data_hrva142 _audit_creation_method SHELXL-97 _chemical_name_systematic ; (OC-6-22)-((1R,2R)-diaminocyclohexane)bis(oxalato)platinum(IV) ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C10 H14 N2 O8 Pt, 2(C3 H7 N O)' _chemical_formula_sum 'C16 H28 N4 O10 Pt' _chemical_formula_weight 631.51 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' 'Pt' 'Pt' -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M P212121 _symmetry_space_group_name_Hall 'P 2ac 2ab' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' _cell_length_a 8.9059(5) _cell_length_b 11.2218(6) _cell_length_c 22.0760(11) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 2206.3(2) _cell_formula_units_Z 4 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 9887 _cell_measurement_theta_min 2.46 _cell_measurement_theta_max 25.33 _exptl_crystal_description block _exptl_crystal_colour colourless _exptl_crystal_size_max 0.08 _exptl_crystal_size_mid 0.06 _exptl_crystal_size_min 0.05 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.901 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1240 _exptl_absorpt_coefficient_mu 6.419 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.6446 _exptl_absorpt_correction_T_max 0.7439 _exptl_absorpt_process_details SADABS _exptl_special_details ; ? ; _diffrn_ambient_temperature 100(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 D8 VENTURE' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 21870 _diffrn_reflns_av_R_equivalents 0.0666 _diffrn_reflns_av_sigmaI/netI 0.0511 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_theta_min 2.04 _diffrn_reflns_theta_max 25.42 _reflns_number_total 4022 _reflns_number_gt 3683 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker APEX2' _computing_cell_refinement 'Bruker SAINT' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker 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^)+(0.0354P)^2^+25.8990P] 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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack -0.002(18) _chemical_absolute_configuration 'ad' _refine_ls_number_reflns 4022 _refine_ls_number_parameters 268 _refine_ls_number_restraints 21 _refine_ls_R_factor_all 0.0552 _refine_ls_R_factor_gt 0.0472 _refine_ls_wR_factor_ref 0.1087 _refine_ls_wR_factor_gt 0.1056 _refine_ls_goodness_of_fit_ref 1.098 _refine_ls_restrained_S_all 1.095 _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 0.41353(5) 0.08264(4) 0.182826(19) 0.02601(13) Uani 1 1 d . . . O6 O 0.4861(8) -0.0869(7) 0.1954(3) 0.0294(17) Uani 1 1 d . . . O1 O 0.6125(9) 0.1541(7) 0.2087(4) 0.0316(19) Uani 1 1 d . . . N2 N 0.3161(9) 0.0925(9) 0.2659(4) 0.0240(19) Uani 1 1 d . . . H2A H 0.3456 0.0290 0.2894 0.029 Uiso 1 1 calc R . . H2B H 0.3446 0.1617 0.2851 0.029 Uiso 1 1 calc R . . N1 N 0.2115(11) 0.0171(9) 0.1564(4) 0.029(2) Uani 1 1 d . . . H1A H 0.1627 0.0718 0.1325 0.035 Uiso 1 1 calc R . . H1B H 0.2248 -0.0516 0.1343 0.035 Uiso 1 1 calc R . . O5 O 0.5024(9) 0.0653(7) 0.1005(4) 0.0332(19) Uani 1 1 d . . . O2 O 0.3540(9) 0.2516(7) 0.1672(4) 0.036(2) Uani 1 1 d . . . C9 C 0.1510(12) 0.0906(11) 0.2572(5) 0.027(2) Uani 1 1 d . . . H9 H 0.1192 0.1681 0.2389 0.032 Uiso 1 1 calc R . . C4 C 0.1194(12) -0.0088(9) 0.2122(5) 0.024(2) Uani 1 1 d . . . H4 H 0.1554 -0.0856 0.2301 0.028 Uiso 1 1 calc R . . C8 C 0.0679(12) 0.0739(10) 0.3161(5) 0.032(2) Uani 1 1 d . . . H8A H 0.0845 0.1438 0.3426 0.038 Uiso 1 1 calc R . . H8B H 0.1066 0.0024 0.3373 0.038 Uiso 1 1 calc R . . O3 O 0.4664(11) 0.4290(8) 0.1602(4) 0.048(2) Uani 1 1 d . . . O4 O 0.7380(12) 0.3220(8) 0.1918(5) 0.052(3) Uani 1 1 d . . . O8 O 0.6498(10) -0.0632(9) 0.0503(4) 0.049(2) Uani 1 1 d . . . C7 C -0.1052(14) 0.0587(10) 0.3035(5) 0.037(3) Uani 1 1 d . . . H7A H -0.1581 0.0405 0.3418 0.045 Uiso 1 1 calc R . . H7B H -0.1465 0.1340 0.2871 0.045 Uiso 1 1 calc R . . O7 O 0.6379(9) -0.2136(7) 0.1512(4) 0.035(2) Uani 1 1 d . . . C13 C 0.5695(14) -0.1209(9) 0.1501(5) 0.026(2) Uani 1 1 d U . . C12 C 0.5800(16) -0.0361(10) 0.0956(5) 0.034(3) Uani 1 1 d . . . C11 C 0.4739(15) 0.3233(10) 0.1710(6) 0.035(3) Uani 1 1 d . . . C10 C 0.6214(14) 0.2646(11) 0.1914(6) 0.040(3) Uani 1 1 d . . . C5 C -0.0469(13) -0.0202(11) 0.1996(6) 0.034(3) Uani 1 1 d . . . H5A H -0.0648 -0.0875 0.1715 0.041 Uiso 1 1 calc R . . H5B H -0.0841 0.0536 0.1801 0.041 Uiso 1 1 calc R . . C6 C -0.1308(14) -0.0414(11) 0.2584(6) 0.038(3) Uani 1 1 d . . . H6A H -0.2396 -0.0482 0.2498 0.046 Uiso 1 1 calc R . . H6B H -0.0971 -0.1176 0.2765 0.046 Uiso 1 1 calc R . . N3 N 0.9032(14) -0.1929(8) -0.0256(4) 0.037(2) Uani 1 1 d . . . O9 O 0.7820(13) -0.3240(10) -0.0819(5) 0.059(3) Uani 1 1 d . . . C15 C 0.900(2) -0.2644(13) 0.0304(6) 0.056(4) Uani 1 1 d . . . H15A H 0.7970 -0.2888 0.0392 0.084 Uiso 1 1 calc R . . H15B H 0.9391 -0.2166 0.0641 0.084 Uiso 1 1 calc R . . H15C H 0.9633 -0.3353 0.0251 0.084 Uiso 1 1 calc R . . C14 C 0.8426(16) -0.2278(12) -0.0745(7) 0.042(3) Uani 1 1 d . . . H14 H 0.8446 -0.1747 -0.1080 0.050 Uiso 1 1 calc R . . C16 C 0.982(2) -0.0796(18) -0.0215(9) 0.079(5) Uani 1 1 d . . . H16A H 0.9478 -0.0366 0.0146 0.118 Uiso 1 1 calc R . . H16B H 0.9604 -0.0319 -0.0576 0.118 Uiso 1 1 calc R . . H16C H 1.0900 -0.0940 -0.0186 0.118 Uiso 1 1 calc R . . N4A N 0.875(2) 0.2892(12) 0.0421(11) 0.061(2) Uiso 0.60 1 d PD A 1 C17A C 0.981(3) 0.2598(19) 0.0798(13) 0.061(2) Uiso 0.60 1 d PD A 1 H17A H 1.0199 0.3224 0.1040 0.073 Uiso 0.60 1 calc PR A 1 O10A O 1.034(4) 0.1632(18) 0.0877(12) 0.061(2) Uiso 0.60 1 d PD A 1 C19A C 0.818(3) 0.405(2) 0.0385(12) 0.061(2) Uiso 0.60 1 d PD A 1 H19A H 0.8217 0.4447 -0.0010 0.091 Uiso 0.60 1 d PR A 1 H19B H 0.8227 0.4652 0.0707 0.091 Uiso 0.60 1 d PR A 1 H19C H 0.7241 0.3602 0.0420 0.091 Uiso 0.60 1 d PR A 1 C18A C 0.806(3) 0.205(2) 0.0043(12) 0.061(2) Uiso 0.60 1 d PD A 1 H18A H 0.8623 0.1302 0.0060 0.091 Uiso 0.60 1 d PR A 1 H18B H 0.8094 0.2369 -0.0371 0.091 Uiso 0.60 1 d PR A 1 H18C H 0.7017 0.1911 0.0161 0.091 Uiso 0.60 1 d PR A 1 N4B N 0.908(3) 0.3099(18) 0.0524(17) 0.061(2) Uiso 0.40 1 d PD B 2 C17B C 1.023(4) 0.260(3) 0.078(2) 0.061(2) Uiso 0.40 1 d PD B 2 H17B H 1.0940 0.3087 0.0985 0.073 Uiso 0.40 1 calc PR B 2 O10B O 1.043(6) 0.154(3) 0.0771(19) 0.061(2) Uiso 0.40 1 d PD B 2 C18B C 0.782(3) 0.245(3) 0.0343(19) 0.061(2) Uiso 0.40 1 d PD B 2 H18D H 0.6875 0.2893 0.0346 0.091 Uiso 0.40 1 d PR B 2 H18E H 0.7733 0.1755 0.0613 0.091 Uiso 0.40 1 d PR B 2 H18F H 0.8034 0.2173 -0.0070 0.091 Uiso 0.40 1 d PR B 2 C19B C 0.900(5) 0.433(2) 0.0432(17) 0.061(2) Uiso 0.40 1 d PD B 2 H19D H 0.8999 0.4463 -0.0007 0.091 Uiso 0.40 1 d PR B 2 H19E H 0.9763 0.4843 0.0620 0.091 Uiso 0.40 1 d PR B 2 H19F H 0.8013 0.4524 0.0598 0.091 Uiso 0.40 1 d PR B 2 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 0.0251(2) 0.02209(18) 0.0309(2) -0.0013(2) -0.0013(2) 0.0017(2) O6 0.034(4) 0.026(4) 0.028(4) -0.001(4) -0.002(3) 0.001(4) O1 0.021(5) 0.034(4) 0.039(4) -0.002(4) -0.001(4) -0.010(4) N2 0.026(5) 0.022(5) 0.024(5) -0.009(4) -0.005(4) 0.000(4) N1 0.030(6) 0.031(5) 0.026(5) -0.004(4) -0.007(4) 0.012(4) O5 0.035(4) 0.026(4) 0.038(5) 0.004(4) 0.003(4) 0.008(4) O2 0.044(5) 0.022(4) 0.043(6) 0.002(4) 0.003(4) 0.007(4) C9 0.028(6) 0.016(5) 0.035(6) -0.003(5) -0.007(5) -0.001(5) C4 0.015(6) 0.018(5) 0.038(6) -0.002(4) -0.004(5) 0.002(4) C8 0.031(6) 0.024(5) 0.039(5) -0.010(6) 0.004(6) -0.005(5) O3 0.080(7) 0.027(5) 0.037(5) -0.005(4) -0.001(4) 0.011(5) O4 0.055(6) 0.051(5) 0.050(6) -0.008(5) 0.009(6) -0.026(5) O8 0.051(5) 0.053(6) 0.042(5) 0.006(5) 0.015(4) 0.014(5) C7 0.036(7) 0.038(7) 0.039(7) 0.004(5) 0.017(6) 0.015(6) O7 0.039(5) 0.023(4) 0.041(5) 0.000(4) 0.006(4) 0.009(3) C13 0.026(3) 0.026(3) 0.027(3) -0.0004(10) 0.0000(10) 0.0002(10) C12 0.036(7) 0.031(5) 0.035(7) -0.003(5) 0.008(7) -0.007(6) C11 0.051(8) 0.024(6) 0.031(8) -0.005(5) 0.004(6) 0.011(5) C10 0.046(9) 0.033(6) 0.041(8) -0.007(6) 0.001(6) -0.008(6) C5 0.025(7) 0.032(6) 0.045(8) -0.009(5) 0.001(5) -0.008(5) C6 0.027(7) 0.033(6) 0.055(9) -0.001(6) -0.004(6) -0.005(5) N3 0.040(6) 0.036(5) 0.034(6) -0.007(4) 0.002(6) 0.003(5) O9 0.058(7) 0.057(6) 0.062(7) -0.027(5) 0.004(6) -0.006(5) C15 0.070(10) 0.056(8) 0.041(8) 0.006(7) 0.008(8) 0.017(9) C14 0.039(8) 0.038(8) 0.048(9) -0.008(6) 0.001(6) 0.009(6) C16 0.071(12) 0.074(11) 0.091(13) 0.002(12) -0.017(10) -0.035(11) _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 O5 1.993(8) . ? Pt1 O2 1.999(8) . ? Pt1 O1 2.027(8) . ? Pt1 O6 2.028(8) . ? Pt1 N1 2.029(10) . ? Pt1 N2 2.032(8) . ? O6 C13 1.305(13) . ? O1 C10 1.300(15) . ? N2 C9 1.484(13) . ? N2 H2A 0.9200 . ? N2 H2B 0.9200 . ? N1 C4 1.507(14) . ? N1 H1A 0.9200 . ? N1 H1B 0.9200 . ? O5 C12 1.335(15) . ? O2 C11 1.340(15) . ? C9 C8 1.508(16) . ? C9 C4 1.522(15) . ? C9 H9 1.0000 . ? C4 C5 1.512(16) . ? C4 H4 1.0000 . ? C8 C7 1.575(16) . ? C8 H8A 0.9900 . ? C8 H8B 0.9900 . ? O3 C11 1.211(15) . ? O4 C10 1.222(15) . ? O8 C12 1.216(15) . ? C7 C6 1.517(17) . ? C7 H7A 0.9900 . ? C7 H7B 0.9900 . ? O7 C13 1.205(13) . ? C13 C12 1.537(15) . ? C11 C10 1.537(18) . ? C5 C6 1.518(17) . ? C5 H5A 0.9900 . ? C5 H5B 0.9900 . ? C6 H6A 0.9900 . ? C6 H6B 0.9900 . ? N3 C14 1.268(17) . ? N3 C16 1.45(2) . ? N3 C15 1.475(16) . ? O9 C14 1.218(17) . ? C15 H15A 0.9800 . ? C15 H15B 0.9800 . ? C15 H15C 0.9800 . ? C14 H14 0.9500 . ? C16 H16A 0.9800 . ? C16 H16B 0.9800 . ? C16 H16C 0.9800 . ? N4A C17A 1.30(2) . ? N4A C19A 1.398(17) . ? N4A C18A 1.399(17) . ? C17A O10A 1.20(2) . ? C17A H17A 0.9500 . ? C19A H19A 0.9800 . ? C19A H19B 0.9800 . ? C19A H19C 0.9800 . ? C18A H18A 0.9800 . ? C18A H18B 0.9800 . ? C18A H18C 0.9800 . ? N4B C17B 1.30(2) . ? N4B C19B 1.398(17) . ? N4B C18B 1.399(17) . ? C17B O10B 1.20(2) . ? C17B H17B 0.9500 . ? C18B H18C 1.0157 . ? C18B H18D 0.9800 . ? C18B H18E 0.9800 . ? C18B H18F 0.9800 . ? C19B H19A 1.2081 . ? C19B H19B 0.9890 . ? C19B H19D 0.9800 . ? C19B H19E 0.9800 . ? C19B H19F 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 O5 Pt1 O2 92.3(3) . . ? O5 Pt1 O1 87.0(3) . . ? O2 Pt1 O1 84.6(3) . . ? O5 Pt1 O6 84.7(3) . . ? O2 Pt1 O6 176.3(3) . . ? O1 Pt1 O6 93.1(3) . . ? O5 Pt1 N1 93.1(4) . . ? O2 Pt1 N1 93.4(4) . . ? O1 Pt1 N1 178.0(4) . . ? O6 Pt1 N1 88.9(3) . . ? O5 Pt1 N2 176.9(4) . . ? O2 Pt1 N2 89.5(4) . . ? O1 Pt1 N2 95.6(3) . . ? O6 Pt1 N2 93.6(3) . . ? N1 Pt1 N2 84.3(4) . . ? C13 O6 Pt1 110.5(6) . . ? C10 O1 Pt1 110.4(8) . . ? C9 N2 Pt1 107.8(6) . . ? C9 N2 H2A 110.1 . . ? Pt1 N2 H2A 110.1 . . ? C9 N2 H2B 110.1 . . ? Pt1 N2 H2B 110.1 . . ? H2A N2 H2B 108.5 . . ? C4 N1 Pt1 108.6(6) . . ? C4 N1 H1A 110.0 . . ? Pt1 N1 H1A 110.0 . . ? C4 N1 H1B 110.0 . . ? Pt1 N1 H1B 110.0 . . ? H1A N1 H1B 108.4 . . ? C12 O5 Pt1 111.2(7) . . ? C11 O2 Pt1 110.3(7) . . ? N2 C9 C8 112.2(9) . . ? N2 C9 C4 106.1(9) . . ? C8 C9 C4 112.4(9) . . ? N2 C9 H9 108.7 . . ? C8 C9 H9 108.7 . . ? C4 C9 H9 108.7 . . ? N1 C4 C5 113.5(9) . . ? N1 C4 C9 107.0(8) . . ? C5 C4 C9 111.3(9) . . ? N1 C4 H4 108.3 . . ? C5 C4 H4 108.3 . . ? C9 C4 H4 108.3 . . ? C9 C8 C7 109.9(9) . . ? C9 C8 H8A 109.7 . . ? C7 C8 H8A 109.7 . . ? C9 C8 H8B 109.7 . . ? C7 C8 H8B 109.7 . . ? H8A C8 H8B 108.2 . . ? C6 C7 C8 110.1(9) . . ? C6 C7 H7A 109.6 . . ? C8 C7 H7A 109.6 . . ? C6 C7 H7B 109.6 . . ? C8 C7 H7B 109.6 . . ? H7A C7 H7B 108.2 . . ? O7 C13 O6 121.7(10) . . ? O7 C13 C12 121.3(11) . . ? O6 C13 C12 117.0(9) . . ? O8 C12 O5 122.9(11) . . ? O8 C12 C13 121.3(11) . . ? O5 C12 C13 115.7(10) . . ? O3 C11 O2 122.1(12) . . ? O3 C11 C10 121.6(12) . . ? O2 C11 C10 116.2(10) . . ? O4 C10 O1 123.5(12) . . ? O4 C10 C11 120.2(12) . . ? O1 C10 C11 116.3(10) . . ? C4 C5 C6 109.8(10) . . ? C4 C5 H5A 109.7 . . ? C6 C5 H5A 109.7 . . ? C4 C5 H5B 109.7 . . ? C6 C5 H5B 109.7 . . ? H5A C5 H5B 108.2 . . ? C7 C6 C5 111.8(10) . . ? C7 C6 H6A 109.3 . . ? C5 C6 H6A 109.3 . . ? C7 C6 H6B 109.3 . . ? C5 C6 H6B 109.3 . . ? H6A C6 H6B 107.9 . . ? C14 N3 C16 121.9(13) . . ? C14 N3 C15 122.5(12) . . ? C16 N3 C15 115.5(12) . . ? N3 C15 H15A 109.5 . . ? N3 C15 H15B 109.5 . . ? H15A C15 H15B 109.5 . . ? N3 C15 H15C 109.5 . . ? H15A C15 H15C 109.5 . . ? H15B C15 H15C 109.5 . . ? O9 C14 N3 125.2(15) . . ? O9 C14 H14 117.4 . . ? N3 C14 H14 117.4 . . ? N3 C16 H16A 109.5 . . ? N3 C16 H16B 109.5 . . ? H16A C16 H16B 109.5 . . ? N3 C16 H16C 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? C17A N4A C19A 122.3(10) . . ? C17A N4A C18A 121.8(10) . . ? C19A N4A C18A 115.8(18) . . ? C17A N4A H18F 129.5 . . ? C19A N4A H18F 108.0 . . ? C18A N4A H18F 10.6 . . ? O10A C17A N4A 128(2) . . ? O10A C17A H17A 116.1 . . ? N4A C17A H17A 116.1 . . ? N4A C19A H19A 117.3 . . ? N4A C19A H19B 125.7 . . ? H19A C19A H19B 109.5 . . ? N4A C19A H19C 79.9 . . ? H19A C19A H19C 109.5 . . ? H19B C19A H19C 109.5 . . ? N4A C19A H19D 100.1 . . ? H19A C19A H19D 34.7 . . ? H19B C19A H19D 103.2 . . ? H19C C19A H19D 139.4 . . ? N4A C19A H19F 136.0 . . ? H19A C19A H19F 104.7 . . ? H19B C19A H19F 15.1 . . ? H19C C19A H19F 98.7 . . ? H19D C19A H19F 107.8 . . ? N4A C18A H18A 109.5 . . ? N4A C18A H18B 107.5 . . ? H18A C18A H18B 109.5 . . ? N4A C18A H18C 111.4 . . ? H18A C18A H18C 109.5 . . ? H18B C18A H18C 109.5 . . ? N4A C18A H18D 68.6 . . ? H18A C18A H18D 147.6 . . ? H18B C18A H18D 101.5 . . ? H18C C18A H18D 48.9 . . ? N4A C18A H18E 72.7 . . ? H18A C18A H18E 81.9 . . ? H18B C18A H18E 167.2 . . ? H18C C18A H18E 60.0 . . ? H18D C18A H18E 66.4 . . ? N4A C18A H18F 104.1 . . ? H18A C18A H18F 119.2 . . ? H18B C18A H18F 9.9 . . ? H18C C18A H18F 102.9 . . ? H18D C18A H18F 91.6 . . ? H18E C18A H18F 157.6 . . ? C17B N4B C19B 122.0(11) . . ? C17B N4B C18B 122.0(10) . . ? C19B N4B C18B 116.0(19) . . ? O10B C17B N4B 122(4) . . ? O10B C17B H17B 118.8 . . ? N4B C17B H17B 118.8 . . ? N4B C18B H19C 77.0 . . ? N4B C18B H18C 170.7 . . ? H19C C18B H18C 109.5 . . ? N4B C18B H18D 114.7 . . ? H19C C18B H18D 38.0 . . ? H18C C18B H18D 72.6 . . ? N4B C18B H18E 107.7 . . ? H19C C18B H18E 128.8 . . ? H18C C18B H18E 73.7 . . ? H18D C18B H18E 109.5 . . ? N4B C18B H18F 105.8 . . ? H19C C18B H18F 118.2 . . ? H18C C18B H18F 65.5 . . ? H18D C18B H18F 109.5 . . ? H18E C18B H18F 109.5 . . ? N4B C19B H19A 104.6 . . ? N4B C19B H19B 107.7 . . ? H19A C19B H19B 93.0 . . ? N4B C19B H19D 107.1 . . ? H19A C19B H19D 35.2 . . ? H19B C19B H19D 123.3 . . ? N4B C19B H19E 118.9 . . ? H19A C19B H19E 132.8 . . ? H19B C19B H19E 90.5 . . ? H19D C19B H19E 109.5 . . ? N4B C19B H19F 102.0 . . ? H19A C19B H19F 75.9 . . ? H19B C19B H19F 19.8 . . ? H19D C19B H19F 109.5 . . ? H19E C19B H19F 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 O5 Pt1 O6 C13 8.2(7) . . . . ? O2 Pt1 O6 C13 -28(5) . . . . ? O1 Pt1 O6 C13 -78.6(7) . . . . ? N1 Pt1 O6 C13 101.4(7) . . . . ? N2 Pt1 O6 C13 -174.4(7) . . . . ? O5 Pt1 O1 C10 78.9(8) . . . . ? O2 Pt1 O1 C10 -13.7(8) . . . . ? O6 Pt1 O1 C10 163.4(8) . . . . ? N1 Pt1 O1 C10 -16(11) . . . . ? N2 Pt1 O1 C10 -102.6(8) . . . . ? O5 Pt1 N2 C9 -52(7) . . . . ? O2 Pt1 N2 C9 73.6(8) . . . . ? O1 Pt1 N2 C9 158.1(7) . . . . ? O6 Pt1 N2 C9 -108.4(8) . . . . ? N1 Pt1 N2 C9 -19.9(8) . . . . ? O5 Pt1 N1 C4 167.7(7) . . . . ? O2 Pt1 N1 C4 -99.8(7) . . . . ? O1 Pt1 N1 C4 -97(10) . . . . ? O6 Pt1 N1 C4 83.1(7) . . . . ? N2 Pt1 N1 C4 -10.6(7) . . . . ? O2 Pt1 O5 C12 169.9(8) . . . . ? O1 Pt1 O5 C12 85.4(8) . . . . ? O6 Pt1 O5 C12 -8.0(8) . . . . ? N1 Pt1 O5 C12 -96.6(8) . . . . ? N2 Pt1 O5 C12 -64(7) . . . . ? O5 Pt1 O2 C11 -76.8(8) . . . . ? O1 Pt1 O2 C11 10.0(7) . . . . ? O6 Pt1 O2 C11 -41(5) . . . . ? N1 Pt1 O2 C11 -170.0(8) . . . . ? N2 Pt1 O2 C11 105.7(8) . . . . ? Pt1 N2 C9 C8 169.0(7) . . . . ? Pt1 N2 C9 C4 45.9(10) . . . . ? Pt1 N1 C4 C5 161.6(7) . . . . ? Pt1 N1 C4 C9 38.4(9) . . . . ? N2 C9 C4 N1 -55.6(11) . . . . ? C8 C9 C4 N1 -178.6(9) . . . . ? N2 C9 C4 C5 179.8(10) . . . . ? C8 C9 C4 C5 56.8(13) . . . . ? N2 C9 C8 C7 -173.9(9) . . . . ? C4 C9 C8 C7 -54.4(12) . . . . ? C9 C8 C7 C6 54.2(12) . . . . ? Pt1 O6 C13 O7 171.7(9) . . . . ? Pt1 O6 C13 C12 -6.8(12) . . . . ? Pt1 O5 C12 O8 -176.6(11) . . . . ? Pt1 O5 C12 C13 6.5(13) . . . . ? O7 C13 C12 O8 5(2) . . . . ? O6 C13 C12 O8 -176.6(12) . . . . ? O7 C13 C12 O5 -178.2(11) . . . . ? O6 C13 C12 O5 0.4(16) . . . . ? Pt1 O2 C11 O3 176.3(9) . . . . ? Pt1 O2 C11 C10 -5.3(12) . . . . ? Pt1 O1 C10 O4 -166.9(11) . . . . ? Pt1 O1 C10 C11 14.3(13) . . . . ? O3 C11 C10 O4 -6.8(19) . . . . ? O2 C11 C10 O4 174.7(12) . . . . ? O3 C11 C10 O1 172.0(11) . . . . ? O2 C11 C10 O1 -6.5(16) . . . . ? N1 C4 C5 C6 -177.8(9) . . . . ? C9 C4 C5 C6 -57.1(13) . . . . ? C8 C7 C6 C5 -57.0(13) . . . . ? C4 C5 C6 C7 58.6(13) . . . . ? C16 N3 C14 O9 176.0(15) . . . . ? C15 N3 C14 O9 -3(2) . . . . ? C19A N4A C17A O10A 178(3) . . . . ? C18A N4A C17A O10A 1(5) . . . . ? C19B N4B C17B O10B -167(5) . . . . ? C18B N4B C17B O10B 15(7) . . . . ? _diffrn_measured_fraction_theta_max 0.990 _diffrn_reflns_theta_full 25.42 _diffrn_measured_fraction_theta_full 0.990 _refine_diff_density_max 1.559 _refine_diff_density_min -2.891 _refine_diff_density_rms 0.177