ_contact_author_name 'Dr Gabriele Wagner' _publ_contact_author_address ; Instituto de Tecnologia Quimica e Biologica Universidade Nova de Lisboa Av. da Republica Apartado 127 2781-901 Oeiras PORTUGAL ; _publ_contact_author_email 'GABRIELEWAGNER@HOTMAIL.COM' _publ_section_title ; Stereoselective [2 + 3] cycloaddition of nitrones to platinum-bound organonitriles. First enantioselective synthesis of Delta4-1,2,4-oxadiazolines ; _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C22 H22 Cl2 N2 O2 Pt S' _chemical_formula_weight 644.47 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' 'S' 'S' 0.1246 0.1234 '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' 'Pt' 'Pt' -1.7033 8.3905 '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' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 9.5957(2) _cell_length_b 9.7390(2) _cell_length_c 12.1048(2) _cell_angle_alpha 79.9300(10) _cell_angle_beta 87.5930(10) _cell_angle_gamma 86.1150(10) _cell_volume 1110.71(4) _cell_formula_units_Z 2 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description 'plate' _exptl_crystal_colour 'colorless' _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.927 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 624 _exptl_absorpt_coefficient_mu 6.673 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.22326 _exptl_absorpt_correction_T_max 0.35950 _exptl_absorpt_process_details 'Xprep in Shelxtl v. 5.1 (Bruker AXS, 1998)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 150(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Nonius KappaCCD' _diffrn_measurement_method 'phi-scan' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 14335 _diffrn_reflns_av_R_equivalents 0.0309 _diffrn_reflns_av_sigmaI/netI 0.0333 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_theta_min 3.70 _diffrn_reflns_theta_max 25.52 _reflns_number_total 4104 _reflns_number_gt 3938 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Collect (Nonius, 1999)' _computing_cell_refinement 'Denzo/Scalepack (Otwinowski & Minor, 1997)' _computing_data_reduction 'Denzo/Scalepack (Otwinowski & Minor, 1997)' _computing_structure_solution 'DIRDIF99 (Beurskens et al., 1999)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'XP in SHELXTL v.5.1 (Bruker Axs, 1998)' _computing_publication_material 'SHELXL-97' _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^)+(0.0229P)^2^+1.4338P] 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 4104 _refine_ls_number_parameters 273 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0229 _refine_ls_R_factor_gt 0.0214 _refine_ls_wR_factor_ref 0.0531 _refine_ls_wR_factor_gt 0.0522 _refine_ls_goodness_of_fit_ref 1.060 _refine_ls_restrained_S_all 1.060 _refine_ls_shift/su_max 0.001 _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 C1 C 0.2286(4) 0.3628(4) 0.3574(3) 0.0252(7) Uani 1 1 d . . . C2 C 0.0894(4) 0.4342(4) 0.3402(3) 0.0247(7) Uani 1 1 d . . . C3 C -0.0267(4) 0.3631(4) 0.3260(3) 0.0328(9) Uani 1 1 d . . . H3 H -0.0191 0.2649 0.3281 0.039 Uiso 1 1 calc R . . C4 C -0.1551(4) 0.4382(5) 0.3086(4) 0.0410(10) Uani 1 1 d . . . H4 H -0.2352 0.3907 0.2973 0.049 Uiso 1 1 calc R . . C5 C -0.1677(5) 0.5785(5) 0.3076(4) 0.0419(10) Uani 1 1 d . . . H5 H -0.2561 0.6279 0.2963 0.050 Uiso 1 1 calc R . . C6 C -0.0517(5) 0.6491(5) 0.3230(4) 0.0442(11) Uani 1 1 d . . . H6 H -0.0606 0.7471 0.3216 0.053 Uiso 1 1 calc R . . C7 C 0.0771(4) 0.5774(4) 0.3406(3) 0.0351(9) Uani 1 1 d . . . H7 H 0.1565 0.6255 0.3527 0.042 Uiso 1 1 calc R . . C8 C 0.5009(5) 0.3093(5) 0.5315(3) 0.0404(10) Uani 1 1 d . . . H8A H 0.5104 0.3955 0.5613 0.061 Uiso 1 1 calc R . . H8B H 0.5923 0.2582 0.5298 0.061 Uiso 1 1 calc R . . H8C H 0.4354 0.2510 0.5797 0.061 Uiso 1 1 calc R . . C9 C 0.4207(4) 0.2191(4) 0.3702(3) 0.0246(7) Uani 1 1 d . . . H9 H 0.4080 0.1390 0.4331 0.030 Uiso 1 1 calc R . . C10 C 0.5425(3) 0.1843(4) 0.2964(3) 0.0214(7) Uani 1 1 d . . . C11 C 0.5563(4) 0.2468(4) 0.1848(3) 0.0223(7) Uani 1 1 d . . . H11 H 0.4859 0.3130 0.1522 0.027 Uiso 1 1 calc R . . C12 C 0.6728(4) 0.2129(4) 0.1203(3) 0.0265(8) Uani 1 1 d . . . H12 H 0.6806 0.2533 0.0432 0.032 Uiso 1 1 calc R . . C13 C 0.7771(4) 0.1203(4) 0.1691(3) 0.0305(8) Uani 1 1 d . . . H13 H 0.8569 0.0975 0.1251 0.037 Uiso 1 1 calc R . . C14 C 0.7666(4) 0.0605(4) 0.2810(4) 0.0338(9) Uani 1 1 d . . . H14 H 0.8400 -0.0013 0.3143 0.041 Uiso 1 1 calc R . . C15 C 0.6489(4) 0.0907(4) 0.3447(3) 0.0301(8) Uani 1 1 d . . . H15 H 0.6405 0.0477 0.4213 0.036 Uiso 1 1 calc R . . C16 C 0.0492(3) 0.3030(4) -0.0084(3) 0.0257(7) Uani 1 1 d . . . H16A H -0.0327 0.3214 0.0391 0.039 Uiso 1 1 calc R . . H16B H 0.0436 0.2119 -0.0314 0.039 Uiso 1 1 calc R . . H16C H 0.0518 0.3761 -0.0751 0.039 Uiso 1 1 calc R . . C17 C 0.3381(3) 0.2736(3) -0.0343(3) 0.0187(7) Uani 1 1 d . . . C18 C 0.4104(4) 0.3883(4) -0.0826(3) 0.0234(7) Uani 1 1 d . . . H18 H 0.3864 0.4776 -0.0633 0.028 Uiso 1 1 calc R . . C19 C 0.5188(4) 0.3708(4) -0.1599(3) 0.0278(8) Uani 1 1 d . . . H19 H 0.5694 0.4487 -0.1937 0.033 Uiso 1 1 calc R . . C20 C 0.5534(4) 0.2408(4) -0.1879(3) 0.0241(7) Uani 1 1 d . . . H20 H 0.6286 0.2289 -0.2396 0.029 Uiso 1 1 calc R . . C21 C 0.4772(4) 0.1273(4) -0.1398(3) 0.0294(8) Uani 1 1 d . . . H21 H 0.4992 0.0385 -0.1606 0.035 Uiso 1 1 calc R . . C22 C 0.3703(4) 0.1427(4) -0.0624(3) 0.0272(8) Uani 1 1 d . . . H22 H 0.3195 0.0649 -0.0289 0.033 Uiso 1 1 calc R . . N1 N 0.2869(3) 0.2596(3) 0.3151(2) 0.0184(6) Uani 1 1 d . . . N2 N 0.4477(3) 0.3445(3) 0.4166(2) 0.0235(6) Uani 1 1 d . . . O5 O 0.2149(3) 0.4434(2) 0.0920(2) 0.0247(5) Uani 1 1 d . . . O6 O 0.3069(3) 0.4125(3) 0.4287(2) 0.0292(6) Uani 1 1 d . . . S1 S 0.20360(8) 0.30195(8) 0.06822(7) 0.01753(17) Uani 1 1 d . . . Cl1 Cl 0.12348(9) -0.02514(8) 0.12180(7) 0.02223(17) Uani 1 1 d . . . Cl2 Cl 0.20204(10) -0.03625(10) 0.37841(7) 0.0300(2) Uani 1 1 d . . . Pt1 Pt 0.207385(11) 0.133067(11) 0.218198(9) 0.01661(6) 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 C1 0.0240(17) 0.0315(19) 0.0226(18) -0.0105(14) -0.0004(14) -0.0052(15) C2 0.0219(17) 0.0317(19) 0.0230(18) -0.0127(14) 0.0009(14) -0.0003(15) C3 0.0244(19) 0.039(2) 0.040(2) -0.0211(17) -0.0022(16) -0.0021(16) C4 0.025(2) 0.062(3) 0.039(2) -0.019(2) -0.0018(17) 0.000(2) C5 0.035(2) 0.058(3) 0.033(2) -0.0143(19) -0.0026(18) 0.015(2) C6 0.048(3) 0.036(2) 0.046(3) -0.0080(19) -0.003(2) 0.014(2) C7 0.034(2) 0.036(2) 0.039(2) -0.0135(17) 0.0019(17) -0.0066(18) C8 0.047(2) 0.048(3) 0.031(2) -0.0163(18) -0.0160(19) 0.004(2) C9 0.0251(18) 0.0246(18) 0.0261(19) -0.0085(14) -0.0049(14) -0.0028(15) C10 0.0185(16) 0.0225(17) 0.0263(18) -0.0111(13) -0.0039(14) -0.0034(14) C11 0.0184(16) 0.0208(17) 0.0286(19) -0.0048(13) -0.0048(14) -0.0026(14) C12 0.0248(18) 0.0287(19) 0.0280(19) -0.0091(15) -0.0004(15) -0.0066(15) C13 0.0212(18) 0.034(2) 0.039(2) -0.0154(17) 0.0029(16) -0.0013(16) C14 0.0228(19) 0.030(2) 0.047(2) -0.0051(17) -0.0093(17) 0.0055(16) C15 0.0285(19) 0.034(2) 0.0268(19) -0.0020(15) -0.0075(15) 0.0000(16) C16 0.0186(17) 0.0288(19) 0.0291(19) -0.0015(14) -0.0065(14) -0.0009(14) C17 0.0175(15) 0.0208(16) 0.0185(16) -0.0044(12) -0.0045(13) -0.0010(13) C18 0.0262(18) 0.0189(16) 0.0250(18) -0.0043(13) 0.0005(14) -0.0001(14) C19 0.0294(19) 0.0249(18) 0.0280(19) 0.0000(14) 0.0019(15) -0.0080(15) C20 0.0232(17) 0.0304(19) 0.0189(17) -0.0056(14) 0.0000(14) -0.0008(15) C21 0.034(2) 0.0250(19) 0.032(2) -0.0120(15) 0.0049(16) -0.0022(16) C22 0.0301(19) 0.0233(18) 0.029(2) -0.0073(14) 0.0067(15) -0.0082(15) N1 0.0156(13) 0.0226(14) 0.0172(14) -0.0049(11) -0.0001(11) 0.0006(11) N2 0.0202(14) 0.0277(16) 0.0257(15) -0.0122(12) -0.0043(12) -0.0010(12) O5 0.0301(13) 0.0169(12) 0.0278(13) -0.0068(9) 0.0015(10) -0.0007(10) O6 0.0246(13) 0.0327(14) 0.0354(14) -0.0189(11) -0.0057(11) -0.0006(11) S1 0.0180(4) 0.0158(4) 0.0194(4) -0.0046(3) -0.0022(3) -0.0011(3) Cl1 0.0223(4) 0.0205(4) 0.0263(4) -0.0084(3) -0.0032(3) -0.0052(3) Cl2 0.0403(5) 0.0257(5) 0.0232(4) 0.0019(3) -0.0055(4) -0.0087(4) Pt1 0.01550(8) 0.01743(9) 0.01790(9) -0.00516(5) -0.00160(5) -0.00204(5) _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 C1 N1 1.291(4) . ? C1 O6 1.339(4) . ? C1 C2 1.469(5) . ? C2 C3 1.383(5) . ? C2 C7 1.393(5) . ? C3 C4 1.394(6) . ? C3 H3 0.9500 . ? C4 C5 1.362(7) . ? C4 H4 0.9500 . ? C5 C6 1.382(7) . ? C5 H5 0.9500 . ? C6 C7 1.384(6) . ? C6 H6 0.9500 . ? C7 H7 0.9500 . ? C8 N2 1.478(5) . ? C8 H8A 0.9800 . ? C8 H8B 0.9800 . ? C8 H8C 0.9800 . ? C9 N1 1.470(4) . ? C9 N2 1.472(4) . ? C9 C10 1.498(5) . ? C9 H9 1.0000 . ? C10 C11 1.386(5) . ? C10 C15 1.397(5) . ? C11 C12 1.391(5) . ? C11 H11 0.9500 . ? C12 C13 1.379(5) . ? C12 H12 0.9500 . ? C13 C14 1.381(6) . ? C13 H13 0.9500 . ? C14 C15 1.385(6) . ? C14 H14 0.9500 . ? C15 H15 0.9500 . ? C16 S1 1.779(3) . ? C16 H16A 0.9800 . ? C16 H16B 0.9800 . ? C16 H16C 0.9800 . ? C17 C18 1.383(5) . ? C17 C22 1.388(5) . ? C17 S1 1.794(3) . ? C18 C19 1.392(5) . ? C18 H18 0.9500 . ? C19 C20 1.383(5) . ? C19 H19 0.9500 . ? C20 C21 1.394(5) . ? C20 H20 0.9500 . ? C21 C22 1.379(5) . ? C21 H21 0.9500 . ? C22 H22 0.9500 . ? N1 Pt1 2.045(3) . ? N2 O6 1.478(4) . ? O5 S1 1.467(2) . ? S1 Pt1 2.2261(8) . ? Cl1 Pt1 2.2934(8) . ? Cl2 Pt1 2.3168(9) . ? 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 C1 O6 115.1(3) . . ? N1 C1 C2 130.2(3) . . ? O6 C1 C2 114.7(3) . . ? C3 C2 C7 120.5(3) . . ? C3 C2 C1 122.0(3) . . ? C7 C2 C1 117.5(3) . . ? C2 C3 C4 118.8(4) . . ? C2 C3 H3 120.6 . . ? C4 C3 H3 120.6 . . ? C5 C4 C3 121.1(4) . . ? C5 C4 H4 119.5 . . ? C3 C4 H4 119.5 . . ? C4 C5 C6 120.1(4) . . ? C4 C5 H5 120.0 . . ? C6 C5 H5 120.0 . . ? C5 C6 C7 120.2(4) . . ? C5 C6 H6 119.9 . . ? C7 C6 H6 119.9 . . ? C6 C7 C2 119.4(4) . . ? C6 C7 H7 120.3 . . ? C2 C7 H7 120.3 . . ? N2 C8 H8A 109.5 . . ? N2 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? N2 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? N1 C9 N2 102.5(3) . . ? N1 C9 C10 116.5(3) . . ? N2 C9 C10 109.3(3) . . ? N1 C9 H9 109.4 . . ? N2 C9 H9 109.4 . . ? C10 C9 H9 109.4 . . ? C11 C10 C15 119.5(3) . . ? C11 C10 C9 122.4(3) . . ? C15 C10 C9 118.0(3) . . ? C10 C11 C12 120.2(3) . . ? C10 C11 H11 119.9 . . ? C12 C11 H11 119.9 . . ? C13 C12 C11 119.7(3) . . ? C13 C12 H12 120.2 . . ? C11 C12 H12 120.2 . . ? C12 C13 C14 120.6(3) . . ? C12 C13 H13 119.7 . . ? C14 C13 H13 119.7 . . ? C13 C14 C15 119.9(4) . . ? C13 C14 H14 120.0 . . ? C15 C14 H14 120.0 . . ? C14 C15 C10 120.0(4) . . ? C14 C15 H15 120.0 . . ? C10 C15 H15 120.0 . . ? S1 C16 H16A 109.5 . . ? S1 C16 H16B 109.5 . . ? H16A C16 H16B 109.5 . . ? S1 C16 H16C 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? C18 C17 C22 121.4(3) . . ? C18 C17 S1 116.7(2) . . ? C22 C17 S1 121.9(3) . . ? C17 C18 C19 118.9(3) . . ? C17 C18 H18 120.5 . . ? C19 C18 H18 120.5 . . ? C20 C19 C18 120.4(3) . . ? C20 C19 H19 119.8 . . ? C18 C19 H19 119.8 . . ? C19 C20 C21 119.6(3) . . ? C19 C20 H20 120.2 . . ? C21 C20 H20 120.2 . . ? C22 C21 C20 120.6(3) . . ? C22 C21 H21 119.7 . . ? C20 C21 H21 119.7 . . ? C21 C22 C17 119.0(3) . . ? C21 C22 H22 120.5 . . ? C17 C22 H22 120.5 . . ? C1 N1 C9 107.7(3) . . ? C1 N1 Pt1 130.8(2) . . ? C9 N1 Pt1 120.2(2) . . ? C9 N2 C8 112.2(3) . . ? C9 N2 O6 103.5(2) . . ? C8 N2 O6 105.4(3) . . ? C1 O6 N2 104.9(2) . . ? O5 S1 C16 107.76(16) . . ? O5 S1 C17 107.29(15) . . ? C16 S1 C17 102.03(16) . . ? O5 S1 Pt1 115.09(10) . . ? C16 S1 Pt1 111.22(12) . . ? C17 S1 Pt1 112.54(11) . . ? N1 Pt1 S1 92.04(8) . . ? N1 Pt1 Cl1 174.93(8) . . ? S1 Pt1 Cl1 92.87(3) . . ? N1 Pt1 Cl2 86.93(8) . . ? S1 Pt1 Cl2 177.04(3) . . ? Cl1 Pt1 Cl2 88.22(3) . . ? 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 N1 C1 C2 C3 36.1(6) . . . . ? O6 C1 C2 C3 -143.4(4) . . . . ? N1 C1 C2 C7 -145.0(4) . . . . ? O6 C1 C2 C7 35.5(5) . . . . ? C7 C2 C3 C4 2.0(6) . . . . ? C1 C2 C3 C4 -179.1(4) . . . . ? C2 C3 C4 C5 -1.3(6) . . . . ? C3 C4 C5 C6 0.6(7) . . . . ? C4 C5 C6 C7 -0.6(7) . . . . ? C5 C6 C7 C2 1.3(7) . . . . ? C3 C2 C7 C6 -2.0(6) . . . . ? C1 C2 C7 C6 179.0(4) . . . . ? N1 C9 C10 C11 31.2(5) . . . . ? N2 C9 C10 C11 -84.3(4) . . . . ? N1 C9 C10 C15 -152.2(3) . . . . ? N2 C9 C10 C15 92.3(4) . . . . ? C15 C10 C11 C12 2.2(5) . . . . ? C9 C10 C11 C12 178.7(3) . . . . ? C10 C11 C12 C13 -2.3(5) . . . . ? C11 C12 C13 C14 0.3(5) . . . . ? C12 C13 C14 C15 1.6(6) . . . . ? C13 C14 C15 C10 -1.6(6) . . . . ? C11 C10 C15 C14 -0.3(5) . . . . ? C9 C10 C15 C14 -176.9(3) . . . . ? C22 C17 C18 C19 -0.9(5) . . . . ? S1 C17 C18 C19 177.9(3) . . . . ? C17 C18 C19 C20 0.1(5) . . . . ? C18 C19 C20 C21 1.2(5) . . . . ? C19 C20 C21 C22 -1.8(6) . . . . ? C20 C21 C22 C17 1.0(6) . . . . ? C18 C17 C22 C21 0.3(5) . . . . ? S1 C17 C22 C21 -178.4(3) . . . . ? O6 C1 N1 C9 5.9(4) . . . . ? C2 C1 N1 C9 -173.7(4) . . . . ? O6 C1 N1 Pt1 172.1(2) . . . . ? C2 C1 N1 Pt1 -7.4(6) . . . . ? N2 C9 N1 C1 -19.5(4) . . . . ? C10 C9 N1 C1 -138.7(3) . . . . ? N2 C9 N1 Pt1 172.5(2) . . . . ? C10 C9 N1 Pt1 53.3(4) . . . . ? N1 C9 N2 C8 137.7(3) . . . . ? C10 C9 N2 C8 -98.1(4) . . . . ? N1 C9 N2 O6 24.5(3) . . . . ? C10 C9 N2 O6 148.7(3) . . . . ? N1 C1 O6 N2 10.5(4) . . . . ? C2 C1 O6 N2 -169.9(3) . . . . ? C9 N2 O6 C1 -22.0(3) . . . . ? C8 N2 O6 C1 -140.0(3) . . . . ? C18 C17 S1 O5 -8.9(3) . . . . ? C22 C17 S1 O5 169.8(3) . . . . ? C18 C17 S1 C16 104.2(3) . . . . ? C22 C17 S1 C16 -77.0(3) . . . . ? C18 C17 S1 Pt1 -136.5(2) . . . . ? C22 C17 S1 Pt1 42.3(3) . . . . ? C1 N1 Pt1 S1 73.5(3) . . . . ? C9 N1 Pt1 S1 -121.7(2) . . . . ? C1 N1 Pt1 Cl1 -120.6(8) . . . . ? C9 N1 Pt1 Cl1 44.2(10) . . . . ? C1 N1 Pt1 Cl2 -103.7(3) . . . . ? C9 N1 Pt1 Cl2 61.1(2) . . . . ? O5 S1 Pt1 N1 -16.72(14) . . . . ? C16 S1 Pt1 N1 -139.61(15) . . . . ? C17 S1 Pt1 N1 106.61(14) . . . . ? O5 S1 Pt1 Cl1 164.52(12) . . . . ? C16 S1 Pt1 Cl1 41.63(14) . . . . ? C17 S1 Pt1 Cl1 -72.15(12) . . . . ? O5 S1 Pt1 Cl2 53.0(6) . . . . ? C16 S1 Pt1 Cl2 -69.9(6) . . . . ? C17 S1 Pt1 Cl2 176.3(5) . . . . ? _diffrn_measured_fraction_theta_max 0.990 _diffrn_reflns_theta_full 25.52 _diffrn_measured_fraction_theta_full 0.990 _refine_diff_density_max 0.898 _refine_diff_density_min -1.202 _refine_diff_density_rms 0.110