# Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2006 data_global _journal_name_full Chem.Commun. _journal_coden_Cambridge 0182 _publ_contact_author_name 'Gregory J. Grant' _publ_contact_author_address ;Department of Chemistry The University of Tennessee at Chattanooga 615 McCallie Avenue Chattanooga, TN 37403 ; _publ_contact_author_email Greg-Grant@utc.edu _publ_contact_author_phone 423-425-4143 _publ_contact_author_fax 423-425-5234 loop_ _publ_author_name _publ_author_address G.J.Grant ;Department of Chemistry The University of Tennessee at Chattanooga 615 McCallie Avenue Chattanooga, TN 37403 ; D.E.Janzen ;Department of Chemistry The University of Tennessee at Chattanooga 615 McCallie Avenue Chattanooga, TN 37403 ; K.N.Patel ;Department of Chemistry The University of Tennessee at Chattanooga 615 McCallie Avenue Chattanooga, TN 37403 ; D.G.VanDerveer ;Department of Chemistry Clemson University P.O. Box 340973 Clemson, SC 29634-0973 ; _publ_section_title ; Synthesis and Structure of a Platinum(II) Molecular Square Incorporating Four Fluxional Thiacrown Ligands, "A Nanowagon": The Crystal Structure of [Pt4([9]aneS3)4(4,4'-bipy)4](OTf)8 ; data_squarerev _database_code_depnum_ccdc_archive 'CCDC 609042' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C64 H80 N8 Pt4 S12, 8(C F3 O3 S)' _chemical_formula_sum 'C72 H80 F24 N8 O24 Pt4 S20' _chemical_formula_weight 3319.00 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' 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' O O 0.0106 0.0060 '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' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'C 2/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 33.022(7) _cell_length_b 13.987(3) _cell_length_c 26.107(5) _cell_angle_alpha 90.00 _cell_angle_beta 95.24(3) _cell_angle_gamma 90.00 _cell_volume 12008(4) _cell_formula_units_Z 4 _cell_measurement_temperature 183(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description block _exptl_crystal_colour orange _exptl_crystal_size_max 0.19 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.12 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.836 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 6432 _exptl_absorpt_coefficient_mu 5.093 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.4178 _exptl_absorpt_correction_T_max 0.5453 _exptl_absorpt_process_details 'REQAB, subroutine of CrystalClear, Rigaku/MSC, The Woodlands, TX, 1999.' _exptl_special_details ; ? ; _diffrn_ambient_temperature 183(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type CCD _diffrn_measurement_method 'omega scans' _diffrn_detector_area_resol_mean 14.6199 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 40509 _diffrn_reflns_av_R_equivalents 0.0852 _diffrn_reflns_av_sigmaI/netI 0.0607 _diffrn_reflns_limit_h_min -39 _diffrn_reflns_limit_h_max 39 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min -31 _diffrn_reflns_limit_l_max 31 _diffrn_reflns_theta_min 2.79 _diffrn_reflns_theta_max 25.10 _reflns_number_total 10663 _reflns_number_gt 8769 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _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^)+(0.1336P)^2^+114.3454P] 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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 10663 _refine_ls_number_parameters 692 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0907 _refine_ls_R_factor_gt 0.0780 _refine_ls_wR_factor_ref 0.2100 _refine_ls_wR_factor_gt 0.2006 _refine_ls_goodness_of_fit_ref 1.076 _refine_ls_restrained_S_all 1.076 _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 Pt1 Pt 0.225163(12) 0.84789(3) 0.272776(16) 0.03707(16) Uani 1 1 d . A . S1 S 0.24282(11) 1.0608(2) 0.27653(15) 0.0588(8) Uani 1 1 d . . . Pt2 Pt 0.002538(13) 0.75053(3) 0.563532(14) 0.03375(16) Uani 1 1 d . . . C1 C 0.2791(5) 1.0490(10) 0.2291(5) 0.063(4) Uani 1 1 d . A . H1A H 0.2799 1.1106 0.2106 0.075 Uiso 1 1 calc R . . H1B H 0.3062 1.0394 0.2477 0.075 Uiso 1 1 calc R . . C2 C 0.2726(6) 0.9726(12) 0.1904(7) 0.081(5) Uani 1 1 d . . . H2A H 0.2951 0.9764 0.1679 0.097 Uiso 1 1 calc R A . H2B H 0.2472 0.9876 0.1688 0.097 Uiso 1 1 calc R . . S2 S 0.26919(11) 0.8485(3) 0.21141(15) 0.0554(8) Uani 1 1 d . A . S3 S 0.27796(11) 0.8419(3) 0.33425(17) 0.0625(10) Uani 1 1 d . . . C3 C 0.3182(5) 0.8262(12) 0.2452(9) 0.082(6) Uani 0.479(19) 1 d P A 1 H3A H 0.3334 0.7827 0.2240 0.099 Uiso 0.479(19) 1 calc PR A 1 H3B H 0.3333 0.8875 0.2481 0.099 Uiso 0.479(19) 1 calc PR A 1 C4 C 0.3184(10) 0.787(3) 0.2940(19) 0.086(9) Uani 0.479(19) 1 d P A 1 H4A H 0.3457 0.7965 0.3125 0.103 Uiso 0.479(19) 1 calc PR A 1 H4B H 0.3136 0.7174 0.2908 0.103 Uiso 0.479(19) 1 calc PR A 1 C5 C 0.3010(12) 0.957(3) 0.3380(11) 0.078(8) Uani 0.479(19) 1 d P A 1 H5A H 0.3191 0.9603 0.3703 0.094 Uiso 0.479(19) 1 calc PR A 1 H5B H 0.3185 0.9629 0.3093 0.094 Uiso 0.479(19) 1 calc PR A 1 C6 C 0.2732(6) 1.0451(14) 0.3363(6) 0.086(5) Uani 0.479(19) 1 d P A 1 H6A H 0.2901 1.1028 0.3432 0.103 Uiso 0.479(19) 1 calc PR A 1 H6B H 0.2549 1.0395 0.3642 0.103 Uiso 0.479(19) 1 calc PR A 1 C3' C 0.3182(5) 0.8262(12) 0.2452(9) 0.082(6) Uani 0.521(19) 1 d P A 2 H3'A H 0.3250 0.7580 0.2407 0.099 Uiso 0.521(19) 1 calc PR A 2 H3'B H 0.3387 0.8643 0.2285 0.099 Uiso 0.521(19) 1 calc PR A 2 C4' C 0.3229(9) 0.849(3) 0.3030(18) 0.086(9) Uani 0.521(19) 1 d P A 2 H4'A H 0.3343 0.9139 0.3077 0.103 Uiso 0.521(19) 1 calc PR A 2 H4'B H 0.3430 0.8036 0.3200 0.103 Uiso 0.521(19) 1 calc PR A 2 C5' C 0.2723(11) 0.957(2) 0.3670(10) 0.078(8) Uani 0.521(19) 1 d P A 2 H5'A H 0.2462 0.9555 0.3829 0.094 Uiso 0.521(19) 1 calc PR A 2 H5'B H 0.2943 0.9615 0.3954 0.094 Uiso 0.521(19) 1 calc PR A 2 C6' C 0.2732(6) 1.0451(14) 0.3363(6) 0.086(5) Uani 0.521(19) 1 d P A 2 H6'A H 0.3018 1.0551 0.3292 0.103 Uiso 0.521(19) 1 calc PR A 2 H6'B H 0.2662 1.0982 0.3590 0.103 Uiso 0.521(19) 1 calc PR A 2 S4 S 0.00627(11) 0.5281(2) 0.57242(11) 0.0472(7) Uani 1 1 d . . . C12 C -0.0364(4) 0.5297(9) 0.6119(5) 0.055(3) Uani 1 1 d . . . H12A H -0.0513 0.4685 0.6065 0.066 Uiso 1 1 calc R . . H12B H -0.0253 0.5316 0.6484 0.066 Uiso 1 1 calc R . . C11 C -0.0661(4) 0.6082(10) 0.6033(5) 0.054(3) Uani 1 1 d . . . H11A H -0.0878 0.5970 0.6263 0.065 Uiso 1 1 calc R . . H11B H -0.0788 0.6020 0.5676 0.065 Uiso 1 1 calc R . . S6 S -0.04976(10) 0.7311(2) 0.61199(12) 0.0465(7) Uani 1 1 d . . . C10 C -0.0271(5) 0.7342(12) 0.6779(4) 0.067(4) Uani 1 1 d . . . H10A H -0.0292 0.8002 0.6910 0.080 Uiso 1 1 calc R . . H10B H -0.0433 0.6925 0.6989 0.080 Uiso 1 1 calc R . . C9 C 0.0154(4) 0.7041(9) 0.6856(4) 0.049(3) Uani 1 1 d . . . H9A H 0.0161 0.6339 0.6905 0.059 Uiso 1 1 calc R . . H9B H 0.0278 0.7336 0.7178 0.059 Uiso 1 1 calc R . . S5 S 0.04713(10) 0.7347(2) 0.63305(11) 0.0455(7) Uani 1 1 d . . . C8 C 0.0735(4) 0.6234(10) 0.6262(5) 0.051(3) Uani 1 1 d . . . H8A H 0.0897 0.6298 0.5963 0.062 Uiso 1 1 calc R . . H8B H 0.0931 0.6156 0.6571 0.062 Uiso 1 1 calc R . . C7 C 0.0493(4) 0.5322(9) 0.6194(4) 0.052(3) Uani 1 1 d . . . H7A H 0.0397 0.5158 0.6531 0.062 Uiso 1 1 calc R . . H7B H 0.0683 0.4810 0.6108 0.062 Uiso 1 1 calc R . . N2 N 0.1847(3) 0.8322(6) 0.3283(3) 0.036(2) Uani 1 1 d . . . C22 C 0.1895(4) 0.7560(8) 0.3609(4) 0.044(3) Uani 1 1 d . A . H22A H 0.2111 0.7120 0.3583 0.053 Uiso 1 1 calc R . . C21 C 0.1630(4) 0.7439(8) 0.3970(5) 0.047(3) Uani 1 1 d . . . H21A H 0.1655 0.6885 0.4181 0.057 Uiso 1 1 calc R A . C20 C 0.1319(4) 0.8104(9) 0.4045(4) 0.041(3) Uani 1 1 d . A . C19 C 0.1304(4) 0.8877(9) 0.3715(5) 0.047(3) Uani 1 1 d . . . H19A H 0.1104 0.9357 0.3747 0.057 Uiso 1 1 calc R A . C18 C 0.1566(3) 0.8973(8) 0.3345(4) 0.039(2) Uani 1 1 d . A . H18A H 0.1547 0.9519 0.3127 0.047 Uiso 1 1 calc R . . C25 C 0.1045(3) 0.7963(8) 0.4449(4) 0.037(2) Uani 1 1 d . . . C26 C 0.0903(4) 0.7076(7) 0.4568(4) 0.039(2) Uani 1 1 d . A . H26A H 0.0988 0.6530 0.4390 0.047 Uiso 1 1 calc R . . C27 C 0.0648(4) 0.6972(8) 0.4931(5) 0.044(3) Uani 1 1 d . . . H27A H 0.0577 0.6342 0.5026 0.053 Uiso 1 1 calc R A . N3 N 0.0485(3) 0.7724(6) 0.5173(3) 0.0326(18) Uani 1 1 d . A . C23 C 0.0618(4) 0.8601(9) 0.5050(4) 0.045(3) Uani 1 1 d . . . H23A H 0.0515 0.9142 0.5217 0.054 Uiso 1 1 calc R A . C24 C 0.0888(4) 0.8746(8) 0.4706(4) 0.045(3) Uani 1 1 d . A . H24A H 0.0974 0.9376 0.4636 0.054 Uiso 1 1 calc R . . N1 N 0.1774(3) 0.8397(6) 0.2159(3) 0.0319(18) Uani 1 1 d . . . C17 C 0.1612(4) 0.9155(8) 0.1916(4) 0.043(3) Uani 1 1 d . A . H17A H 0.1703 0.9771 0.2027 0.052 Uiso 1 1 calc R . . C16 C 0.1321(4) 0.9093(8) 0.1514(4) 0.045(3) Uani 1 1 d . . . H16A H 0.1206 0.9657 0.1359 0.054 Uiso 1 1 calc R A . C15 C 0.1189(4) 0.8180(7) 0.1329(4) 0.038(2) Uani 1 1 d . A . C14 C 0.1349(4) 0.7402(8) 0.1603(5) 0.047(3) Uani 1 1 d . . . H14A H 0.1259 0.6777 0.1507 0.056 Uiso 1 1 calc R A . C13 C 0.1634(4) 0.7519(7) 0.2012(4) 0.042(3) Uani 1 1 d . A . H13A H 0.1737 0.6973 0.2197 0.050 Uiso 1 1 calc R . . S10 S -0.00710(11) 0.9968(2) 0.62660(13) 0.0526(8) Uani 1 1 d . . . O12 O -0.0491(3) 0.9744(7) 0.6141(4) 0.065(3) Uani 1 1 d . . . O11 O 0.0124(4) 0.9366(7) 0.6657(5) 0.089(4) Uani 1 1 d . . . O10 O 0.0150(5) 1.0114(11) 0.5840(6) 0.112(5) Uani 1 1 d . . . C36 C -0.0060(4) 1.1108(10) 0.6590(5) 0.056(3) Uani 1 1 d . . . F1 F 0.0304(3) 1.1392(6) 0.6762(4) 0.072(2) Uani 1 1 d . . . F2 F -0.0222(3) 1.1807(6) 0.6261(4) 0.082(3) Uani 1 1 d . . . F3 F -0.0287(4) 1.1135(8) 0.6962(4) 0.098(4) Uani 1 1 d . . . S9 S -0.09729(9) 0.4754(2) 0.73332(11) 0.0442(6) Uani 1 1 d . . . O9 O -0.1192(3) 0.4661(7) 0.7776(4) 0.060(2) Uani 1 1 d . . . O8 O -0.0633(3) 0.5393(7) 0.7390(4) 0.070(3) Uani 1 1 d . . . O7 O -0.1220(4) 0.4809(10) 0.6858(4) 0.088(4) Uani 1 1 d . . . C35 C -0.0730(5) 0.3601(10) 0.7291(6) 0.062(4) Uani 1 1 d . . . F4 F -0.0492(4) 0.3568(7) 0.6922(5) 0.112(4) Uani 1 1 d . . . F5 F -0.0513(4) 0.3399(8) 0.7720(5) 0.102(4) Uani 1 1 d . . . F6 F -0.0993(4) 0.2898(7) 0.7228(5) 0.104(4) Uani 1 1 d . . . S8 S 0.32676(17) 0.6382(3) 0.40920(17) 0.0817(14) Uani 1 1 d . . . O6 O 0.3483(5) 0.7294(10) 0.4121(6) 0.097(4) Uani 1 1 d . . . O5 O 0.3507(6) 0.5604(11) 0.4319(6) 0.134(7) Uani 1 1 d . . . O4 O 0.3022(5) 0.6180(10) 0.3630(5) 0.115(5) Uani 1 1 d . . . C34 C 0.2880(5) 0.6500(15) 0.4528(8) 0.085(6) Uani 1 1 d . . . F7 F 0.3026(5) 0.6569(12) 0.4999(4) 0.136(6) Uani 1 1 d . . . F8 F 0.2663(4) 0.7290(12) 0.4434(6) 0.140(6) Uani 1 1 d . . . F9 F 0.2630(8) 0.5781(18) 0.4506(9) 0.237(13) Uani 1 1 d . . . S7 S 0.13039(10) 0.4345(2) 0.52641(12) 0.0500(7) Uani 1 1 d . . . O3 O 0.1324(4) 0.3405(7) 0.5029(4) 0.070(3) Uani 1 1 d . . . O2 O 0.0947(3) 0.4893(7) 0.5096(4) 0.060(2) Uani 1 1 d . . . O1 O 0.1415(3) 0.4401(8) 0.5802(4) 0.074(3) Uani 1 1 d . . . C33 C 0.1689(6) 0.4996(12) 0.4991(7) 0.077(5) Uani 1 1 d . . . F10 F 0.2063(3) 0.4570(9) 0.5107(5) 0.104(4) Uani 1 1 d . . . F11 F 0.1643(4) 0.5007(9) 0.4471(4) 0.097(3) Uani 1 1 d . . . F12 F 0.1725(4) 0.5887(6) 0.5145(4) 0.093(3) Uani 1 1 d . . . N4 N 0.0379(3) 0.7728(6) -0.0002(3) 0.036(2) Uani 1 1 d . . . C32 C 0.0620(3) 0.8508(8) 0.0035(4) 0.038(2) Uani 1 1 d . . . H32A H 0.0605 0.8951 -0.0242 0.045 Uiso 1 1 calc R . . C31 C 0.0891(3) 0.8687(8) 0.0464(4) 0.039(2) Uani 1 1 d . A . H31A H 0.1062 0.9233 0.0479 0.047 Uiso 1 1 calc R . . C30 C 0.0903(3) 0.8043(7) 0.0869(3) 0.030(2) Uani 1 1 d . . . C29 C 0.0625(4) 0.7282(8) 0.0846(5) 0.044(3) Uani 1 1 d . A . H29A H 0.0610 0.6867 0.1132 0.053 Uiso 1 1 calc R . . C28 C 0.0379(4) 0.7155(8) 0.0410(4) 0.042(3) Uani 1 1 d . . . H28A H 0.0196 0.6629 0.0393 0.050 Uiso 1 1 calc R A . 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 0.0337(2) 0.0364(3) 0.0409(3) 0.00215(17) 0.00257(18) -0.00529(16) S1 0.060(2) 0.0449(18) 0.071(2) -0.0081(16) 0.0042(16) -0.0102(15) Pt2 0.0429(3) 0.0299(2) 0.0286(2) 0.00411(14) 0.00433(17) 0.00279(16) C1 0.079(10) 0.047(7) 0.060(8) 0.001(6) -0.006(7) -0.027(7) C2 0.084(11) 0.073(11) 0.095(12) 0.013(9) 0.049(10) -0.018(9) S2 0.0483(17) 0.0537(19) 0.067(2) -0.0074(15) 0.0229(15) -0.0078(14) S3 0.0459(18) 0.0529(19) 0.085(3) 0.0236(18) -0.0162(17) -0.0118(14) C3 0.042(8) 0.055(9) 0.148(18) 0.008(10) 0.000(9) 0.002(6) C4 0.046(11) 0.062(16) 0.15(2) 0.022(19) -0.016(14) -0.019(13) C5 0.099(19) 0.095(17) 0.034(10) 0.021(11) -0.036(10) -0.041(15) C6 0.111(14) 0.088(13) 0.057(9) -0.036(9) 0.006(9) -0.010(11) C3' 0.042(8) 0.055(9) 0.148(18) 0.008(10) 0.000(9) 0.002(6) C4' 0.046(11) 0.062(16) 0.15(2) 0.022(19) -0.016(14) -0.019(13) C5' 0.099(19) 0.095(17) 0.034(10) 0.021(11) -0.036(10) -0.041(15) C6' 0.111(14) 0.088(13) 0.057(9) -0.036(9) 0.006(9) -0.010(11) S4 0.069(2) 0.0336(15) 0.0397(14) -0.0048(11) 0.0101(13) -0.0039(13) C12 0.069(8) 0.037(6) 0.059(7) 0.011(6) 0.015(6) -0.018(6) C11 0.062(8) 0.064(8) 0.037(6) 0.002(6) 0.007(5) -0.031(7) S6 0.0545(18) 0.0494(16) 0.0375(15) 0.0039(12) 0.0145(13) 0.0024(14) C10 0.084(10) 0.099(12) 0.020(5) -0.015(6) 0.014(6) -0.037(9) C9 0.073(9) 0.044(7) 0.030(5) 0.014(5) 0.005(5) 0.015(6) S5 0.0565(18) 0.0418(15) 0.0357(14) -0.0035(11) -0.0092(13) 0.0000(13) C8 0.058(8) 0.055(7) 0.040(6) 0.006(5) 0.000(6) 0.010(6) C7 0.076(9) 0.046(7) 0.034(6) 0.005(5) 0.009(6) 0.019(6) N2 0.047(5) 0.028(4) 0.036(5) 0.003(3) 0.010(4) -0.003(4) C22 0.051(7) 0.049(7) 0.033(6) 0.002(5) 0.002(5) 0.015(5) C21 0.053(7) 0.040(6) 0.050(7) 0.012(5) 0.012(6) 0.006(5) C20 0.045(6) 0.046(6) 0.032(5) 0.010(5) -0.002(5) -0.006(5) C19 0.049(7) 0.040(6) 0.055(7) 0.001(5) 0.012(6) -0.005(5) C18 0.045(6) 0.028(5) 0.046(6) 0.009(4) 0.008(5) -0.006(5) C25 0.029(5) 0.035(6) 0.045(6) 0.009(5) 0.001(4) -0.001(4) C26 0.052(7) 0.021(5) 0.045(6) -0.003(4) 0.006(5) 0.010(5) C27 0.060(7) 0.025(5) 0.051(7) 0.008(5) 0.024(6) -0.002(5) N3 0.044(5) 0.026(4) 0.029(4) 0.007(3) 0.006(4) -0.001(4) C23 0.054(7) 0.041(6) 0.044(6) -0.006(5) 0.022(5) -0.006(5) C24 0.056(7) 0.035(6) 0.043(6) 0.003(5) 0.010(5) -0.010(5) N1 0.032(4) 0.035(5) 0.028(4) 0.001(3) -0.003(3) -0.009(3) C17 0.058(7) 0.030(5) 0.041(6) -0.004(4) -0.002(5) -0.011(5) C16 0.066(8) 0.031(6) 0.033(5) 0.002(4) -0.027(5) -0.011(5) C15 0.052(6) 0.019(5) 0.042(6) -0.003(4) 0.003(5) -0.008(4) C14 0.066(8) 0.033(6) 0.039(6) -0.001(5) -0.007(6) 0.003(5) C13 0.058(7) 0.029(6) 0.035(6) 0.000(4) -0.008(5) 0.003(5) S10 0.064(2) 0.0353(15) 0.0600(19) -0.0054(13) 0.0156(15) 0.0031(14) O12 0.072(7) 0.046(5) 0.079(7) -0.012(5) 0.012(5) -0.011(5) O11 0.110(10) 0.047(6) 0.103(9) 0.006(6) -0.031(8) 0.005(6) O10 0.124(12) 0.093(10) 0.132(12) -0.020(9) 0.082(10) -0.026(9) C36 0.061(8) 0.052(8) 0.056(8) -0.009(6) 0.010(6) -0.010(6) F1 0.076(6) 0.061(5) 0.077(6) -0.004(4) -0.004(5) -0.015(4) F2 0.105(7) 0.042(4) 0.094(7) 0.001(4) -0.019(6) 0.015(5) F3 0.125(9) 0.084(7) 0.094(7) -0.040(6) 0.058(7) -0.018(6) S9 0.0469(15) 0.0420(15) 0.0448(15) 0.0033(12) 0.0107(12) 0.0033(12) O9 0.064(6) 0.058(6) 0.060(6) 0.010(4) 0.024(5) 0.008(5) O8 0.084(7) 0.052(6) 0.077(7) -0.011(5) 0.022(5) -0.030(5) O7 0.086(8) 0.121(10) 0.057(6) 0.028(6) 0.006(6) 0.002(7) C35 0.070(9) 0.051(8) 0.068(9) 0.020(7) 0.027(8) -0.005(7) F4 0.163(11) 0.061(6) 0.127(9) -0.009(6) 0.099(9) 0.020(6) F5 0.107(8) 0.085(7) 0.120(9) 0.050(6) 0.032(7) 0.045(6) F6 0.155(11) 0.048(5) 0.118(9) -0.018(5) 0.056(8) -0.033(6) S8 0.112(4) 0.057(2) 0.072(3) -0.0154(19) -0.012(2) 0.031(2) O6 0.104(10) 0.082(9) 0.108(11) -0.006(8) 0.024(8) -0.001(8) O5 0.183(16) 0.096(10) 0.116(11) -0.022(9) -0.029(11) 0.092(11) O4 0.178(16) 0.093(9) 0.069(8) -0.044(7) -0.015(9) 0.005(10) C34 0.049(8) 0.101(14) 0.099(13) 0.045(11) -0.024(9) 0.000(8) F7 0.124(11) 0.219(17) 0.065(7) 0.009(8) 0.008(7) 0.057(11) F8 0.105(10) 0.192(15) 0.124(11) 0.039(10) 0.024(8) 0.075(10) F9 0.25(2) 0.22(2) 0.23(2) 0.077(18) -0.014(19) -0.15(2) S7 0.0570(18) 0.0429(16) 0.0487(16) 0.0039(13) -0.0028(14) 0.0012(14) O3 0.087(8) 0.037(5) 0.088(7) -0.005(5) 0.007(6) 0.006(5) O2 0.052(5) 0.050(5) 0.077(6) -0.002(5) -0.002(5) 0.013(4) O1 0.084(7) 0.082(7) 0.054(6) 0.013(5) -0.010(5) -0.028(6) C33 0.089(12) 0.063(10) 0.073(10) 0.008(8) -0.028(9) -0.001(8) F10 0.076(7) 0.105(9) 0.132(10) 0.021(7) 0.019(6) 0.008(6) F11 0.115(8) 0.123(9) 0.055(5) 0.004(5) 0.025(5) 0.000(7) F12 0.123(9) 0.048(5) 0.106(8) -0.003(5) -0.002(7) -0.031(5) N4 0.054(5) 0.028(4) 0.026(4) -0.018(3) 0.010(4) -0.024(4) C32 0.044(6) 0.038(6) 0.029(5) -0.001(4) -0.005(4) -0.004(5) C31 0.043(6) 0.034(6) 0.040(6) -0.003(4) 0.004(5) -0.010(5) C30 0.037(5) 0.030(5) 0.023(4) 0.002(4) 0.005(4) -0.003(4) C29 0.049(7) 0.042(6) 0.040(6) 0.008(5) -0.002(5) -0.006(5) C28 0.050(7) 0.037(6) 0.037(6) 0.005(5) -0.001(5) -0.005(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 Pt1 N1 2.070(8) . ? Pt1 N2 2.071(9) . ? Pt1 S2 2.259(3) . ? Pt1 S3 2.261(3) . ? S1 C6 1.789(18) . ? S1 C1 1.806(16) . ? Pt2 N3 2.046(9) . ? Pt2 N4 2.051(9) 2 ? Pt2 S5 2.241(3) . ? Pt2 S6 2.248(3) . ? C1 C2 1.47(2) . ? C1 H1A 0.9900 . ? C1 H1B 0.9900 . ? C2 S2 1.827(17) . ? C2 H2A 0.9900 . ? C2 H2B 0.9900 . ? S2 C3 1.799(16) . ? S3 C4' 1.76(4) . ? S3 C5 1.78(3) . ? S3 C5' 1.84(4) . ? S3 C4 1.93(5) . ? C3 C4 1.39(5) . ? C3 H3A 0.9900 . ? C3 H3B 0.9900 . ? C4 H4A 0.9900 . ? C4 H4B 0.9900 . ? C5 C6 1.53(4) . ? C5 H5A 0.9900 . ? C5 H5B 0.9900 . ? C6 H6A 0.9900 . ? C6 H6B 0.9900 . ? C4' H4'A 0.9900 . ? C4' H4'B 0.9900 . ? C5' H5'A 0.9900 . ? C5' H5'B 0.9900 . ? S4 C7 1.792(13) . ? S4 C12 1.821(14) . ? C12 C11 1.48(2) . ? C12 H12A 0.9900 . ? C12 H12B 0.9900 . ? C11 S6 1.811(13) . ? C11 H11A 0.9900 . ? C11 H11B 0.9900 . ? S6 C10 1.813(13) . ? C10 C9 1.46(2) . ? C10 H10A 0.9900 . ? C10 H10B 0.9900 . ? C9 S5 1.852(13) . ? C9 H9A 0.9900 . ? C9 H9B 0.9900 . ? S5 C8 1.801(13) . ? C8 C7 1.507(19) . ? C8 H8A 0.9900 . ? C8 H8B 0.9900 . ? C7 H7A 0.9900 . ? C7 H7B 0.9900 . ? N2 C18 1.319(15) . ? N2 C22 1.364(14) . ? C22 C21 1.352(18) . ? C22 H22A 0.9500 . ? C21 C20 1.413(17) . ? C21 H21A 0.9500 . ? C20 C19 1.381(16) . ? C20 C25 1.465(16) . ? C19 C18 1.362(17) . ? C19 H19A 0.9500 . ? C18 H18A 0.9500 . ? C25 C26 1.371(16) . ? C25 C24 1.407(17) . ? C26 C27 1.331(16) . ? C26 H26A 0.9500 . ? C27 N3 1.364(14) . ? C27 H27A 0.9500 . ? N3 C23 1.353(14) . ? C23 C24 1.336(17) . ? C23 H23A 0.9500 . ? C24 H24A 0.9500 . ? N1 C17 1.323(14) . ? N1 C13 1.354(13) . ? C17 C16 1.358(15) . ? C17 H17A 0.9500 . ? C16 C15 1.420(14) . ? C16 H16A 0.9500 . ? C15 C14 1.381(15) . ? C15 C30 1.472(14) . ? C14 C13 1.369(17) . ? C14 H14A 0.9500 . ? C13 H13A 0.9500 . ? S10 O10 1.400(13) . ? S10 O12 1.430(11) . ? S10 O11 1.430(11) . ? S10 C36 1.805(14) . ? C36 F3 1.281(17) . ? C36 F1 1.307(16) . ? C36 F2 1.376(17) . ? S9 O7 1.423(11) . ? S9 O9 1.424(9) . ? S9 O8 1.433(10) . ? S9 C35 1.808(15) . ? C35 F4 1.297(17) . ? C35 F5 1.306(19) . ? C35 F6 1.312(18) . ? S8 O4 1.420(13) . ? S8 O5 1.439(13) . ? S8 O6 1.459(15) . ? S8 C34 1.80(2) . ? C34 F7 1.28(2) . ? C34 F9 1.30(2) . ? C34 F8 1.33(2) . ? S7 O1 1.421(10) . ? S7 O2 1.441(9) . ? S7 O3 1.455(10) . ? S7 C33 1.77(2) . ? C33 F12 1.312(19) . ? C33 F11 1.353(18) . ? C33 F10 1.38(2) . ? N4 C28 1.342(14) . ? N4 C32 1.350(13) . ? N4 Pt2 2.051(9) 2 ? C32 C31 1.389(15) . ? C32 H32A 0.9500 . ? C31 C30 1.386(14) . ? C31 H31A 0.9500 . ? C30 C29 1.403(15) . ? C29 C28 1.349(16) . ? C29 H29A 0.9500 . ? C28 H28A 0.9500 . ? 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 N2 89.9(4) . . ? N1 Pt1 S2 89.4(3) . . ? N2 Pt1 S2 174.1(3) . . ? N1 Pt1 S3 174.6(3) . . ? N2 Pt1 S3 90.3(3) . . ? S2 Pt1 S3 89.95(15) . . ? C6 S1 C1 103.5(8) . . ? N3 Pt2 N4 87.9(4) . 2 ? N3 Pt2 S5 91.4(3) . . ? N4 Pt2 S5 176.9(3) 2 . ? N3 Pt2 S6 177.3(2) . . ? N4 Pt2 S6 89.7(3) 2 . ? S5 Pt2 S6 90.81(12) . . ? C2 C1 S1 118.2(10) . . ? C2 C1 H1A 107.7 . . ? S1 C1 H1A 107.7 . . ? C2 C1 H1B 107.7 . . ? S1 C1 H1B 107.7 . . ? H1A C1 H1B 107.1 . . ? C1 C2 S2 119.5(12) . . ? C1 C2 H2A 107.4 . . ? S2 C2 H2A 107.4 . . ? C1 C2 H2B 107.4 . . ? S2 C2 H2B 107.4 . . ? H2A C2 H2B 107.0 . . ? C3 S2 C2 103.5(8) . . ? C3 S2 Pt1 105.1(7) . . ? C2 S2 Pt1 106.1(5) . . ? C4' S3 C5 66.6(18) . . ? C4' S3 C5' 107.1(17) . . ? C5 S3 C4 94.4(18) . . ? C5' S3 C4 134.7(16) . . ? C4' S3 Pt1 107.3(13) . . ? C5 S3 Pt1 107.6(9) . . ? C5' S3 Pt1 101.1(9) . . ? C4 S3 Pt1 98.9(12) . . ? C4 C3 S2 116.6(18) . . ? C4 C3 H3A 108.1 . . ? S2 C3 H3A 108.1 . . ? C4 C3 H3B 108.1 . . ? S2 C3 H3B 108.1 . . ? H3A C3 H3B 107.3 . . ? C3 C4 S3 113(2) . . ? C3 C4 H4A 108.9 . . ? S3 C4 H4A 108.9 . . ? C3 C4 H4B 108.9 . . ? S3 C4 H4B 108.9 . . ? H4A C4 H4B 107.7 . . ? C6 C5 S3 118(2) . . ? C6 C5 H5A 107.8 . . ? S3 C5 H5A 107.8 . . ? C6 C5 H5B 107.8 . . ? S3 C5 H5B 107.8 . . ? H5A C5 H5B 107.1 . . ? C5 C6 S1 114.2(13) . . ? C5 C6 H6A 108.7 . . ? S1 C6 H6A 108.7 . . ? C5 C6 H6B 108.7 . . ? S1 C6 H6B 108.7 . . ? H6A C6 H6B 107.6 . . ? S3 C4' H4'A 108.4 . . ? S3 C4' H4'B 108.4 . . ? H4'A C4' H4'B 107.5 . . ? S3 C5' H5'A 107.8 . . ? S3 C5' H5'B 107.8 . . ? H5'A C5' H5'B 107.1 . . ? C7 S4 C12 102.7(6) . . ? C11 C12 S4 117.4(9) . . ? C11 C12 H12A 107.9 . . ? S4 C12 H12A 107.9 . . ? C11 C12 H12B 107.9 . . ? S4 C12 H12B 107.9 . . ? H12A C12 H12B 107.2 . . ? C12 C11 S6 120.1(9) . . ? C12 C11 H11A 107.3 . . ? S6 C11 H11A 107.3 . . ? C12 C11 H11B 107.3 . . ? S6 C11 H11B 107.3 . . ? H11A C11 H11B 106.9 . . ? C11 S6 C10 103.5(7) . . ? C11 S6 Pt2 106.2(5) . . ? C10 S6 Pt2 105.1(5) . . ? C9 C10 S6 115.6(9) . . ? C9 C10 H10A 108.4 . . ? S6 C10 H10A 108.4 . . ? C9 C10 H10B 108.4 . . ? S6 C10 H10B 108.4 . . ? H10A C10 H10B 107.4 . . ? C10 C9 S5 115.6(8) . . ? C10 C9 H9A 108.4 . . ? S5 C9 H9A 108.4 . . ? C10 C9 H9B 108.4 . . ? S5 C9 H9B 108.4 . . ? H9A C9 H9B 107.4 . . ? C8 S5 C9 100.7(6) . . ? C8 S5 Pt2 107.1(4) . . ? C9 S5 Pt2 104.4(4) . . ? C7 C8 S5 119.2(10) . . ? C7 C8 H8A 107.5 . . ? S5 C8 H8A 107.5 . . ? C7 C8 H8B 107.5 . . ? S5 C8 H8B 107.5 . . ? H8A C8 H8B 107.0 . . ? C8 C7 S4 119.2(8) . . ? C8 C7 H7A 107.5 . . ? S4 C7 H7A 107.5 . . ? C8 C7 H7B 107.5 . . ? S4 C7 H7B 107.5 . . ? H7A C7 H7B 107.0 . . ? C18 N2 C22 120.4(10) . . ? C18 N2 Pt1 121.1(7) . . ? C22 N2 Pt1 118.3(8) . . ? C21 C22 N2 119.1(11) . . ? C21 C22 H22A 120.4 . . ? N2 C22 H22A 120.4 . . ? C22 C21 C20 122.6(11) . . ? C22 C21 H21A 118.7 . . ? C20 C21 H21A 118.7 . . ? C19 C20 C21 114.5(11) . . ? C19 C20 C25 124.4(11) . . ? C21 C20 C25 121.1(10) . . ? C18 C19 C20 122.0(12) . . ? C18 C19 H19A 119.0 . . ? C20 C19 H19A 119.0 . . ? N2 C18 C19 121.2(10) . . ? N2 C18 H18A 119.4 . . ? C19 C18 H18A 119.4 . . ? C26 C25 C24 116.5(10) . . ? C26 C25 C20 122.0(11) . . ? C24 C25 C20 121.2(10) . . ? C27 C26 C25 120.8(10) . . ? C27 C26 H26A 119.6 . . ? C25 C26 H26A 119.6 . . ? C26 C27 N3 123.2(10) . . ? C26 C27 H27A 118.4 . . ? N3 C27 H27A 118.4 . . ? C23 N3 C27 116.0(9) . . ? C23 N3 Pt2 123.4(7) . . ? C27 N3 Pt2 120.3(7) . . ? C24 C23 N3 123.2(11) . . ? C24 C23 H23A 118.4 . . ? N3 C23 H23A 118.4 . . ? C23 C24 C25 120.0(11) . . ? C23 C24 H24A 120.0 . . ? C25 C24 H24A 120.0 . . ? C17 N1 C13 118.6(9) . . ? C17 N1 Pt1 123.3(7) . . ? C13 N1 Pt1 118.0(7) . . ? N1 C17 C16 123.1(10) . . ? N1 C17 H17A 118.5 . . ? C16 C17 H17A 118.5 . . ? C17 C16 C15 119.5(10) . . ? C17 C16 H16A 120.2 . . ? C15 C16 H16A 120.2 . . ? C14 C15 C16 116.2(10) . . ? C14 C15 C30 120.5(9) . . ? C16 C15 C30 123.3(9) . . ? C13 C14 C15 120.9(11) . . ? C13 C14 H14A 119.6 . . ? C15 C14 H14A 119.6 . . ? N1 C13 C14 121.4(10) . . ? N1 C13 H13A 119.3 . . ? C14 C13 H13A 119.3 . . ? O10 S10 O12 114.6(9) . . ? O10 S10 O11 114.8(10) . . ? O12 S10 O11 113.5(7) . . ? O10 S10 C36 104.7(8) . . ? O12 S10 C36 106.1(6) . . ? O11 S10 C36 101.4(7) . . ? F3 C36 F1 108.4(12) . . ? F3 C36 F2 103.4(13) . . ? F1 C36 F2 107.0(11) . . ? F3 C36 S10 113.2(10) . . ? F1 C36 S10 114.1(10) . . ? F2 C36 S10 110.2(9) . . ? O7 S9 O9 114.7(7) . . ? O7 S9 O8 116.0(7) . . ? O9 S9 O8 115.1(6) . . ? O7 S9 C35 102.6(8) . . ? O9 S9 C35 103.3(6) . . ? O8 S9 C35 102.3(7) . . ? F4 C35 F5 107.8(15) . . ? F4 C35 F6 108.6(14) . . ? F5 C35 F6 104.5(12) . . ? F4 C35 S9 112.4(9) . . ? F5 C35 S9 110.6(11) . . ? F6 C35 S9 112.6(12) . . ? O4 S8 O5 116.6(9) . . ? O4 S8 O6 117.1(10) . . ? O5 S8 O6 113.2(11) . . ? O4 S8 C34 99.9(10) . . ? O5 S8 C34 101.8(10) . . ? O6 S8 C34 104.9(9) . . ? F7 C34 F9 106.5(18) . . ? F7 C34 F8 105.3(19) . . ? F9 C34 F8 107.9(19) . . ? F7 C34 S8 112.8(12) . . ? F9 C34 S8 113(2) . . ? F8 C34 S8 111.2(13) . . ? O1 S7 O2 113.6(7) . . ? O1 S7 O3 116.7(7) . . ? O2 S7 O3 114.8(6) . . ? O1 S7 C33 103.9(7) . . ? O2 S7 C33 101.7(7) . . ? O3 S7 C33 103.6(8) . . ? F12 C33 F11 107.1(14) . . ? F12 C33 F10 106.9(14) . . ? F11 C33 F10 104.0(16) . . ? F12 C33 S7 114.5(15) . . ? F11 C33 S7 113.0(12) . . ? F10 C33 S7 110.6(11) . . ? C28 N4 C32 117.8(9) . . ? C28 N4 Pt2 120.6(7) . 2 ? C32 N4 Pt2 121.2(7) . 2 ? N4 C32 C31 122.4(10) . . ? N4 C32 H32A 118.8 . . ? C31 C32 H32A 118.8 . . ? C30 C31 C32 118.0(10) . . ? C30 C31 H31A 121.0 . . ? C32 C31 H31A 121.0 . . ? C31 C30 C29 119.2(9) . . ? C31 C30 C15 120.6(9) . . ? C29 C30 C15 120.2(9) . . ? C28 C29 C30 118.4(10) . . ? C28 C29 H29A 120.8 . . ? C30 C29 H29A 120.8 . . ? N4 C28 C29 123.7(11) . . ? N4 C28 H28A 118.1 . . ? C29 C28 H28A 118.1 . . ? 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 C6 S1 C1 C2 120.4(14) . . . . ? S1 C1 C2 S2 -57.2(18) . . . . ? C1 C2 S2 C3 -62.3(16) . . . . ? C1 C2 S2 Pt1 48.1(15) . . . . ? N1 Pt1 S2 C3 -166.4(6) . . . . ? S3 Pt1 S2 C3 8.3(6) . . . . ? N1 Pt1 S2 C2 84.3(7) . . . . ? S3 Pt1 S2 C2 -101.0(7) . . . . ? N2 Pt1 S3 C4' 177.8(13) . . . . ? S2 Pt1 S3 C4' 3.7(13) . . . . ? N2 Pt1 S3 C5 -111.9(15) . . . . ? S2 Pt1 S3 C5 74.0(15) . . . . ? N2 Pt1 S3 C5' -70.2(11) . . . . ? S2 Pt1 S3 C5' 115.7(11) . . . . ? N2 Pt1 S3 C4 150.6(12) . . . . ? S2 Pt1 S3 C4 -23.5(11) . . . . ? C2 S2 C3 C4 129(2) . . . . ? Pt1 S2 C3 C4 18(2) . . . . ? S2 C3 C4 S3 -41(3) . . . . ? C4' S3 C4 C3 -68(4) . . . . ? C5 S3 C4 C3 -66(2) . . . . ? C5' S3 C4 C3 -73(3) . . . . ? Pt1 S3 C4 C3 43(2) . . . . ? C4' S3 C5 C6 145(2) . . . . ? C5' S3 C5 C6 -44(2) . . . . ? C4 S3 C5 C6 144(2) . . . . ? Pt1 S3 C5 C6 43(2) . . . . ? S3 C5 C6 S1 -66(3) . . . . ? C1 S1 C6 C5 -49(2) . . . . ? C7 S4 C12 C11 121.6(10) . . . . ? S4 C12 C11 S6 -59.9(13) . . . . ? C12 C11 S6 C10 -57.2(12) . . . . ? C12 C11 S6 Pt2 53.2(10) . . . . ? N4 Pt2 S6 C11 82.8(5) 2 . . . ? S5 Pt2 S6 C11 -100.2(5) . . . . ? N4 Pt2 S6 C10 -167.9(6) 2 . . . ? S5 Pt2 S6 C10 9.1(6) . . . . ? C11 S6 C10 C9 84.4(12) . . . . ? Pt2 S6 C10 C9 -26.8(12) . . . . ? S6 C10 C9 S5 34.1(15) . . . . ? C10 C9 S5 C8 -134.6(11) . . . . ? C10 C9 S5 Pt2 -23.7(11) . . . . ? N3 Pt2 S5 C8 -69.9(6) . . . . ? S6 Pt2 S5 C8 111.5(5) . . . . ? N3 Pt2 S5 C9 -176.1(5) . . . . ? S6 Pt2 S5 C9 5.3(4) . . . . ? C9 S5 C8 C7 52.1(10) . . . . ? Pt2 S5 C8 C7 -56.7(10) . . . . ? S5 C8 C7 S4 48.7(13) . . . . ? C12 S4 C7 C8 -106.7(11) . . . . ? N1 Pt1 N2 C18 -64.4(9) . . . . ? S3 Pt1 N2 C18 121.0(8) . . . . ? N1 Pt1 N2 C22 120.2(9) . . . . ? S3 Pt1 N2 C22 -54.4(8) . . . . ? C18 N2 C22 C21 5.3(17) . . . . ? Pt1 N2 C22 C21 -179.2(9) . . . . ? N2 C22 C21 C20 -3.9(19) . . . . ? C22 C21 C20 C19 0.9(18) . . . . ? C22 C21 C20 C25 -178.3(12) . . . . ? C21 C20 C19 C18 0.9(17) . . . . ? C25 C20 C19 C18 -179.9(11) . . . . ? C22 N2 C18 C19 -3.7(17) . . . . ? Pt1 N2 C18 C19 -179.0(9) . . . . ? C20 C19 C18 N2 0.5(18) . . . . ? C19 C20 C25 C26 142.8(12) . . . . ? C21 C20 C25 C26 -38.2(16) . . . . ? C19 C20 C25 C24 -32.1(17) . . . . ? C21 C20 C25 C24 147.0(12) . . . . ? C24 C25 C26 C27 -3.7(16) . . . . ? C20 C25 C26 C27 -178.7(11) . . . . ? C25 C26 C27 N3 5.9(19) . . . . ? C26 C27 N3 C23 -4.5(18) . . . . ? C26 C27 N3 Pt2 169.8(10) . . . . ? N4 Pt2 N3 C23 82.7(9) 2 . . . ? S5 Pt2 N3 C23 -94.3(9) . . . . ? N4 Pt2 N3 C27 -91.2(9) 2 . . . ? S5 Pt2 N3 C27 91.8(9) . . . . ? C27 N3 C23 C24 1.3(18) . . . . ? Pt2 N3 C23 C24 -172.8(10) . . . . ? N3 C23 C24 C25 0.5(19) . . . . ? C26 C25 C24 C23 0.6(17) . . . . ? C20 C25 C24 C23 175.7(11) . . . . ? N2 Pt1 N1 C17 101.2(9) . . . . ? S2 Pt1 N1 C17 -84.6(9) . . . . ? N2 Pt1 N1 C13 -82.0(9) . . . . ? S2 Pt1 N1 C13 92.1(9) . . . . ? C13 N1 C17 C16 -2.2(19) . . . . ? Pt1 N1 C17 C16 174.5(10) . . . . ? N1 C17 C16 C15 -2(2) . . . . ? C17 C16 C15 C14 5.1(19) . . . . ? C17 C16 C15 C30 -174.5(12) . . . . ? C16 C15 C14 C13 -3.6(19) . . . . ? C30 C15 C14 C13 176.0(12) . . . . ? C17 N1 C13 C14 3.7(19) . . . . ? Pt1 N1 C13 C14 -173.1(10) . . . . ? C15 C14 C13 N1 -1(2) . . . . ? O10 S10 C36 F3 172.8(13) . . . . ? O12 S10 C36 F3 51.3(13) . . . . ? O11 S10 C36 F3 -67.5(14) . . . . ? O10 S10 C36 F1 -62.6(13) . . . . ? O12 S10 C36 F1 175.8(10) . . . . ? O11 S10 C36 F1 57.0(12) . . . . ? O10 S10 C36 F2 57.7(13) . . . . ? O12 S10 C36 F2 -63.9(11) . . . . ? O11 S10 C36 F2 177.4(11) . . . . ? O7 S9 C35 F4 64.6(14) . . . . ? O9 S9 C35 F4 -175.9(13) . . . . ? O8 S9 C35 F4 -56.0(14) . . . . ? O7 S9 C35 F5 -174.9(11) . . . . ? O9 S9 C35 F5 -55.4(12) . . . . ? O8 S9 C35 F5 64.5(11) . . . . ? O7 S9 C35 F6 -58.4(13) . . . . ? O9 S9 C35 F6 61.1(13) . . . . ? O8 S9 C35 F6 -179.0(11) . . . . ? O4 S8 C34 F7 171.8(15) . . . . ? O5 S8 C34 F7 51.6(18) . . . . ? O6 S8 C34 F7 -66.5(17) . . . . ? O4 S8 C34 F9 51.1(17) . . . . ? O5 S8 C34 F9 -69.0(17) . . . . ? O6 S8 C34 F9 172.8(15) . . . . ? O4 S8 C34 F8 -70.2(16) . . . . ? O5 S8 C34 F8 169.7(15) . . . . ? O6 S8 C34 F8 51.5(16) . . . . ? O1 S7 C33 F12 -58.5(13) . . . . ? O2 S7 C33 F12 59.7(12) . . . . ? O3 S7 C33 F12 179.1(11) . . . . ? O1 S7 C33 F11 178.5(12) . . . . ? O2 S7 C33 F11 -63.3(14) . . . . ? O3 S7 C33 F11 56.1(14) . . . . ? O1 S7 C33 F10 62.4(14) . . . . ? O2 S7 C33 F10 -179.5(12) . . . . ? O3 S7 C33 F10 -60.1(13) . . . . ? C28 N4 C32 C31 5.6(17) . . . . ? Pt2 N4 C32 C31 178.7(9) 2 . . . ? N4 C32 C31 C30 -1.4(17) . . . . ? C32 C31 C30 C29 -4.4(16) . . . . ? C32 C31 C30 C15 178.5(10) . . . . ? C14 C15 C30 C31 -148.5(12) . . . . ? C16 C15 C30 C31 31.1(17) . . . . ? C14 C15 C30 C29 34.5(17) . . . . ? C16 C15 C30 C29 -146.0(13) . . . . ? C31 C30 C29 C28 5.8(17) . . . . ? C15 C30 C29 C28 -177.1(11) . . . . ? C32 N4 C28 C29 -4.1(18) . . . . ? Pt2 N4 C28 C29 -177.2(10) 2 . . . ? C30 C29 C28 N4 -1.6(19) . . . . ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 25.10 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 7.518 _refine_diff_density_min -2.141 _refine_diff_density_rms 0.269