# CIF Copied by cif2cif, version 0.0.8 - beta ( 2 Apr 98) data_global _audit_creation_method 'maXus' _publ_contact_author_name 'B. Schweizer' _publ_contact_author_address ; ; _publ_contact_author_email 'schweizer@org.chem.ethz.ch' _publ_contact_author_fax ' ' _publ_contact_author_phone ' ' _publ_section_title ; Crystal and molecular structure of c210708 ; _publ_section_abstract ; We present the crystal and molecular structure of c210708 ; _publ_section_comment ; Measured crystal was very thin plate with small satelites. All diagrams and calculations were performed using maXus (Bruker Nonius, Delft & MacScience, Japan). ; _publ_section_synopsis ; ; _publ_section_exptl_prep ; ; _publ_section_exptl_refinement ; ; _publ_section_figure_captions ; ; _publ_section_acknowledgements ; ; _chemical_compound_source 'LOC ETH Zurich' _exptl_crystal_description 'plate' _exptl_crystal_size_max .14 _exptl_crystal_size_mid .08 _exptl_crystal_size_min .04 _exptl_crystal_F_000 776.0 _exptl_crystal_colour 'black' _cell_measurement_temperature 173 _refine_ls_hydrogen_treatment 'constr' # Submission details _publ_requested_journal 'Acta Crystallographica Section C ' _diffrn_measurement_device 'KappaCCD' _computing_data_collection 'KappaCCD' _computing_data_reduction 'Denzo and Scalepak (Otwinowski & Minor, 1997)' _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_limit_l_max 17 loop_ _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_wavelength_id all _diffrn_orient_matrix_type 'X=UH' _diffrn_orient_matrix_UB_11 0.05411 _diffrn_orient_matrix_UB_12 0.09965 _diffrn_orient_matrix_UB_13 -0.02631 _diffrn_orient_matrix_UB_21 -0.01821 _diffrn_orient_matrix_UB_22 0.02739 _diffrn_orient_matrix_UB_23 -0.09905 _diffrn_orient_matrix_UB_31 -0.05760 _diffrn_orient_matrix_UB_32 0.04426 _diffrn_orient_matrix_UB_33 -0.00668 _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 2.058 _exptl_crystal_density_method 'not measured' _exptl_special_details ; ? ; _chemical_formula_weight 811.864 _diffrn_radiation_type ' MoK\a' loop_ _symmetry_equiv_pos_as_xyz '+X,+Y,+Z' '-X,-Y,-Z' _symmetry_space_group_name_H-M 'P -1 ' _symmetry_cell_setting 'Triclinic' _chemical_formula_moiety 'C19 H18 Cl4 Cu F3 N2 O3 Pt S ' _chemical_formula_sum 'C19 H18 Cl4 Cu F3 N2 O3 Pt S ' _chemical_name_systematic ; ? ; _cell_length_a 9.2087(4) _cell_length_b 10.9551(5) _cell_length_c 14.8595(8) _cell_angle_alpha 110.493(3) _cell_angle_beta 92.371(3) _cell_angle_gamma 108.700(2) _cell_volume 1309.98(11) _diffrn_reflns_av_R_equivalents 0.105 _diffrn_reflns_number 14635 _diffrn_reflns_theta_max 27.60 _diffrn_reflns_theta_min 3.93 _diffrn_reflns_theta_full 27.60 _cell_measurement_reflns_used 27226 _cell_measurement_theta_min 2.425 _cell_measurement_theta_max 27.485 _diffrn_measurement_method 'CCD' _computing_cell_refinement 'HKL Scalepack (Otwinowski & Minor 1997)' _computing_structure_solution 'SIR97(Altomare et al., J. Appl. Cryst.,1999)' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap # Absorption correction _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.407 _exptl_absorpt_correction_T_max 0.775 _exptl_absorpt_process_details ; multi-scan from symmetry-related measurements Sortav (Blessing 1995) ; 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' 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cu' 'Cu' 0.3201 1.2651 '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' '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' 'Pt' 'Pt' -1.7033 8.3905 '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' _exptl_absorpt_coefficient_mu 6.679 _reflns_number_total 5959 _reflns_number_gt 5027 _reflns_threshold_expression >2sigma(I) _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _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^)+ (0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 5959 _refine_ls_number_parameters 311 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0932 _refine_ls_R_factor_gt 0.0816 _refine_ls_wR_factor_ref 0.2142 _refine_ls_wR_factor_gt 0.2013 _refine_ls_goodness_of_fit_ref 1.174 _refine_ls_restrained_S_all 1.174 _refine_ls_shift/su_max 0.066 _refine_ls_shift/su_mean 0.002 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 0.37326(4) 0.42800(4) 0.69105(3) 0.03294(17) Uani 1 1 d . . . Cu26 Cu 0.2831(2) 0.26156(18) 0.76551(12) 0.0505(4) Uani 1 1 d . . . Cl12 Cl 0.4835(6) 0.8349(5) 0.7545(4) 0.0801(14) Uani 1 1 d . . . Cl13 Cl 0.3311(6) 0.5304(5) 0.9752(3) 0.0673(11) Uani 1 1 d . . . Cl20 Cl 0.7259(7) 0.5060(5) 0.5430(3) 0.0815(14) Uani 1 1 d . . . Cl21 Cl 0.5796(5) 0.1951(4) 0.7593(3) 0.0652(10) Uani 1 1 d . . . S27 S 0.0314(4) 0.0652(3) 0.8182(2) 0.0412(6) Uani 1 1 d . . . F32 F 0.0244(15) -0.1615(11) 0.6796(9) 0.102(4) Uani 1 1 d . . . F33 F -0.1945(13) -0.1317(15) 0.6841(8) 0.101(4) Uani 1 1 d . . . F34 F -0.0180(13) -0.0119(14) 0.6292(6) 0.093(4) Uani 1 1 d . . . O28 O 0.1985(10) 0.1204(10) 0.8156(6) 0.0444(18) Uani 1 1 d . . . O29 O -0.0031(12) -0.0116(11) 0.8802(7) 0.056(2) Uani 1 1 d . . . O30 O -0.0457(15) 0.1611(12) 0.8254(8) 0.072(3) Uani 1 1 d . . . N2 N 0.6077(13) 0.4434(12) 0.7102(7) 0.042(2) Uani 1 1 d . . . N5 N 0.4804(11) 0.6072(9) 0.8184(7) 0.0339(18) Uani 1 1 d . . . C3 C 0.6997(12) 0.5412(12) 0.7832(7) 0.034(2) Uani 1 1 d . . . C4 C 0.6287(14) 0.6396(11) 0.8479(8) 0.037(2) Uani 1 1 d . . . C6 C 0.4005(12) 0.6941(11) 0.8730(8) 0.034(2) Uani 1 1 d . . . C7 C 0.3243(15) 0.6677(13) 0.9442(9) 0.043(3) Uani 1 1 d . . . C8 C 0.2398(15) 0.7489(13) 0.9927(9) 0.044(2) Uani 1 1 d . . . C9 C 0.2308(15) 0.8540(14) 0.9670(10) 0.049(3) Uani 1 1 d . . . C10 C 0.3025(16) 0.8820(13) 0.8930(10) 0.051(3) Uani 1 1 d . . . C11 C 0.3890(17) 0.8012(14) 0.8471(10) 0.050(3) Uani 1 1 d . . . C14 C 0.6595(14) 0.3398(12) 0.6440(9) 0.040(2) Uani 1 1 d . . . C15 C 0.6493(13) 0.2192(12) 0.6569(9) 0.040(2) Uani 1 1 d . . . C16 C 0.6923(17) 0.1174(14) 0.5931(12) 0.061(4) Uani 1 1 d . . . C17 C 0.7464(18) 0.1363(16) 0.5100(12) 0.067(4) Uani 1 1 d . . . C18 C 0.755(2) 0.2546(17) 0.4945(10) 0.064(4) Uani 1 1 d . . . C19 C 0.7155(16) 0.3589(14) 0.5626(10) 0.049(3) Uani 1 1 d . . . C22 C 0.8671(16) 0.5693(16) 0.8123(11) 0.059(4) Uani 1 1 d . . . C23 C 0.7257(16) 0.7612(13) 0.9380(9) 0.049(3) Uani 1 1 d . . . C24 C 0.2922(16) 0.2532(13) 0.5667(9) 0.047(3) Uani 1 1 d . . . C25 C 0.1521(17) 0.4290(17) 0.6863(11) 0.056(3) Uani 1 1 d . . . C31 C -0.0417(17) -0.0681(17) 0.6966(10) 0.061(4) Uani 1 1 d . . . H8 H 0.1890 0.7306 1.0435 0.053 Uiso 1 1 calc R . . H9 H 0.1740 0.9094 1.0006 0.059 Uiso 1 1 calc R . . H10 H 0.2935 0.9537 0.8739 0.062 Uiso 1 1 calc R . . H16 H 0.6857 0.0359 0.6046 0.073 Uiso 1 1 calc R . . H17 H 0.7768 0.0670 0.4646 0.080 Uiso 1 1 calc R . . H18 H 0.7888 0.2657 0.4372 0.077 Uiso 1 1 calc R . . H22A H 0.8797 0.5388 0.8658 0.089 Uiso 1 1 calc R . . H22B H 0.9260 0.6696 0.8339 0.089 Uiso 1 1 calc R . . H22C H 0.9062 0.5182 0.7565 0.089 Uiso 1 1 calc R . . H23A H 0.8002 0.8309 0.9193 0.073 Uiso 1 1 calc R . . H23B H 0.7823 0.7289 0.9766 0.073 Uiso 1 1 calc R . . H23C H 0.6580 0.8030 0.9769 0.073 Uiso 1 1 calc R . . H24A H 0.1822 0.2025 0.5646 0.070 Uiso 1 1 calc R . . H24B H 0.3522 0.1934 0.5655 0.070 Uiso 1 1 calc R . . H24C H 0.3032 0.2795 0.5100 0.070 Uiso 1 1 calc R . . H25A H 0.1109 0.4161 0.6203 0.084 Uiso 1 1 calc R . . H25B H 0.1530 0.5185 0.7329 0.084 Uiso 1 1 calc R . . H25C H 0.0862 0.3530 0.7032 0.084 Uiso 1 1 calc R . . 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 0.0339(3) 0.0328(2) 0.0376(2) 0.01287(17) 0.00555(16) 0.01976(18) Cu26 0.0510(9) 0.0508(9) 0.0556(8) 0.0285(7) 0.0080(7) 0.0170(7) Cl12 0.112(3) 0.078(3) 0.111(3) 0.072(3) 0.070(3) 0.065(3) Cl13 0.101(3) 0.084(3) 0.068(2) 0.0528(19) 0.046(2) 0.070(2) Cl20 0.131(4) 0.075(3) 0.090(3) 0.059(2) 0.066(3) 0.066(3) Cl21 0.085(3) 0.072(2) 0.082(2) 0.055(2) 0.038(2) 0.053(2) S27 0.0434(15) 0.0453(15) 0.0388(13) 0.0155(11) 0.0097(11) 0.0215(12) F32 0.100(8) 0.053(6) 0.123(9) -0.001(6) 0.047(7) 0.025(6) F33 0.059(6) 0.122(10) 0.066(6) 0.009(6) 0.010(5) -0.006(6) F34 0.082(7) 0.128(10) 0.043(4) 0.024(5) 0.009(4) 0.012(6) O28 0.037(4) 0.054(5) 0.050(4) 0.032(4) 0.009(3) 0.012(4) O29 0.063(6) 0.067(6) 0.059(5) 0.042(5) 0.021(5) 0.029(5) O30 0.098(9) 0.074(7) 0.074(7) 0.032(6) 0.037(6) 0.061(7) N2 0.047(6) 0.060(6) 0.045(5) 0.028(5) 0.021(4) 0.041(5) N5 0.035(5) 0.029(4) 0.042(4) 0.012(3) 0.010(4) 0.018(4) C3 0.032(5) 0.042(5) 0.030(4) 0.014(4) 0.001(4) 0.014(4) C4 0.044(6) 0.036(5) 0.044(5) 0.023(4) 0.014(5) 0.021(5) C6 0.027(5) 0.034(5) 0.041(5) 0.008(4) 0.007(4) 0.019(4) C7 0.047(6) 0.046(6) 0.051(6) 0.019(5) 0.017(5) 0.035(5) C8 0.046(6) 0.045(6) 0.044(6) 0.011(5) 0.013(5) 0.026(5) C9 0.047(7) 0.050(7) 0.064(7) 0.020(6) 0.025(6) 0.035(6) C10 0.057(8) 0.033(6) 0.071(8) 0.016(5) 0.013(6) 0.029(6) C11 0.058(8) 0.048(7) 0.066(7) 0.029(6) 0.020(6) 0.037(6) C14 0.044(6) 0.039(6) 0.055(6) 0.027(5) 0.015(5) 0.027(5) C15 0.033(5) 0.043(6) 0.057(6) 0.026(5) 0.011(5) 0.022(5) C16 0.050(8) 0.036(6) 0.096(11) 0.015(7) 0.016(7) 0.027(6) C17 0.059(9) 0.055(8) 0.079(9) 0.003(7) 0.029(7) 0.034(7) C18 0.080(10) 0.073(10) 0.055(7) 0.021(7) 0.039(7) 0.048(9) C19 0.056(7) 0.043(6) 0.058(7) 0.022(5) 0.027(6) 0.027(6) C22 0.042(7) 0.060(8) 0.069(8) 0.004(6) -0.001(6) 0.033(6) C23 0.057(8) 0.034(6) 0.045(6) 0.007(5) 0.009(5) 0.013(5) C24 0.047(7) 0.041(6) 0.040(5) 0.001(5) 0.000(5) 0.017(5) C25 0.051(8) 0.067(9) 0.063(8) 0.023(7) 0.013(6) 0.039(7) C31 0.044(7) 0.068(9) 0.040(6) -0.004(6) 0.005(5) 0.008(6) _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 C24 2.032(11) . ? Pt1 C25 2.039(13) . ? Pt1 N5 2.100(9) . ? Pt1 N2 2.110(10) . ? Pt1 Cu26 2.3992(16) . ? Cu26 O28 1.907(8) . ? Cl12 C11 1.743(14) . ? Cl13 C7 1.739(12) . ? Cl20 C19 1.709(13) . ? Cl21 C15 1.747(12) . ? S27 O30 1.424(10) . ? S27 O29 1.434(9) . ? S27 O28 1.469(9) . ? S27 C31 1.808(13) . ? F32 C31 1.31(2) . ? F33 C31 1.326(19) . ? F34 C31 1.34(2) . ? N2 C3 1.253(16) . ? N2 C14 1.446(14) . ? N5 C4 1.309(15) . ? N5 C6 1.436(12) . ? C3 C22 1.485(16) . ? C3 C4 1.515(15) . ? C4 C23 1.501(16) . ? C6 C7 1.356(16) . ? C6 C11 1.389(15) . ? C7 C8 1.399(14) . ? C8 C9 1.359(17) . ? C9 C10 1.380(19) . ? C10 C11 1.399(16) . ? C14 C15 1.375(15) . ? C14 C19 1.389(17) . ? C15 C16 1.369(17) . ? C16 C17 1.41(2) . ? C17 C18 1.37(2) . ? C18 C19 1.399(17) . ? C8 H8 0.9500 . ? C9 H9 0.9500 . ? C10 H10 0.9500 . ? C16 H16 0.9500 . ? C17 H17 0.9500 . ? C18 H18 0.9500 . ? C22 H22A 0.9800 . ? C22 H22B 0.9800 . ? C22 H22C 0.9800 . ? C23 H23A 0.9800 . ? C23 H23B 0.9800 . ? C23 H23C 0.9800 . ? C24 H24A 0.9800 . ? C24 H24B 0.9800 . ? C24 H24C 0.9800 . ? C25 H25A 0.9800 . ? C25 H25B 0.9800 . ? C25 H25C 0.9800 . ? 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 C24 Pt1 C25 87.4(6) . . ? C24 Pt1 N5 174.0(4) . . ? C25 Pt1 N5 98.6(5) . . ? C24 Pt1 N2 98.3(5) . . ? C25 Pt1 N2 174.2(5) . . ? N5 Pt1 N2 75.6(4) . . ? C24 Pt1 Cu26 82.3(4) . . ? C25 Pt1 Cu26 84.8(5) . . ? N5 Pt1 Cu26 98.4(3) . . ? N2 Pt1 Cu26 95.1(3) . . ? O28 Cu26 Pt1 175.4(3) . . ? O30 S27 O29 116.9(6) . . ? O30 S27 O28 114.3(7) . . ? O29 S27 O28 112.9(5) . . ? O30 S27 C31 105.5(8) . . ? O29 S27 C31 103.7(8) . . ? O28 S27 C31 101.3(6) . . ? S27 O28 Cu26 121.7(5) . . ? C3 N2 C14 120.5(10) . . ? C3 N2 Pt1 118.3(7) . . ? C14 N2 Pt1 121.0(8) . . ? C4 N5 C6 119.4(9) . . ? C4 N5 Pt1 116.8(7) . . ? C6 N5 Pt1 123.8(7) . . ? N2 C3 C22 127.4(10) . . ? N2 C3 C4 114.9(9) . . ? C22 C3 C4 117.7(9) . . ? N5 C4 C23 125.2(10) . . ? N5 C4 C3 114.3(9) . . ? C23 C4 C3 120.6(10) . . ? C7 C6 C11 118.5(10) . . ? C7 C6 N5 122.0(10) . . ? C11 C6 N5 119.3(10) . . ? C6 C7 C8 121.1(11) . . ? C6 C7 Cl13 119.5(8) . . ? C8 C7 Cl13 119.5(10) . . ? C9 C8 C7 119.7(12) . . ? C8 C9 C10 121.2(10) . . ? C9 C10 C11 117.9(11) . . ? C6 C11 C10 121.6(12) . . ? C6 C11 Cl12 119.1(9) . . ? C10 C11 Cl12 119.3(10) . . ? C15 C14 C19 118.6(11) . . ? C15 C14 N2 121.8(11) . . ? C19 C14 N2 119.5(10) . . ? C16 C15 C14 122.7(12) . . ? C16 C15 Cl21 118.5(10) . . ? C14 C15 Cl21 118.7(9) . . ? C15 C16 C17 118.4(13) . . ? C18 C17 C16 120.1(11) . . ? C17 C18 C19 120.2(13) . . ? C14 C19 C18 119.9(12) . . ? C14 C19 Cl20 119.8(9) . . ? C18 C19 Cl20 120.2(11) . . ? F32 C31 F33 108.9(15) . . ? F32 C31 F34 108.9(13) . . ? F33 C31 F34 105.8(14) . . ? F32 C31 S27 111.5(11) . . ? F33 C31 S27 110.7(10) . . ? F34 C31 S27 110.9(12) . . ? C9 C8 H8 120.1 . . ? C7 C8 H8 120.1 . . ? C8 C9 H9 119.4 . . ? C10 C9 H9 119.4 . . ? C9 C10 H10 121.1 . . ? C11 C10 H10 121.0 . . ? C15 C16 H16 120.8 . . ? C17 C16 H16 120.8 . . ? C18 C17 H17 119.9 . . ? C16 C17 H17 119.9 . . ? C17 C18 H18 119.9 . . ? C19 C18 H18 119.9 . . ? C3 C22 H22A 109.5 . . ? C3 C22 H22B 109.5 . . ? H22A C22 H22B 109.5 . . ? C3 C22 H22C 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? C4 C23 H23A 109.5 . . ? C4 C23 H23B 109.5 . . ? H23A C23 H23B 109.5 . . ? C4 C23 H23C 109.5 . . ? H23A C23 H23C 109.5 . . ? H23B C23 H23C 109.5 . . ? Pt1 C24 H24A 109.5 . . ? Pt1 C24 H24B 109.5 . . ? H24A C24 H24B 109.5 . . ? Pt1 C24 H24C 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? Pt1 C25 H25A 109.5 . . ? Pt1 C25 H25B 109.5 . . ? H25A C25 H25B 109.5 . . ? Pt1 C25 H25C 109.5 . . ? H25A C25 H25C 109.5 . . ? H25B C25 H25C 109.5 . . ? 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 C24 Pt1 Cu26 O28 -32(3) . . . . ? C25 Pt1 Cu26 O28 56(4) . . . . ? N5 Pt1 Cu26 O28 154(3) . . . . ? N2 Pt1 Cu26 O28 -130(3) . . . . ? O30 S27 O28 Cu26 -28.0(9) . . . . ? O29 S27 O28 Cu26 -164.8(6) . . . . ? C31 S27 O28 Cu26 85.0(8) . . . . ? Pt1 Cu26 O28 S27 -50(4) . . . . ? C24 Pt1 N2 C3 -178.9(9) . . . . ? C25 Pt1 N2 C3 -7(5) . . . . ? N5 Pt1 N2 C3 1.5(9) . . . . ? Cu26 Pt1 N2 C3 -96.0(9) . . . . ? C24 Pt1 N2 C14 -2.2(9) . . . . ? C25 Pt1 N2 C14 169(4) . . . . ? N5 Pt1 N2 C14 178.2(9) . . . . ? Cu26 Pt1 N2 C14 80.7(8) . . . . ? C24 Pt1 N5 C4 -5(4) . . . . ? C25 Pt1 N5 C4 178.0(9) . . . . ? N2 Pt1 N5 C4 -1.0(8) . . . . ? Cu26 Pt1 N5 C4 92.1(8) . . . . ? C24 Pt1 N5 C6 175(4) . . . . ? C25 Pt1 N5 C6 -2.2(10) . . . . ? N2 Pt1 N5 C6 178.7(9) . . . . ? Cu26 Pt1 N5 C6 -88.2(8) . . . . ? C14 N2 C3 C22 1.4(19) . . . . ? Pt1 N2 C3 C22 178.1(11) . . . . ? C14 N2 C3 C4 -178.3(9) . . . . ? Pt1 N2 C3 C4 -1.6(13) . . . . ? C6 N5 C4 C23 1.7(16) . . . . ? Pt1 N5 C4 C23 -178.5(9) . . . . ? C6 N5 C4 C3 -179.1(9) . . . . ? Pt1 N5 C4 C3 0.6(12) . . . . ? N2 C3 C4 N5 0.6(14) . . . . ? C22 C3 C4 N5 -179.1(11) . . . . ? N2 C3 C4 C23 179.8(10) . . . . ? C22 C3 C4 C23 0.1(16) . . . . ? C4 N5 C6 C7 -92.8(14) . . . . ? Pt1 N5 C6 C7 87.5(12) . . . . ? C4 N5 C6 C11 92.9(13) . . . . ? Pt1 N5 C6 C11 -86.8(12) . . . . ? C11 C6 C7 C8 -2.0(19) . . . . ? N5 C6 C7 C8 -176.3(11) . . . . ? C11 C6 C7 Cl13 177.8(10) . . . . ? N5 C6 C7 Cl13 3.4(16) . . . . ? C6 C7 C8 C9 1(2) . . . . ? Cl13 C7 C8 C9 -178.3(11) . . . . ? C7 C8 C9 C10 1(2) . . . . ? C8 C9 C10 C11 -2(2) . . . . ? C7 C6 C11 C10 1(2) . . . . ? N5 C6 C11 C10 175.1(12) . . . . ? C7 C6 C11 Cl12 -179.0(10) . . . . ? N5 C6 C11 Cl12 -4.5(17) . . . . ? C9 C10 C11 C6 1(2) . . . . ? C9 C10 C11 Cl12 -179.1(11) . . . . ? C3 N2 C14 C15 90.3(15) . . . . ? Pt1 N2 C14 C15 -86.3(12) . . . . ? C3 N2 C14 C19 -92.3(14) . . . . ? Pt1 N2 C14 C19 91.0(13) . . . . ? C19 C14 C15 C16 0(2) . . . . ? N2 C14 C15 C16 177.5(12) . . . . ? C19 C14 C15 Cl21 179.7(10) . . . . ? N2 C14 C15 Cl21 -2.9(16) . . . . ? C14 C15 C16 C17 -1(2) . . . . ? Cl21 C15 C16 C17 179.2(11) . . . . ? C15 C16 C17 C18 0(2) . . . . ? C16 C17 C18 C19 2(3) . . . . ? C15 C14 C19 C18 2(2) . . . . ? N2 C14 C19 C18 -175.4(13) . . . . ? C15 C14 C19 Cl20 178.6(10) . . . . ? N2 C14 C19 Cl20 1.2(18) . . . . ? C17 C18 C19 C14 -3(2) . . . . ? C17 C18 C19 Cl20 -179.7(13) . . . . ? O30 S27 C31 F32 178.1(12) . . . . ? O29 S27 C31 F32 -58.5(13) . . . . ? O28 S27 C31 F32 58.7(13) . . . . ? O30 S27 C31 F33 -60.6(15) . . . . ? O29 S27 C31 F33 62.8(15) . . . . ? O28 S27 C31 F33 -180.0(13) . . . . ? O30 S27 C31 F34 56.5(12) . . . . ? O29 S27 C31 F34 179.9(11) . . . . ? O28 S27 C31 F34 -62.9(12) . . . . ? _diffrn_measured_fraction_theta_max 0.980 _diffrn_measured_fraction_theta_full 0.980 _refine_diff_density_max 3.522 _refine_diff_density_min -6.050 _refine_diff_density_rms 0.341 _publ_section_references ; Mackay, S., Gilmore, C. J.,Edwards, C., Stewart, N. & Shankland, K. (1999). maXus Computer Program for the Solution and Refinement of Crystal Structures. Bruker Nonius, The Netherlands, MacScience, Japan & The University of Glasgow. Johnson, C. K. (1976). ORTEP-II. A Fortran Thermal-Ellipsoid Plot Program. Report ORNL-5138. Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA. Otwinowski, Z. and Minor, W, (1997). In Methods in Enzymology, 276, edited by C.W. Carter, Jr. & R.M. Sweet pp. 307-326, New York:Academic Press. Altomare, A., Burla, M.C., Camalli, M., Cascarano, G.L., Giacovazzo, C., Guagliardi, A., Moliterni, A.G.G & Spagna, R. (1999). J. Appl. Cryst. 32, 115-119. Sheldrick, G. M. (1997). SHELXL97. Program for the Refinement of Crystal Structures. University of G\"ottingen, Germany. Blessing, R.H. (1995), Acta. Cryst. A51, 33-38. ;