# Supplementary Material (ESI) for ChemComm # This journal is © The Royal Society of Chemistry 2000 # CCDC Number: 182/1610 data_1 #------------------------------------------------------------------------------ _audit_creation_date '1999-09-21' _audit_creation_method 'by teXsan v1.8' _audit_update_record ; ? ; #------------------------------------------------------------------------------ _publ_requested_journal ' ENTER JOURNAL NAME HERE' _publ_requested_category ' CHOOSE FI FM FO CI CM CO or AD' _publ_contact_author_name ' ENTER CONTACT NAME HERE ' _publ_contact_author_address ; ENTER ADDRESS ; _publ_contact_letter ; ENTER TEXT OF LETTER ; _publ_requested_coeditor_name ? _publ_contact_author_phone ' ENTER PHONE NUMBER ' _publ_contact_author_fax ' ENTER FAX NUMBER ' _publ_contact_author_email ' ENTER EMAIL ADDRESS ' loop_ _publ_author_name _publ_author_footnote _publ_author_address ' FIRST AUTHORS NAME ' ; FIRST AUTHORS FOOTNOTES ; ; FIRST AUTHORS ADDRESS ; _publ_section_title ; ENTER SECTION TITLE ; _publ_section_title_footnote ' ENTER ANY FOOTNOTES TO TITLE ' _publ_section_abstract ; ENTER ABSTRACT ; _publ_section_exptl_refinement ; ENTER EXPERIMENTAL SECTION ; _publ_section_comment ; ENTER TEXT ; _publ_section_references ; ENTER OTHER REFERENCES Molecular Structure Corporation. (1992-1997). teXsan. Single Crystal Structure Analysis Software. Version 1.7. MSC, 3200 Research Forest Drive, The Woodlands, TX 77381, USA. Walker, N. & Stuart. D. (1983). Acta Cryst. A39, 158-166. Zachariasen, W. H. (1967). Acta Cryst. 23, 558-564. Altomare, A., Cascarano, M., Giacovazzo, C., Guagliardi, A. (1993). J. Appl. Cryst., 26, 343. ; _publ_section_acknowledgements ; ENTER ACKNOWLEDGEMENTS ; _publ_section_table_legends ; ENTER TABLE LEGENDS ; _publ_section_figure_captions ; ENTER FIGURE CAPTIONS ; #------------------------------------------------------------------------------ _computing_data_collection 'MSC/AFC Diffractometer Control' _computing_cell_refinement 'MSC/AFC Diffractometer Control' _computing_data_reduction 'teXsan (MSC, 1992-1997)' _computing_structure_solution ; SIR92 (Altomare, et. al. 1993) ; _computing_structure_refinement 'teXsan (MSC, 1992-1997)' _computing_publication_material 'teXsan (MSC, 1992-1997)' #------------------------------------------------------------------------------ _cell_length_a 9.407(1) _cell_length_b 25.955(7) _cell_length_c 9.980(1) _cell_angle_alpha 90 _cell_angle_beta 113.41(1) _cell_angle_gamma 90 _cell_volume 2236.0(7) _cell_formula_units_Z 2 _cell_measurement_temperature 293.2 _cell_measurement_reflns_used 15 _cell_measurement_theta_min 2.4 _cell_measurement_theta_max 3.5 #------------------------------------------------------------------------------ _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/m ' _symmetry_Int_Tables_number 11 _symmetry_space_group_name_Hall ? loop_ _symmetry_equiv_pos_as_xyz ' +x, +y, +z' ' -x,1/2+y, -z' ' -x, -y, -z' ' +x,1/2-y, +z' #------------------------------------------------------------------------------ _publ_section_exptl_prep ; ENTER EXPERIMENTAL SECTION ; _exptl_crystal_description '----------' _exptl_crystal_colour '--------------------' _exptl_crystal_size_max 0.00 _exptl_crystal_size_mid 0.00 _exptl_crystal_size_min 0.00 _exptl_crystal_density_diffrn 2.167 _exptl_crystal_density_meas 'not measured' _chemical_formula_weight 1459.01 _chemical_formula_analytical ? _chemical_formula_sum 'C37 H28 O14 P2 Pt Ru5 ' _chemical_formula_moiety '?' _chemical_formula_structural ? _chemical_compound_source ? _exptl_crystal_F_000 1380.00 _exptl_absorpt_coefficient_mu 4.882 _exptl_absorpt_correction_type ; \DF (DIFABS; Walker & Stuart, 1983) ; _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_correction_T_min 0.451 _exptl_special_details ; The scan width was (1.60+0.35tan\q)\% with an \w scan speed of 4\% per minute (up to 2 scans to achieve I/\s(I) > 10). Stationary background counts were recorded at each end of the scan, and the scan time:background time ratio was 2:1. ; #------------------------------------------------------------------------------ _diffrn_special_details ; ? ; _diffrn_ambient_temperature 293.2 _diffrn_radiation_wavelength 0.7107 _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_source 'X-ray tube' _diffrn_radiation_monochromator graphite _diffrn_radiation_detector 'scintillation counter' _diffrn_measurement_device_type 'Rigaku AFC6S' _diffrn_measurement_method \w-2\q _diffrn_standards_number 3 _diffrn_standards_interval_count 150 _diffrn_standards_decay_% 1.92 loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l 1 0 -1 1 -2 -1 -1 -1 0 _diffrn_reflns_number 3412 _reflns_number_total 3197 _reflns_number_gt 2637 _reflns_threshold_expression I>3.00\s(I) _diffrn_reflns_av_R_equivalents 0.01559 _diffrn_reflns_av_sigmaI/netI 0.020 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 28 _diffrn_reflns_limit_l_min -10 _diffrn_reflns_limit_l_max 10 _diffrn_reflns_theta_min 0.79 _diffrn_reflns_theta_max 23.00 _diffrn_reflns_reduction_process 'Lp corrections applied' _diffrn_orient_matrix_UB_11 -0.04711 _diffrn_orient_matrix_UB_12 -0.02210 _diffrn_orient_matrix_UB_13 -0.08929 _diffrn_orient_matrix_UB_21 -0.00028 _diffrn_orient_matrix_UB_22 0.03011 _diffrn_orient_matrix_UB_23 -0.06291 _diffrn_orient_matrix_UB_31 0.10586 _diffrn_orient_matrix_UB_32 -0.00972 _diffrn_orient_matrix_UB_33 0.00773 #------------------------------------------------------------------------------ loop_ _atom_type_symbol _atom_type_oxidation_number _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Pt 0 2 -2.352 8.388 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; Ru 0 10 -1.420 0.836 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; P 0 4 0.090 0.095 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; O 0 28 0.008 0.006 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; C 0 74 0.002 0.002 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; H 0 56 0.000 0.000 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; #------------------------------------------------------------------------------ loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_occupancy _atom_site_refinement_flags _atom_site_adp_type _atom_site_calc_flag _atom_site_calc_attached_atom Pt(1) -0.39119(5) 0.2500 0.58053(4) 0.0340(1) 0.500 ST Uani d ? Ru(1) 0.05668(9) 0.2500 0.88826(8) 0.0308(2) 0.500 ST Uani d ? Ru(2) -0.1019(1) 0.2500 0.56638(9) 0.0355(3) 0.500 ST Uani d ? Ru(3) -0.15244(7) 0.16989(2) 0.74923(6) 0.0290(2) 1.000 . Uani d ? Ru(4) -0.2563(1) 0.2500 0.89327(8) 0.0293(2) 0.500 ST Uani d ? P(1) -0.3473(3) 0.11395(9) 0.6014(2) 0.0426(6) 1.000 . Uani d ? O(10) -0.382(1) 0.2500 0.2801(9) 0.081(4) 0.500 ST Uani d ? O(11) -0.732(1) 0.2500 0.418(1) 0.129(6) 0.500 ST Uani d ? O(12) -0.464(1) 0.1718(4) 0.949(1) 0.155(6) 1.000 . Uani d ? O(13) -0.035(2) 0.2500 1.206(1) 0.24(1) 0.500 ST Uani d ? O(14) 0.2431(9) 0.1653(3) 1.0937(8) 0.096(3) 1.000 . Uani d ? O(15) 0.284(1) 0.2500 0.745(1) 0.147(6) 0.500 ST Uani d ? O(16) -0.1143(9) 0.1083(3) 1.0180(7) 0.079(2) 1.000 . Uani d ? O(17) 0.1011(9) 0.1061(3) 0.7146(9) 0.086(3) 1.000 . Uani d ? O(18) 0.000(1) 0.1644(4) 0.418(1) 0.135(4) 1.000 . Uani d ? C(1) -0.169(1) 0.2500 0.7365(9) 0.027(3) 0.500 ST Uani d ? C(10) -0.314(1) 0.2500 0.408(1) 0.048(4) 0.500 ST Uani d ? C(11) -0.603(2) 0.2500 0.480(1) 0.064(5) 0.500 ST Uani d ? C(12) -0.382(1) 0.1999(4) 0.925(1) 0.077(4) 1.000 . Uani d ? C(13) -0.111(2) 0.2500 1.088(2) 0.113(8) 0.500 ST Uani d ? C(14) 0.171(1) 0.1964(3) 1.0170(9) 0.051(3) 1.000 . Uani d ? C(15) 0.178(1) 0.2500 0.777(1) 0.074(5) 0.500 ST Uani d ? C(16) -0.134(1) 0.1317(3) 0.9144(8) 0.047(3) 1.000 . Uani d ? C(17) 0.000(1) 0.1297(4) 0.7209(9) 0.052(3) 1.000 . Uani d ? C(18) -0.036(1) 0.1958(4) 0.475(1) 0.070(4) 1.000 . Uani d ? C(21) -0.418(1) 0.1221(4) 0.4073(9) 0.070(3) 1.000 . Uani d ? C(22) -0.523(1) 0.1104(4) 0.636(1) 0.073(3) 1.000 . Uani d ? C(31) -0.277(1) 0.0474(3) 0.6288(8) 0.045(2) 1.000 . Uani d ? C(32) -0.209(1) 0.0250(4) 0.540(1) 0.060(3) 1.000 . Uani d ? C(33) -0.144(1) -0.0238(4) 0.569(1) 0.071(4) 1.000 . Uani d ? C(34) -0.145(1) -0.0507(4) 0.687(1) 0.071(4) 1.000 . Uani d ? C(35) -0.208(1) -0.0299(5) 0.776(1) 0.074(4) 1.000 . Uani d ? C(36) -0.274(1) 0.0188(4) 0.748(1) 0.062(3) 1.000 . Uani d ? C(41) 0.429(2) 0.0464(5) -0.023(2) 0.100(6) 1.000 . Uani d ? C(42) 0.581(2) 0.0432(6) 0.069(2) 0.097(6) 1.000 . Uani d ? C(43) 0.653(2) -0.0049(8) 0.093(1) 0.099(5) 1.000 . Uani d ? H(1) -0.4635 0.1553 0.3763 0.074 1.000 . Uiso c ? H(2) -0.3401 0.1167 0.3705 0.074 1.000 . Uiso c ? H(3) -0.5011 0.0969 0.3562 0.074 1.000 . Uiso c ? H(4) -0.5834 0.1414 0.6022 0.070 1.000 . Uiso c ? H(5) -0.5870 0.0820 0.5827 0.070 1.000 . Uiso c ? H(6) -0.5007 0.1061 0.7362 0.070 1.000 . Uiso c ? H(7) -0.2103 0.0444 0.4551 0.070 1.000 . Uiso c ? H(8) -0.0986 -0.0388 0.5047 0.079 1.000 . Uiso c ? H(9) -0.0975 -0.0872 0.7072 0.081 1.000 . Uiso c ? H(10) -0.2111 -0.0495 0.8569 0.081 1.000 . Uiso c ? H(11) -0.3178 0.0333 0.8115 0.070 1.000 . Uiso c ? H(12) 0.3746 0.0811 -0.0409 0.108 1.000 . Uiso c ? H(13) 0.6353 0.0734 0.1186 0.110 1.000 . Uiso c ? H(14) 0.7655 -0.0068 0.1543 0.108 1.000 . Uiso c ? loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Pt(1) 0.0277(3) 0.0395(3) 0.0320(3) 0.0000 0.0088(2) 0.0000 Ru(1) 0.0261(5) 0.0278(5) 0.0349(4) 0.0000 0.0083(4) 0.0000 Ru(2) 0.0415(6) 0.0393(6) 0.0349(5) 0.0000 0.0252(4) 0.0000 Ru(3) 0.0329(4) 0.0218(4) 0.0334(3) -0.0012(3) 0.0143(3) -0.0033(3) Ru(4) 0.0356(5) 0.0287(5) 0.0301(4) 0.0000 0.0199(4) 0.0000 P(1) 0.045(1) 0.035(1) 0.045(1) -0.012(1) 0.0152(9) -0.009(1) O(10) 0.087(7) 0.11(1) 0.035(5) 0.0000 0.018(5) 0.0000 O(11) 0.045(7) 0.21(2) 0.106(9) 0.0000 0.006(7) 0.0000 O(12) 0.22(1) 0.065(6) 0.29(1) -0.035(7) 0.22(1) -0.010(7) O(13) 0.11(1) 0.58(4) 0.027(6) 0.0000 0.018(7) 0.0000 O(14) 0.081(5) 0.066(6) 0.104(6) 0.020(5) -0.003(4) 0.031(5) O(15) 0.041(6) 0.32(2) 0.094(8) 0.0000 0.044(6) 0.0000 O(16) 0.119(6) 0.054(5) 0.057(4) 0.000(4) 0.028(4) 0.023(4) O(17) 0.062(4) 0.072(6) 0.135(6) 0.019(4) 0.051(4) -0.029(5) O(18) 0.21(1) 0.107(8) 0.146(8) 0.025(8) 0.128(8) -0.045(6) C(1) 0.024(5) 0.032(7) 0.027(5) 0.0000 0.012(4) 0.0000 C(10) 0.050(7) 0.061(9) 0.027(6) 0.0000 0.010(5) 0.0000 C(11) 0.042(8) 0.09(1) 0.047(7) 0.0000 0.003(6) 0.0000 C(12) 0.12(1) 0.032(6) 0.119(9) -0.006(6) 0.086(8) -0.002(6) C(13) 0.07(1) 0.21(3) 0.041(8) 0.0000 0.014(8) 0.0000 C(14) 0.052(5) 0.029(5) 0.055(5) 0.003(4) 0.003(4) 0.001(4) C(15) 0.032(8) 0.11(2) 0.074(9) 0.0000 0.018(7) 0.0000 C(16) 0.059(5) 0.028(5) 0.046(5) -0.012(4) 0.012(4) -0.004(4) C(17) 0.058(6) 0.035(6) 0.064(5) -0.013(5) 0.025(4) -0.019(4) C(18) 0.093(8) 0.071(8) 0.065(6) 0.007(6) 0.051(6) -0.012(5) C(21) 0.093(8) 0.051(7) 0.044(5) -0.012(6) 0.005(5) -0.002(5) C(22) 0.038(5) 0.077(8) 0.104(8) -0.021(5) 0.026(5) -0.021(6) C(31) 0.052(5) 0.030(5) 0.053(5) -0.014(4) 0.020(4) -0.015(4) C(32) 0.076(7) 0.046(7) 0.069(6) -0.019(6) 0.041(5) -0.017(5) C(33) 0.080(7) 0.048(7) 0.101(8) -0.023(6) 0.053(6) -0.029(6) C(34) 0.092(8) 0.037(6) 0.081(7) -0.007(6) 0.030(6) -0.018(6) C(35) 0.095(8) 0.056(8) 0.073(6) -0.001(7) 0.036(6) 0.004(6) C(36) 0.096(8) 0.037(7) 0.061(5) 0.004(6) 0.039(5) -0.004(5) C(41) 0.16(2) 0.055(9) 0.13(1) 0.01(1) 0.10(1) 0.017(9) C(42) 0.14(1) 0.08(1) 0.10(1) -0.03(1) 0.08(1) -0.014(8) C(43) 0.11(1) 0.10(1) 0.097(9) 0.00(1) 0.054(8) 0.025(9) #------------------------------------------------------------------------------ _refine_special_details ; ? ; _refine_ls_structure_factor_coef F _refine_ls_matrix_type full _refine_ls_weighting_scheme 'w = 1/[\s^2^(Fo) + 0.00090|Fo|^2^]' _refine_ls_hydrogen_treatment noref _refine_ls_extinction_method 'Zachariasen (1967)' _refine_ls_extinction_coef 0.00000020(3) _refine_ls_extinction_expression 'equ(3) Acta Cryst.(1968) A24, p213.' _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_number_reflns 2637 _refine_ls_number_parameters 287 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_R_factor_all 0.0343 _refine_ls_R_factor_gt 0.0343 _refine_ls_wR_factor_all 0.0462 _refine_ls_wR_factor_ref 0.0462 _refine_ls_goodness_of_fit_all 1.301 _refine_ls_goodness_of_fit_ref 1.301 _refine_ls_shift/esd_max 0.0050 _refine_ls_shift/esd_mean 0.0020 _refine_diff_density_min -1.48 _refine_diff_density_max 0.97 #------------------------------------------------------------------------------ _geom_special_details ; ? ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag Pt(1) Ru(2) 2.780(1) . . yes Pt(1) Ru(3) 3.0327(7) . . yes Pt(1) Ru(3) 3.0327(7) . 4 yes Pt(1) Ru(4) 2.8643(8) . . yes Pt(1) C(1) 2.053(9) . . yes Pt(1) C(10) 2.12(1) . . yes Pt(1) C(11) 1.84(1) . . yes Ru(1) Ru(2) 2.956(1) . . yes Ru(1) Ru(3) 2.8194(8) . . yes Ru(1) Ru(3) 2.8194(8) . 4 yes Ru(1) Ru(4) 2.964(1) . . yes Ru(1) C(1) 2.059(9) . . yes Ru(1) C(14) 1.908(9) . . yes Ru(1) C(14) 1.908(9) . 4 yes Ru(1) C(15) 1.89(1) . . yes Ru(2) Ru(3) 2.9271(8) . . yes Ru(2) Ru(3) 2.9271(8) . 4 yes Ru(2) C(1) 2.032(9) . . yes Ru(2) C(10) 1.99(1) . . yes Ru(2) C(18) 1.91(1) . . yes Ru(2) C(18) 1.91(1) . 4 yes Ru(3) Ru(4) 2.9087(8) . . yes Ru(3) P(1) 2.344(2) . . yes Ru(3) C(1) 2.0850(9) . . yes Ru(3) C(16) 1.873(8) . . yes Ru(3) C(17) 1.89(1) . . yes Ru(4) C(1) 2.037(9) . . yes Ru(4) C(12) 1.87(1) . . yes Ru(4) C(12) 1.87(1) . 4 yes Ru(4) C(13) 1.88(1) . . yes P(1) C(21) 1.794(9) . . yes P(1) C(22) 1.820(9) . . yes P(1) C(31) 1.832(9) . . yes O(10) C(10) 1.18(1) . . yes O(11) C(11) 1.12(1) . . yes O(12) C(12) 1.15(1) . . yes O(13) C(13) 1.11(2) . . yes O(14) C(14) 1.13(1) . . yes O(15) C(15) 1.16(2) . . yes O(16) C(16) 1.148(9) . . yes O(17) C(17) 1.15(1) . . yes O(18) C(18) 1.13(1) . . yes C(21) H(1) 0.96 . . no C(21) H(2) 0.95 . . no C(21) H(3) 0.99 . . no C(22) H(4) 0.96 . . no C(22) H(5) 0.96 . . no C(22) H(6) 0.95 . . no C(31) C(32) 1.41(1) . . yes C(31) C(36) 1.39(1) . . yes C(32) C(33) 1.39(1) . . yes C(32) H(7) 0.98 . . no C(33) C(34) 1.37(1) . . yes C(33) H(8) 0.99 . . no C(34) C(35) 1.36(1) . . yes C(34) H(9) 1.03 . . no C(35) C(36) 1.39(1) . . yes C(35) H(10) 0.97 . . no C(36) H(11) 0.96 . . no C(41) C(42) 1.36(2) . . yes C(41) C(43) 1.35(2) . 3_655 yes C(41) H(12) 1.02 . . no C(42) C(43) 1.39(2) . . yes C(42) H(13) 0.96 . . no C(43) H(14) 0.99 . . no #------------------------------------------------------------------------------ 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_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag Ru(2) Pt(1) Ru(3) 60.28(2) . . . yes Ru(2) Pt(1) Ru(3) 60.28(2) . . 4 yes Ru(2) Pt(1) Ru(4) 92.10(3) . . . yes Ru(2) Pt(1) C(1) 46.8(2) . . . yes Ru(2) Pt(1) C(10) 45.6(3) . . . yes Ru(2) Pt(1) C(11) 147.3(4) . . . yes Ru(3) Pt(1) Ru(3) 86.56(2) . . 4 yes Ru(3) Pt(1) Ru(4) 59.03(1) . . . yes Ru(3) Pt(1) C(1) 43.28(1) . . . yes Ru(3) Pt(1) C(10) 92.0(2) . . . yes Ru(3) Pt(1) C(11) 134.8(1) . . . yes Ru(3) Pt(1) Ru(4) 59.03(1) 4 . . yes Ru(3) Pt(1) C(1) 43.28(1) 4 . . yes Ru(3) Pt(1) C(10) 92.0(2) 4 . . yes Ru(3) Pt(1) C(11) 134.8(1) 4 . . yes Ru(4) Pt(1) C(1) 45.3(2) . . . yes Ru(4) Pt(1) C(10) 137.7(3) . . . yes Ru(4) Pt(1) C(11) 120.6(4) . . . yes C(1) Pt(1) C(10) 92.4(4) . . . yes C(1) Pt(1) C(11) 165.9(5) . . . yes C(10) Pt(1) C(11) 101.7(5) . . . yes Ru(2) Ru(1) Ru(3) 60.85(2) . . . yes Ru(2) Ru(1) Ru(3) 60.85(2) . . 4 yes Ru(2) Ru(1) Ru(4) 86.70(3) . . . yes Ru(2) Ru(1) C(1) 43.4(2) . . . yes Ru(2) Ru(1) C(14) 129.6(3) . . . yes Ru(2) Ru(1) C(14) 129.6(3) . . 4 yes Ru(2) Ru(1) C(15) 61.4(4) . . . yes Ru(3) Ru(1) Ru(3) 95.03(3) . . 4 yes Ru(3) Ru(1) Ru(4) 60.32(2) . . . yes Ru(3) Ru(1) C(1) 47.52(2) . . . yes Ru(3) Ru(1) C(14) 83.6(3) . . . yes Ru(3) Ru(1) C(14) 164.7(3) . . 4 yes Ru(3) Ru(1) C(15) 100.2(3) . . . yes Ru(3) Ru(1) Ru(4) 60.32(2) 4 . . yes Ru(3) Ru(1) C(1) 47.52(2) 4 . . yes Ru(3) Ru(1) C(14) 164.7(3) 4 . . yes Ru(3) Ru(1) C(14) 83.6(3) 4 . 4 yes Ru(3) Ru(1) C(15) 100.2(3) 4 . . yes Ru(4) Ru(1) C(1) 43.3(2) . . . yes Ru(4) Ru(1) C(14) 106.5(3) . . . yes Ru(4) Ru(1) C(14) 106.5(3) . . 4 yes Ru(4) Ru(1) C(15) 148.1(4) . . . yes C(1) Ru(1) C(14) 129.3(3) . . . yes C(1) Ru(1) C(14) 129.3(3) . . 4 yes C(1) Ru(1) C(15) 104.7(5) . . . yes C(14) Ru(1) C(14) 93.7(5) . . 4 yes C(14) Ru(1) C(15) 95.1(4) . . . yes C(14) Ru(1) C(15) 95.1(4) 4 . . yes Pt(1) Ru(2) Ru(1) 91.51(3) . . . yes Pt(1) Ru(2) Ru(3) 64.14(2) . . . yes Pt(1) Ru(2) Ru(3) 64.14(2) . . 4 yes Pt(1) Ru(2) C(1) 47.4(2) . . . yes Pt(1) Ru(2) C(10) 49.5(3) . . . yes Pt(1) Ru(2) C(18) 122.3(3) . . . yes Pt(1) Ru(2) C(18) 122.3(3) . . 4 yes Ru(1) Ru(2) Ru(3) 57.27(2) . . . yes Ru(1) Ru(2) Ru(3) 57.27(2) . . 4 yes Ru(1) Ru(2) C(1) 44.1(2) . . . yes Ru(1) Ru(2) C(10) 141.0(3) . . . yes Ru(1) Ru(2) C(18) 113.5(3) . . . yes Ru(1) Ru(2) C(18) 113.5(3) . . 4 yes Ru(3) Ru(2) Ru(3) 90.52(3) . . 4 yes Ru(3) Ru(2) C(1) 45.42(2) . . . yes Ru(3) Ru(2) C(10) 97.8(2) . . . yes Ru(3) Ru(2) C(18) 86.3(3) . . . yes Ru(3) Ru(2) C(18) 170.1(3) . . 4 yes Ru(3) Ru(2) C(1) 45.42(2) 4 . . yes Ru(3) Ru(2) C(10) 97.8(2) 4 . . yes Ru(3) Ru(2) C(18) 170.1(3) 4 . . yes Ru(3) Ru(2) C(18) 86.3(3) 4 . 4 yes C(1) Ru(2) C(10) 96.9(4) . . . yes C(1) Ru(2) C(18) 131.7(3) . . . yes C(1) Ru(2) C(18) 131.7(3) . . 4 yes C(10) Ru(2) C(18) 91.9(4) . . . yes C(10) Ru(2) C(18) 91.9(4) . . 4 yes C(18) Ru(2) C(18) 95.2(6) . . 4 yes Pt(1) Ru(3) Ru(1) 89.18(2) . . . yes Pt(1) Ru(3) Ru(2) 55.58(2) . . . yes Pt(1) Ru(3) Ru(4) 57.60(2) . . . yes Pt(1) Ru(3) P(1) 81.60(6) . . . yes Pt(1) Ru(3) C(1) 42.5(2) . . . yes Pt(1) Ru(3) C(16) 129.8(3) . . . yes Pt(1) Ru(3) C(17) 137.4(3) . . . yes Ru(1) Ru(3) Ru(2) 61.88(2) . . . yes Ru(1) Ru(3) Ru(4) 62.31(3) . . . yes Ru(1) Ru(3) P(1) 169.95(6) . . . yes Ru(1) Ru(3) C(1) 46.7(2) . . . yes Ru(1) Ru(3) C(16) 99.0(2) . . . yes Ru(1) Ru(3) C(17) 93.3(3) . . . yes Ru(2) Ru(3) Ru(4) 88.28(2) . . . yes Ru(2) Ru(3) P(1) 109.12(6) . . . yes Ru(2) Ru(3) C(1) 44.0(2) . . . yes Ru(2) Ru(3) C(16) 160.8(2) . . . yes Ru(2) Ru(3) C(17) 88.7(3) . . . yes Ru(4) Ru(3) P(1) 114.94(6) . . . yes Ru(4) Ru(3) C(1) 44.4(2) . . . yes Ru(4) Ru(3) C(16) 82.8(3) . . . yes Ru(4) Ru(3) C(17) 153.6(2) . . . yes P(1) Ru(3) C(1) 124.0(2) . . . yes P(1) Ru(3) C(16) 90.0(2) . . . yes P(1) Ru(3) C(17) 90.8(3) . . . yes C(1) Ru(3) C(16) 124.1(3) . . . yes C(1) Ru(3) C(17) 125.8(4) . . . yes C(16) Ru(3) C(17) 91.8(4) . . . yes Pt(1) Ru(4) Ru(1) 89.69(3) . . . yes Pt(1) Ru(4) Ru(3) 63.37(2) . . . yes Pt(1) Ru(4) Ru(3) 63.37(2) . . 4 yes Pt(1) Ru(4) C(1) 45.8(2) . . . yes Pt(1) Ru(4) C(12) 98.7(4) . . . yes Pt(1) Ru(4) C(12) 98.7(4) . . 4 yes Pt(1) Ru(4) C(13) 162.0(5) . . . yes Ru(1) Ru(4) Ru(3) 57.37(2) . . . yes Ru(1) Ru(4) Ru(3) 57.37(2) . . 4 yes Ru(1) Ru(4) C(1) 43.9(2) . . . yes Ru(1) Ru(4) C(12) 134.7(3) . . . yes Ru(1) Ru(4) C(12) 134.7(3) . . 4 yes Ru(1) Ru(4) C(13) 72.4(5) . . . yes Ru(3) Ru(4) Ru(3) 91.26(3) . . 4 yes Ru(3) Ru(4) C(1) 45.79(2) . . . yes Ru(3) Ru(4) C(12) 87.0(3) . . . yes Ru(3) Ru(4) C(12) 160.4(4) . . 4 yes Ru(3) Ru(4) C(13) 105.1(4) . . . yes Ru(3) Ru(4) C(1) 45.79(2) 4 . . yes Ru(3) Ru(4) C(12) 160.4(4) 4 . . yes Ru(3) Ru(4) C(12) 87.0(3) 4 . 4 yes Ru(3) Ru(4) C(13) 105.1(4) 4 . . yes C(1) Ru(4) C(12) 127.5(3) . . . yes C(1) Ru(4) C(12) 127.5(3) . . 4 yes C(1) Ru(4) C(13) 116.3(6) . . . yes C(12) Ru(4) C(12) 88.2(6) . . 4 yes C(12) Ru(4) C(13) 94.2(5) . . . yes C(12) Ru(4) C(13) 94.2(5) 4 . . yes Ru(3) P(1) C(21) 117.8(3) . . . yes Ru(3) P(1) C(22) 117.1(3) . . . yes Ru(3) P(1) C(31) 110.1(3) . . . yes C(21) P(1) C(22) 103.6(5) . . . yes C(21) P(1) C(31) 103.3(4) . . . yes C(22) P(1) C(31) 103.1(5) . . . yes Pt(1) C(1) Ru(1) 178.3(5) . . . yes Pt(1) C(1) Ru(2) 85.8(3) . . . yes Pt(1) C(1) Ru(3) 94.3(2) . . . yes Pt(1) C(1) Ru(3) 94.3(2) . . 4 yes Pt(1) C(1) Ru(4) 88.9(4) . . . yes Ru(1) C(1) Ru(2) 92.5(4) . . . yes Ru(1) C(1) Ru(3) 85.7(2) . . . yes Ru(1) C(1) Ru(3) 85.7(2) . . 4 yes Ru(1) C(1) Ru(4) 92.7(3) . . . yes Ru(2) C(1) Ru(3) 90.6(2) . . . yes Ru(2) C(1) Ru(3) 90.6(2) . . 4 yes Ru(2) C(1) Ru(4) 174.7(5) . . . yes Ru(3) C(1) Ru(3) 171.4(5) . . 4 yes Ru(3) C(1) Ru(4) 89.8(2) . . . yes Ru(3) C(1) Ru(4) 89.8(2) 4 . . yes Pt(1) C(10) Ru(2) 84.9(4) . . . yes Pt(1) C(10) O(10) 132(1) . . . yes Ru(2) C(10) O(10) 144(1) . . . yes Pt(1) C(11) O(11) 180(1) . . . yes Ru(4) C(12) O(12) 175(1) . . . yes Ru(4) C(13) O(13) 174(2) . . . yes Ru(1) C(14) O(14) 177.5(9) . . . yes Ru(1) C(15) O(15) 162(1) . . . yes Ru(3) C(16) O(16) 176.1(8) . . . yes Ru(3) C(17) O(17) 174.6(8) . . . yes Ru(2) C(18) O(18) 178(1) . . . yes P(1) C(21) H(1) 112.4 . . . no P(1) C(21) H(2) 112.9 . . . no P(1) C(21) H(3) 110.7 . . . no H(1) C(21) H(2) 109.0 . . . no H(1) C(21) H(3) 105.3 . . . no H(2) C(21) H(3) 106.0 . . . no P(1) C(22) H(4) 110.3 . . . no P(1) C(22) H(5) 110.5 . . . no P(1) C(22) H(6) 111.5 . . . no H(4) C(22) H(5) 107.2 . . . no H(4) C(22) H(6) 108.6 . . . no H(5) C(22) H(6) 108.5 . . . no P(1) C(31) C(32) 121.5(7) . . . yes P(1) C(31) C(36) 120.8(7) . . . yes C(32) C(31) C(36) 117.4(9) . . . yes C(31) C(32) C(33) 120.9(9) . . . yes C(31) C(32) H(7) 118.7 . . . no C(33) C(32) H(7) 120.3 . . . no C(32) C(33) C(34) 119.8(9) . . . yes C(32) C(33) H(8) 119.5 . . . no C(34) C(33) H(8) 120.7 . . . no C(33) C(34) C(35) 121(1) . . . yes C(33) C(34) H(9) 119.0 . . . no C(35) C(34) H(9) 120.4 . . . no C(34) C(35) C(36) 121(1) . . . yes C(34) C(35) H(10) 120.1 . . . no C(36) C(35) H(10) 119.4 . . . no C(31) C(36) C(35) 120.8(9) . . . yes C(31) C(36) H(11) 119.3 . . . no C(35) C(36) H(11) 119.9 . . . no C(42) C(41) C(43) 122(1) . . 3_655 yes C(42) C(41) H(12) 119.5 . . . no C(43) C(41) H(12) 118.3 3_655 . . no C(41) C(42) C(43) 119(1) . . . yes C(41) C(42) H(13) 120.0 . . . no C(43) C(42) H(13) 121.4 . . . no C(41) C(43) C(42) 119(1) 3_655 . . yes C(41) C(43) H(14) 121.9 3_655 . . no C(42) C(43) H(14) 118.5 . . . no #------------------------------------------------------------------------------ loop_ _geom_contact_atom_site_label_1 _geom_contact_atom_site_label_2 _geom_contact_distance _geom_contact_site_symmetry_1 _geom_contact_site_symmetry_2 _geom_contact_publ_flag O(11) O(13) 2.79(2) . 1_454 no O(11) O(15) 3.20(2) . 1_455 no O(11) O(18) 3.36(1) . 1_455 no O(11) O(18) 3.36(1) . 4_455 no O(11) C(18) 3.44(2) . 1_455 no O(11) C(18) 3.44(2) . 4_455 no O(12) O(15) 3.17(1) . 1_455 no O(12) C(41) 3.45(2) . 1_456 no O(12) C(42) 3.52(2) . 1_456 no O(12) O(14) 3.59(1) . 1_455 no O(13) O(18) 2.99(1) . 1_556 no O(13) O(18) 2.99(1) . 4_556 no O(13) C(18) 3.04(1) . 1_556 no O(13) C(18) 3.04(1) . 4_556 no O(15) C(12) 3.21(2) . 1_655 no O(15) C(12) 3.21(2) . 4_655 no O(15) C(11) 3.22(2) . 1_655 no O(16) C(34) 3.34(1) . 3_557 no O(16) C(42) 3.53(2) . 1_456 no O(16) C(35) 3.55(1) . 3_557 no O(17) C(41) 3.52(2) . 1_556 no O(17) C(43) 3.52(2) . 3_656 no O(18) C(34) 3.58(1) . 3_556 no #------------------------------------------------------------------------------ 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_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag Pt(1) Ru(2) Ru(1) Ru(3) . . . . 57.61(2) no Pt(1) Ru(2) Ru(1) Ru(3) . . . 4 -57.61(2) no Pt(1) Ru(2) Ru(1) Ru(4) . . . . 0.0000(3) no Pt(1) Ru(2) Ru(1) C(1) . . . . 0.0000(1) no Pt(1) Ru(2) Ru(1) C(14) . . . . 108.8(4) no Pt(1) Ru(2) Ru(1) C(14) . . . 4 -108.8(4) no Pt(1) Ru(2) Ru(1) C(15) . . . . 180.0000(2) no Pt(1) Ru(2) Ru(3) Ru(1) . . . . -110.27(2) no Pt(1) Ru(2) Ru(3) Ru(4) . . . . -51.00(2) no Pt(1) Ru(2) Ru(3) P(1) . . . . 64.85(6) no Pt(1) Ru(2) Ru(3) C(1) . . . . -54.7(3) no Pt(1) Ru(2) Ru(3) C(16) . . . . -113.1(9) no Pt(1) Ru(2) Ru(3) C(17) . . . . 155.3(2) no Pt(1) Ru(2) Ru(3) Ru(1) . . 4 . 110.27(2) no Pt(1) Ru(2) Ru(3) Ru(4) . . 4 . 51.00(2) no Pt(1) Ru(2) Ru(3) P(1) . . 4 4 -64.85(6) no Pt(1) Ru(2) Ru(3) C(1) . . 4 . 54.7(3) no Pt(1) Ru(2) Ru(3) C(16) . . 4 4 113.1(9) no Pt(1) Ru(2) Ru(3) C(17) . . 4 4 -155.3(2) no Pt(1) Ru(2) C(1) Ru(1) . . . . 180.0000(3) no Pt(1) Ru(2) C(1) Ru(3) . . . . 94.2(2) no Pt(1) Ru(2) C(1) Ru(3) . . . 4 -94.2(2) no Pt(1) Ru(2) C(1) Ru(4) . . . . 0.0000(4) no Pt(1) Ru(2) C(10) O(10) . . . . 180.0000(1) no Pt(1) Ru(2) C(18) O(18) . . . . 79.2(3) no Pt(1) Ru(2) C(18) O(18) . . 4 4 -79.2(3) no Pt(1) Ru(3) Ru(1) Ru(2) . . . . -50.71(2) no Pt(1) Ru(3) Ru(1) Ru(3) . . . 4 1.78(3) no Pt(1) Ru(3) Ru(1) Ru(4) . . . . 53.30(2) no Pt(1) Ru(3) Ru(1) C(1) . . . . 1.1(3) no Pt(1) Ru(3) Ru(1) C(14) . . . . 166.4(3) no Pt(1) Ru(3) Ru(1) C(14) . . . 4 86.0(9) no Pt(1) Ru(3) Ru(1) C(15) . . . . -99.6(3) no Pt(1) Ru(3) Ru(2) Ru(1) . . . . 110.27(2) no Pt(1) Ru(3) Ru(2) Ru(3) . . . 4 60.71(2) no Pt(1) Ru(3) Ru(2) C(1) . . . . 54.7(3) no Pt(1) Ru(3) Ru(2) C(10) . . . . -37.3(2) no Pt(1) Ru(3) Ru(2) C(18) . . . . -128.7(3) no Pt(1) Ru(3) Ru(2) C(18) . . . 4 132(2) no Pt(1) Ru(3) Ru(4) Ru(1) . . . . -108.29(2) no Pt(1) Ru(3) Ru(4) Ru(3) . . . 4 -59.17(2) no Pt(1) Ru(3) Ru(4) C(1) . . . . -53.1(3) no Pt(1) Ru(3) Ru(4) C(12) . . . . 101.3(4) no Pt(1) Ru(3) Ru(4) C(12) . . . 4 25.4(9) no Pt(1) Ru(3) Ru(4) C(13) . . . . -165.2(4) no Pt(1) Ru(3) P(1) C(21) . . . . 56.2(4) no Pt(1) Ru(3) P(1) C(22) . . . . -68.5(4) no Pt(1) Ru(3) P(1) C(31) . . . . 174.2(3) no Pt(1) Ru(3) C(1) Ru(1) . . . . -178.3(5) no Pt(1) Ru(3) C(1) Ru(2) . . . . -85.8(3) no Pt(1) Ru(3) C(1) Ru(3) . . . 4 176(4) no Pt(1) Ru(3) C(1) Ru(4) . . . . 88.9(4) no Pt(1) Ru(3) C(16) O(16) . . . . -147.9(1) no Pt(1) Ru(3) C(17) O(17) . . . . 136(9) no Pt(1) Ru(3) Ru(1) Ru(2) . 4 . . 50.71(2) no Pt(1) Ru(3) Ru(1) Ru(3) . 4 . . -1.78(3) no Pt(1) Ru(3) Ru(1) Ru(4) . 4 . . -53.30(2) no Pt(1) Ru(3) Ru(1) C(1) . 4 . . -1.1(3) no Pt(1) Ru(3) Ru(1) C(14) . 4 . . -86.0(9) no Pt(1) Ru(3) Ru(1) C(14) . 4 . 4 -166.4(3) no Pt(1) Ru(3) Ru(1) C(15) . 4 . . 99.6(3) no Pt(1) Ru(3) Ru(2) Ru(1) . 4 . . -110.27(2) no Pt(1) Ru(3) Ru(2) Ru(3) . 4 . . -60.71(2) no Pt(1) Ru(3) Ru(2) C(1) . 4 . . -54.7(3) no Pt(1) Ru(3) Ru(2) C(10) . 4 . . 37.3(2) no Pt(1) Ru(3) Ru(2) C(18) . 4 . . -132(2) no Pt(1) Ru(3) Ru(2) C(18) . 4 . 4 128.7(3) no Pt(1) Ru(3) Ru(4) Ru(1) . 4 . . 108.29(2) no Pt(1) Ru(3) Ru(4) Ru(3) . 4 . . 59.17(2) no Pt(1) Ru(3) Ru(4) C(1) . 4 . . 53.1(3) no Pt(1) Ru(3) Ru(4) C(12) . 4 . . -25.4(9) no Pt(1) Ru(3) Ru(4) C(12) . 4 . 4 -101.3(4) no Pt(1) Ru(3) Ru(4) C(13) . 4 . . 165.2(4) no Pt(1) Ru(3) C(1) Ru(1) . 4 . . 178.3(5) no Pt(1) Ru(3) C(1) Ru(2) . 4 . . 85.8(3) no Pt(1) Ru(3) C(1) Ru(3) . 4 . . -176(4) no Pt(1) Ru(3) C(1) Ru(4) . 4 . . -88.9(4) no Pt(1) Ru(3) C(16) O(16) . 4 4 4 147.9(1) no Pt(1) Ru(4) Ru(1) Ru(2) . . . . 0.0000(2) no Pt(1) Ru(4) Ru(1) Ru(3) . . . . -58.08(2) no Pt(1) Ru(4) Ru(1) Ru(3) . . . 4 58.08(2) no Pt(1) Ru(4) Ru(1) C(1) . . . . 0.0000(1) no Pt(1) Ru(4) Ru(1) C(14) . . . . -130.5(3) no Pt(1) Ru(4) Ru(1) C(14) . . . 4 130.5(3) no Pt(1) Ru(4) Ru(1) C(15) . . . . 0.0000 no Pt(1) Ru(4) Ru(3) Ru(1) . . . . 108.29(2) no Pt(1) Ru(4) Ru(3) Ru(2) . . . . 49.40(2) no Pt(1) Ru(4) Ru(3) P(1) . . . . -60.93(6) no Pt(1) Ru(4) Ru(3) C(1) . . . . 53.1(3) no Pt(1) Ru(4) Ru(3) C(16) . . . . -147.6(3) no Pt(1) Ru(4) Ru(3) C(17) . . . . 133.0(6) no Pt(1) Ru(4) Ru(3) Ru(1) . . 4 . -108.29(2) no Pt(1) Ru(4) Ru(3) Ru(2) . . 4 . -49.40(2) no Pt(1) Ru(4) Ru(3) P(1) . . 4 4 60.93(6) no Pt(1) Ru(4) Ru(3) C(1) . . 4 . -53.1(3) no Pt(1) Ru(4) Ru(3) C(16) . . 4 4 147.6(3) no Pt(1) Ru(4) Ru(3) C(17) . . 4 4 -133.0(6) no Pt(1) Ru(4) C(1) Ru(1) . . . . 180.0000(3) no Pt(1) Ru(4) C(1) Ru(2) . . . . 0.0000 no Pt(1) Ru(4) C(1) Ru(3) . . . . -94.3(2) no Pt(1) Ru(4) C(1) Ru(3) . . . 4 94.3(2) no Pt(1) Ru(4) C(12) O(12) . . . . -108.5(2) no Pt(1) Ru(4) C(12) O(12) . . 4 4 108.5(2) no Pt(1) Ru(4) C(13) O(13) . . . . 180.0000(1) no Pt(1) C(1) Ru(1) Ru(2) . . . . 0.0000(1) no Pt(1) C(1) Ru(1) Ru(3) . . . . -90.4(2) no Pt(1) C(1) Ru(1) Ru(3) . . . 4 90.4(2) no Pt(1) C(1) Ru(1) Ru(4) . . . . 180.0000(1) no Pt(1) C(1) Ru(1) C(14) . . . . -109.5(4) no Pt(1) C(1) Ru(1) C(14) . . . 4 109.5(4) no Pt(1) C(1) Ru(1) C(15) . . . . 0.0000(2) no Pt(1) C(1) Ru(2) Ru(1) . . . . 180.0000(3) no Pt(1) C(1) Ru(2) Ru(3) . . . . -94.2(2) no Pt(1) C(1) Ru(2) Ru(3) . . . 4 94.2(2) no Pt(1) C(1) Ru(2) C(10) . . . . 0.0000 no Pt(1) C(1) Ru(2) C(18) . . . . -98.8(5) no Pt(1) C(1) Ru(2) C(18) . . . 4 98.8(5) no Pt(1) C(1) Ru(3) Ru(1) . . . . 178.3(5) no Pt(1) C(1) Ru(3) Ru(2) . . . . 85.8(3) no Pt(1) C(1) Ru(3) Ru(4) . . . . -88.9(4) no Pt(1) C(1) Ru(3) P(1) . . . . 3.3(4) no Pt(1) C(1) Ru(3) C(16) . . . . -113.9(4) no Pt(1) C(1) Ru(3) C(17) . . . . 123.8(4) no Pt(1) C(1) Ru(3) Ru(1) . . 4 . -178.3(5) no Pt(1) C(1) Ru(3) Ru(2) . . 4 . -85.8(3) no Pt(1) C(1) Ru(3) Ru(4) . . 4 . 88.9(4) no Pt(1) C(1) Ru(3) P(1) . . 4 4 -3.3(4) no Pt(1) C(1) Ru(3) C(16) . . 4 4 113.9(4) no Pt(1) C(1) Ru(3) C(17) . . 4 4 -123.8(4) no Pt(1) C(1) Ru(4) Ru(1) . . . . 180.0000(3) no Pt(1) C(1) Ru(4) Ru(3) . . . . 94.3(2) no Pt(1) C(1) Ru(4) Ru(3) . . . 4 -94.3(2) no Pt(1) C(1) Ru(4) C(12) . . . . 61.2(5) no Pt(1) C(1) Ru(4) C(12) . . . 4 -61.2(5) no Pt(1) C(1) Ru(4) C(13) . . . . 180.0000(1) no Pt(1) C(10) Ru(2) Ru(1) . . . . 0.0000(1) no Pt(1) C(10) Ru(2) Ru(3) . . . . 45.81(4) no Pt(1) C(10) Ru(2) Ru(3) . . . 4 -45.81(4) no Pt(1) C(10) Ru(2) C(1) . . . . 0.0000 no Pt(1) C(10) Ru(2) C(18) . . . . 132.4(3) no Pt(1) C(10) Ru(2) C(18) . . . 4 -132.4(3) no Ru(1) Ru(2) Pt(1) Ru(3) . . . . -52.13(1) no Ru(1) Ru(2) Pt(1) Ru(3) . . . 4 52.13(1) no Ru(1) Ru(2) Pt(1) Ru(4) . . . . 0.0000(1) no Ru(1) Ru(2) Pt(1) C(1) . . . . 0.0000(1) no Ru(1) Ru(2) Pt(1) C(10) . . . . 180.0000(1) no Ru(1) Ru(2) Pt(1) C(11) . . . . 180.0000(1) no Ru(1) Ru(2) Ru(3) Ru(4) . . . . 59.27(3) no Ru(1) Ru(2) Ru(3) P(1) . . . . 175.12(7) no Ru(1) Ru(2) Ru(3) C(1) . . . . 55.6(3) no Ru(1) Ru(2) Ru(3) C(16) . . . . -2.8(9) no Ru(1) Ru(2) Ru(3) C(17) . . . . -94.5(2) no Ru(1) Ru(2) Ru(3) Ru(4) . . 4 . -59.27(3) no Ru(1) Ru(2) Ru(3) P(1) . . 4 4 -175.12(7) no Ru(1) Ru(2) Ru(3) C(1) . . 4 . -55.6(3) no Ru(1) Ru(2) Ru(3) C(16) . . 4 4 2.8(9) no Ru(1) Ru(2) Ru(3) C(17) . . 4 4 94.5(2) no Ru(1) Ru(2) C(1) Ru(3) . . . . -85.8(2) no Ru(1) Ru(2) C(1) Ru(3) . . . 4 85.8(2) no Ru(1) Ru(2) C(1) Ru(4) . . . . 180.0000 no Ru(1) Ru(2) C(10) O(10) . . . . 180.0000(1) no Ru(1) Ru(2) C(18) O(18) . . . . -172.9(3) no Ru(1) Ru(2) C(18) O(18) . . 4 4 172.9(3) no Ru(1) Ru(3) Pt(1) Ru(2) . . . . 55.83(2) no Ru(1) Ru(3) Pt(1) Ru(3) . . . 4 -1.65(3) no Ru(1) Ru(3) Pt(1) Ru(4) . . . . -57.23(2) no Ru(1) Ru(3) Pt(1) C(1) . . . . -1.2(4) no Ru(1) Ru(3) Pt(1) C(10) . . . . 90.2(2) no Ru(1) Ru(3) Pt(1) C(11) . . . . -161.2(6) no Ru(1) Ru(3) Ru(2) Ru(3) . . . 4 -49.56(3) no Ru(1) Ru(3) Ru(2) C(1) . . . . -55.6(3) no Ru(1) Ru(3) Ru(2) C(10) . . . . -147.6(2) no Ru(1) Ru(3) Ru(2) C(18) . . . . 121.0(3) no Ru(1) Ru(3) Ru(2) C(18) . . . 4 22(2) no Ru(1) Ru(3) Ru(4) Ru(3) . . . 4 49.11(2) no Ru(1) Ru(3) Ru(4) C(1) . . . . 55.2(3) no Ru(1) Ru(3) Ru(4) C(12) . . . . -150.4(4) no Ru(1) Ru(3) Ru(4) C(12) . . . 4 133.6(9) no Ru(1) Ru(3) Ru(4) C(13) . . . . -56.9(4) no Ru(1) Ru(3) P(1) C(21) . . . . 32.7(6) no Ru(1) Ru(3) P(1) C(22) . . . . -92.0(5) no Ru(1) Ru(3) P(1) C(31) . . . . 150.7(4) no Ru(1) Ru(3) C(1) Ru(2) . . . . 92.5(4) no Ru(1) Ru(3) C(1) Ru(3) . . . 4 -6(3) no Ru(1) Ru(3) C(1) Ru(4) . . . . -92.8(3) no Ru(1) Ru(3) C(16) O(16) . . . . -51.4(1) no Ru(1) Ru(3) C(17) O(17) . . . . 44(9) no Ru(1) Ru(3) Pt(1) Ru(2) . 4 . . -55.83(2) no Ru(1) Ru(3) Pt(1) Ru(3) . 4 . . 1.65(3) no Ru(1) Ru(3) Pt(1) Ru(4) . 4 . . 57.23(2) no Ru(1) Ru(3) Pt(1) C(1) . 4 . . 1.2(4) no Ru(1) Ru(3) Pt(1) C(10) . 4 . . -90.2(2) no Ru(1) Ru(3) Pt(1) C(11) . 4 . . 161.2(6) no Ru(1) Ru(3) Ru(2) Ru(3) . 4 . . 49.56(3) no Ru(1) Ru(3) Ru(2) C(1) . 4 . . 55.6(3) no Ru(1) Ru(3) Ru(2) C(10) . 4 . . 147.6(2) no Ru(1) Ru(3) Ru(2) C(18) . 4 . . -22(2) no Ru(1) Ru(3) Ru(2) C(18) . 4 . 4 -121.0(3) no Ru(1) Ru(3) Ru(4) Ru(3) . 4 . . -49.11(2) no Ru(1) Ru(3) Ru(4) C(1) . 4 . . -55.2(3) no Ru(1) Ru(3) Ru(4) C(12) . 4 . . -133.6(9) no Ru(1) Ru(3) Ru(4) C(12) . 4 . 4 150.4(4) no Ru(1) Ru(3) Ru(4) C(13) . 4 . . 56.9(4) no Ru(1) Ru(3) C(1) Ru(2) . 4 . . -92.5(4) no Ru(1) Ru(3) C(1) Ru(3) . 4 . . 6(3) no Ru(1) Ru(3) C(1) Ru(4) . 4 . . 92.8(3) no Ru(1) Ru(3) C(16) O(16) . 4 4 4 51.4(1) no Ru(1) Ru(4) Pt(1) Ru(2) . . . . 0.0000(1) no Ru(1) Ru(4) Pt(1) Ru(3) . . . . 53.09(2) no Ru(1) Ru(4) Pt(1) Ru(3) . . . 4 -53.09(2) no Ru(1) Ru(4) Pt(1) C(1) . . . . 0.0000 no Ru(1) Ru(4) Pt(1) C(10) . . . . 0.0000 no Ru(1) Ru(4) Pt(1) C(11) . . . . 180.0000 no Ru(1) Ru(4) Ru(3) Ru(2) . . . . -58.88(3) no Ru(1) Ru(4) Ru(3) P(1) . . . . -169.22(7) no Ru(1) Ru(4) Ru(3) C(1) . . . . -55.2(3) no Ru(1) Ru(4) Ru(3) C(16) . . . . 104.1(3) no Ru(1) Ru(4) Ru(3) C(17) . . . . 24.8(6) no Ru(1) Ru(4) Ru(3) Ru(2) . . 4 . 58.88(3) no Ru(1) Ru(4) Ru(3) P(1) . . 4 4 169.22(7) no Ru(1) Ru(4) Ru(3) C(1) . . 4 . 55.2(3) no Ru(1) Ru(4) Ru(3) C(16) . . 4 4 -104.1(3) no Ru(1) Ru(4) Ru(3) C(17) . . 4 4 -24.8(6) no Ru(1) Ru(4) C(1) Ru(2) . . . . 180.0000(1) no Ru(1) Ru(4) C(1) Ru(3) . . . . 85.7(2) no Ru(1) Ru(4) C(1) Ru(3) . . . 4 -85.7(2) no Ru(1) Ru(4) C(12) O(12) . . . . 153.3(2) no Ru(1) Ru(4) C(12) O(12) . . 4 4 -153.3(2) no Ru(1) Ru(4) C(13) O(13) . . . . 180.0000(1) no Ru(1) C(1) Pt(1) Ru(2) . . . . 0.0000(1) no Ru(1) C(1) Pt(1) Ru(3) . . . . 90.3(3) no Ru(1) C(1) Pt(1) Ru(3) . . . 4 -90.3(3) no Ru(1) C(1) Pt(1) Ru(4) . . . . 180.0000 no Ru(1) C(1) Pt(1) C(10) . . . . 0.0000 no Ru(1) C(1) Pt(1) C(11) . . . . 180.0000(3) no Ru(1) C(1) Ru(2) Ru(3) . . . . 85.8(2) no Ru(1) C(1) Ru(2) Ru(3) . . . 4 -85.8(2) no Ru(1) C(1) Ru(2) C(10) . . . . 180.0000 no Ru(1) C(1) Ru(2) C(18) . . . . 81.2(5) no Ru(1) C(1) Ru(2) C(18) . . . 4 -81.2(5) no Ru(1) C(1) Ru(3) Ru(2) . . . . -92.5(4) no Ru(1) C(1) Ru(3) Ru(4) . . . . 92.8(3) no Ru(1) C(1) Ru(3) P(1) . . . . -175.02(9) no Ru(1) C(1) Ru(3) C(16) . . . . 67.8(5) no Ru(1) C(1) Ru(3) C(17) . . . . -54.5(5) no Ru(1) C(1) Ru(3) Ru(2) . . 4 . 92.5(4) no Ru(1) C(1) Ru(3) Ru(4) . . 4 . -92.8(3) no Ru(1) C(1) Ru(3) P(1) . . 4 4 175.02(9) no Ru(1) C(1) Ru(3) C(16) . . 4 4 -67.8(5) no Ru(1) C(1) Ru(3) C(17) . . 4 4 54.5(5) no Ru(1) C(1) Ru(4) Ru(3) . . . . -85.7(2) no Ru(1) C(1) Ru(4) Ru(3) . . . 4 85.7(2) no Ru(1) C(1) Ru(4) C(12) . . . . -118.8(5) no Ru(1) C(1) Ru(4) C(12) . . . 4 118.8(5) no Ru(1) C(1) Ru(4) C(13) . . . . 0.0000(1) no Ru(2) Pt(1) Ru(3) Ru(4) . . . . 113.06(2) no Ru(2) Pt(1) Ru(3) P(1) . . . . -120.17(6) no Ru(2) Pt(1) Ru(3) C(1) . . . . 57.0(4) no Ru(2) Pt(1) Ru(3) C(16) . . . . 156.8(3) no Ru(2) Pt(1) Ru(3) C(17) . . . . -38.2(4) no Ru(2) Pt(1) Ru(3) Ru(4) . . 4 . -113.06(2) no Ru(2) Pt(1) Ru(3) P(1) . . 4 4 120.17(6) no Ru(2) Pt(1) Ru(3) C(1) . . 4 . -57.0(4) no Ru(2) Pt(1) Ru(3) C(16) . . 4 4 -156.8(3) no Ru(2) Pt(1) Ru(3) C(17) . . 4 4 38.2(4) no Ru(2) Pt(1) Ru(4) Ru(3) . . . . -53.09(2) no Ru(2) Pt(1) Ru(4) Ru(3) . . . 4 53.09(2) no Ru(2) Pt(1) Ru(4) C(1) . . . . 0.0000 no Ru(2) Pt(1) Ru(4) C(12) . . . . -135.3(3) no Ru(2) Pt(1) Ru(4) C(12) . . . 4 135.3(3) no Ru(2) Pt(1) Ru(4) C(13) . . . . 0.0000 no Ru(2) Pt(1) C(1) Ru(3) . . . . -90.3(3) no Ru(2) Pt(1) C(1) Ru(3) . . . 4 90.3(3) no Ru(2) Pt(1) C(1) Ru(4) . . . . 180.0000(1) no Ru(2) Pt(1) C(10) O(10) . . . . 180.0000(1) no Ru(2) Pt(1) C(11) O(11) . . . . 0.0000(2) no Ru(2) Ru(1) Ru(3) Ru(4) . . . . -104.00(3) no Ru(2) Ru(1) Ru(3) P(1) . . . . -27.5(3) no Ru(2) Ru(1) Ru(3) C(1) . . . . -51.8(3) no Ru(2) Ru(1) Ru(3) C(16) . . . . 179.1(3) no Ru(2) Ru(1) Ru(3) C(17) . . . . 86.8(3) no Ru(2) Ru(1) Ru(3) Ru(4) . . 4 . 104.00(3) no Ru(2) Ru(1) Ru(3) P(1) . . 4 4 27.5(3) no Ru(2) Ru(1) Ru(3) C(1) . . 4 . 51.8(3) no Ru(2) Ru(1) Ru(3) C(16) . . 4 4 -179.1(3) no Ru(2) Ru(1) Ru(3) C(17) . . 4 4 -86.8(3) no Ru(2) Ru(1) Ru(4) Ru(3) . . . . 58.08(2) no Ru(2) Ru(1) Ru(4) Ru(3) . . . 4 -58.08(2) no Ru(2) Ru(1) Ru(4) C(1) . . . . 0.0000(3) no Ru(2) Ru(1) Ru(4) C(12) . . . . 101.9(5) no Ru(2) Ru(1) Ru(4) C(12) . . . 4 -101.9(5) no Ru(2) Ru(1) Ru(4) C(13) . . . . 180.0000(1) no Ru(2) Ru(1) C(1) Ru(3) . . . . 90.4(2) no Ru(2) Ru(1) C(1) Ru(3) . . . 4 -90.4(2) no Ru(2) Ru(1) C(1) Ru(4) . . . . 180.0000(3) no Ru(2) Ru(1) C(14) O(14) . . . . 98.6(2) no Ru(2) Ru(1) C(14) O(14) . . 4 4 -98.6(2) no Ru(2) Ru(1) C(15) O(15) . . . . 180.0000 no Ru(2) Ru(3) Pt(1) Ru(3) . . . 4 -57.49(2) no Ru(2) Ru(3) Pt(1) Ru(4) . . . . -113.06(2) no Ru(2) Ru(3) Pt(1) C(1) . . . . -57.0(4) no Ru(2) Ru(3) Pt(1) C(10) . . . . 34.4(2) no Ru(2) Ru(3) Pt(1) C(11) . . . . 143.0(6) no Ru(2) Ru(3) Ru(1) Ru(3) . . . 4 52.49(3) no Ru(2) Ru(3) Ru(1) Ru(4) . . . . 104.00(3) no Ru(2) Ru(3) Ru(1) C(1) . . . . 51.8(3) no Ru(2) Ru(3) Ru(1) C(14) . . . . -142.9(3) no Ru(2) Ru(3) Ru(1) C(14) . . . 4 136.7(9) no Ru(2) Ru(3) Ru(1) C(15) . . . . -48.8(3) no Ru(2) Ru(3) Ru(4) Ru(3) . . . 4 -9.77(3) no Ru(2) Ru(3) Ru(4) C(1) . . . . -3.7(3) no Ru(2) Ru(3) Ru(4) C(12) . . . . 150.7(4) no Ru(2) Ru(3) Ru(4) C(12) . . . 4 74.8(9) no Ru(2) Ru(3) Ru(4) C(13) . . . . -115.8(4) no Ru(2) Ru(3) P(1) C(21) . . . . 7.2(4) no Ru(2) Ru(3) P(1) C(22) . . . . -117.5(4) no Ru(2) Ru(3) P(1) C(31) . . . . 125.2(3) no Ru(2) Ru(3) C(1) Ru(3) . . . 4 -98(3) no Ru(2) Ru(3) C(1) Ru(4) . . . . 174.7(5) no Ru(2) Ru(3) C(16) O(16) . . . . -49.0(1) no Ru(2) Ru(3) C(17) O(17) . . . . 106(9) no Ru(2) Ru(3) Pt(1) Ru(3) . 4 . . 57.49(2) no Ru(2) Ru(3) Pt(1) Ru(4) . 4 . . 113.06(2) no Ru(2) Ru(3) Pt(1) C(1) . 4 . . 57.0(4) no Ru(2) Ru(3) Pt(1) C(10) . 4 . . -34.4(2) no Ru(2) Ru(3) Pt(1) C(11) . 4 . . -143.0(6) no Ru(2) Ru(3) Ru(1) Ru(3) . 4 . . -52.49(3) no Ru(2) Ru(3) Ru(1) Ru(4) . 4 . . -104.00(3) no Ru(2) Ru(3) Ru(1) C(1) . 4 . . -51.8(3) no Ru(2) Ru(3) Ru(1) C(14) . 4 . . -136.7(9) no Ru(2) Ru(3) Ru(1) C(14) . 4 . 4 142.9(3) no Ru(2) Ru(3) Ru(1) C(15) . 4 . . 48.8(3) no Ru(2) Ru(3) Ru(4) Ru(3) . 4 . . 9.77(3) no Ru(2) Ru(3) Ru(4) C(1) . 4 . . 3.7(3) no Ru(2) Ru(3) Ru(4) C(12) . 4 . . -74.8(9) no Ru(2) Ru(3) Ru(4) C(12) . 4 . 4 -150.7(4) no Ru(2) Ru(3) Ru(4) C(13) . 4 . . 115.8(4) no Ru(2) Ru(3) C(1) Ru(3) . 4 . . 98(3) no Ru(2) Ru(3) C(1) Ru(4) . 4 . . -174.7(5) no Ru(2) Ru(3) C(16) O(16) . 4 4 4 49.0(1) no Ru(2) C(1) Pt(1) Ru(3) . . . . 90.3(3) no Ru(2) C(1) Pt(1) Ru(3) . . . 4 -90.3(3) no Ru(2) C(1) Pt(1) Ru(4) . . . . 180.0000(1) no Ru(2) C(1) Pt(1) C(10) . . . . 0.0000(1) no Ru(2) C(1) Pt(1) C(11) . . . . 180.0000(1) no Ru(2) C(1) Ru(1) Ru(3) . . . . -90.4(2) no Ru(2) C(1) Ru(1) Ru(3) . . . 4 90.4(2) no Ru(2) C(1) Ru(1) Ru(4) . . . . 180.0000(3) no Ru(2) C(1) Ru(1) C(14) . . . . -109.5(4) no Ru(2) C(1) Ru(1) C(14) . . . 4 109.5(4) no Ru(2) C(1) Ru(1) C(15) . . . . 0.0000(1) no Ru(2) C(1) Ru(3) Ru(4) . . . . -174.7(5) no Ru(2) C(1) Ru(3) P(1) . . . . -82.5(3) no Ru(2) C(1) Ru(3) C(16) . . . . 160.3(3) no Ru(2) C(1) Ru(3) C(17) . . . . 38.0(5) no Ru(2) C(1) Ru(3) Ru(4) . . 4 . 174.7(5) no Ru(2) C(1) Ru(3) P(1) . . 4 4 82.5(3) no Ru(2) C(1) Ru(3) C(16) . . 4 4 -160.3(3) no Ru(2) C(1) Ru(3) C(17) . . 4 4 -38.0(5) no Ru(2) C(1) Ru(4) Ru(3) . . . . 94.3(2) no Ru(2) C(1) Ru(4) Ru(3) . . . 4 -94.3(2) no Ru(2) C(1) Ru(4) C(12) . . . . 61.2(5) no Ru(2) C(1) Ru(4) C(12) . . . 4 -61.2(5) no Ru(2) C(1) Ru(4) C(13) . . . . 180.0000(4) no Ru(2) C(10) Pt(1) Ru(3) . . . . -43.31(1) no Ru(2) C(10) Pt(1) Ru(3) . . . 4 43.31(1) no Ru(2) C(10) Pt(1) Ru(4) . . . . 0.0000(1) no Ru(2) C(10) Pt(1) C(1) . . . . 0.0000(1) no Ru(2) C(10) Pt(1) C(11) . . . . 180.0000(1) no Ru(3) Pt(1) Ru(2) C(1) . . . . -52.13(1) no Ru(3) Pt(1) Ru(2) C(10) . . . . 127.87(1) no Ru(3) Pt(1) Ru(2) C(18) . . . . 67.0(4) no Ru(3) Pt(1) Ru(2) C(18) . . . 4 -171.3(4) no Ru(3) Pt(1) Ru(3) Ru(4) . . 4 . -55.58(2) no Ru(3) Pt(1) Ru(3) P(1) . . 4 4 177.66(5) no Ru(3) Pt(1) Ru(3) C(1) . . 4 . 0.4(4) no Ru(3) Pt(1) Ru(3) C(16) . . 4 4 -99.4(3) no Ru(3) Pt(1) Ru(3) C(17) . . 4 4 95.7(4) no Ru(3) Pt(1) Ru(4) C(1) . . . . 53.09(2) no Ru(3) Pt(1) Ru(4) C(12) . . . . -82.2(3) no Ru(3) Pt(1) Ru(4) C(12) . . . 4 -171.6(3) no Ru(3) Pt(1) Ru(4) C(13) . . . . 53.09(2) no Ru(3) Pt(1) C(1) Ru(4) . . . . -89.7(3) no Ru(3) Pt(1) C(10) O(10) . . . . 136.69(1) no Ru(3) Pt(1) C(11) O(11) . . . . -104.8(4) no Ru(3) Ru(1) Ru(2) C(1) . . . . 57.61(2) no Ru(3) Ru(1) Ru(2) C(10) . . . . 57.61(2) no Ru(3) Ru(1) Ru(2) C(18) . . . . -68.8(4) no Ru(3) Ru(1) Ru(2) C(18) . . . 4 -176.0(4) no Ru(3) Ru(1) Ru(3) Ru(4) . . 4 . 51.52(3) no Ru(3) Ru(1) Ru(3) P(1) . . 4 4 -25.0(4) no Ru(3) Ru(1) Ru(3) C(1) . . 4 . -0.7(3) no Ru(3) Ru(1) Ru(3) C(16) . . 4 4 128.4(3) no Ru(3) Ru(1) Ru(3) C(17) . . 4 4 -139.2(3) no Ru(3) Ru(1) Ru(4) C(1) . . . . -58.08(2) no Ru(3) Ru(1) Ru(4) C(12) . . . . 43.9(5) no Ru(3) Ru(1) Ru(4) C(12) . . . 4 -160.0(5) no Ru(3) Ru(1) Ru(4) C(13) . . . . 121.92(2) no Ru(3) Ru(1) C(1) Ru(4) . . . . 89.6(2) no Ru(3) Ru(1) C(14) O(14) . . . . 141.8(2) no Ru(3) Ru(1) C(14) O(14) . . 4 4 132.5(2) no Ru(3) Ru(1) C(15) O(15) . . . . -131.47(6) no Ru(3) Ru(2) Pt(1) Ru(4) . . . . 52.13(1) no Ru(3) Ru(2) Pt(1) C(1) . . . . 52.13(1) no Ru(3) Ru(2) Pt(1) C(10) . . . . -127.87(1) no Ru(3) Ru(2) Pt(1) C(11) . . . . -127.87(1) no Ru(3) Ru(2) Ru(1) Ru(4) . . . . -57.61(2) no Ru(3) Ru(2) Ru(1) C(1) . . . . -57.61(2) no Ru(3) Ru(2) Ru(1) C(14) . . . . 51.2(4) no Ru(3) Ru(2) Ru(1) C(14) . . . 4 -166.4(4) no Ru(3) Ru(2) Ru(1) C(15) . . . . 122.39(2) no Ru(3) Ru(2) Ru(3) Ru(4) . . 4 . -9.71(3) no Ru(3) Ru(2) Ru(3) P(1) . . 4 4 -125.56(6) no Ru(3) Ru(2) Ru(3) C(1) . . 4 . -6.0(3) no Ru(3) Ru(2) Ru(3) C(16) . . 4 4 52.3(9) no Ru(3) Ru(2) Ru(3) C(17) . . 4 4 144.0(2) no Ru(3) Ru(2) C(1) Ru(4) . . . . -94.2(2) no Ru(3) Ru(2) C(10) O(10) . . . . -134.19(4) no Ru(3) Ru(2) C(18) O(18) . . . . 135.3(3) no Ru(3) Ru(2) C(18) O(18) . . 4 4 152.9(3) no Ru(3) Ru(4) Pt(1) C(1) . . . . -53.09(2) no Ru(3) Ru(4) Pt(1) C(10) . . . . -53.09(2) no Ru(3) Ru(4) Pt(1) C(11) . . . . 126.91(2) no Ru(3) Ru(4) Ru(1) C(1) . . . . 58.08(2) no Ru(3) Ru(4) Ru(1) C(14) . . . . -72.4(3) no Ru(3) Ru(4) Ru(1) C(14) . . . 4 -171.4(3) no Ru(3) Ru(4) Ru(1) C(15) . . . . 58.08(2) no Ru(3) Ru(4) Ru(3) P(1) . . 4 4 120.10(6) no Ru(3) Ru(4) Ru(3) C(1) . . 4 . 6.1(3) no Ru(3) Ru(4) Ru(3) C(16) . . 4 4 -153.2(3) no Ru(3) Ru(4) Ru(3) C(17) . . 4 4 -73.9(6) no Ru(3) Ru(4) C(12) O(12) . . . . -171.0(2) no Ru(3) Ru(4) C(12) O(12) . . 4 4 85.7(2) no Ru(3) Ru(4) C(13) O(13) . . . . -132.2(1) no Ru(3) P(1) C(31) C(32) . . . . -92.5(7) no Ru(3) P(1) C(31) C(36) . . . . 81.0(8) no Ru(3) C(1) Pt(1) Ru(4) . . . . 89.7(3) no Ru(3) C(1) Pt(1) C(10) . . . . -90.3(3) no Ru(3) C(1) Pt(1) C(11) . . . . 89.7(3) no Ru(3) C(1) Ru(1) Ru(4) . . . . -89.6(2) no Ru(3) C(1) Ru(1) C(14) . . . . -19.0(5) no Ru(3) C(1) Ru(1) C(14) . . . 4 -160.1(4) no Ru(3) C(1) Ru(1) C(15) . . . . 90.4(2) no Ru(3) C(1) Ru(2) C(10) . . . . 94.2(2) no Ru(3) C(1) Ru(2) C(18) . . . . -4.6(6) no Ru(3) C(1) Ru(2) C(18) . . . 4 -167.0(4) no Ru(3) C(1) Ru(3) Ru(4) . . 4 . -87(3) no Ru(3) C(1) Ru(3) P(1) . . 4 4 -179(3) no Ru(3) C(1) Ru(3) C(16) . . 4 4 -62(3) no Ru(3) C(1) Ru(3) C(17) . . 4 4 60(3) no Ru(3) C(1) Ru(4) C(12) . . . . -33.0(6) no Ru(3) C(1) Ru(4) C(12) . . . 4 -155.5(5) no Ru(3) C(1) Ru(4) C(13) . . . . 85.7(2) no Ru(4) Pt(1) Ru(2) C(1) . . . . 0.0000(1) no Ru(4) Pt(1) Ru(2) C(10) . . . . 180.0000(1) no Ru(4) Pt(1) Ru(2) C(18) . . . . 119.2(4) no Ru(4) Pt(1) Ru(2) C(18) . . . 4 -119.2(4) no Ru(4) Pt(1) Ru(3) P(1) . . . . 126.76(6) no Ru(4) Pt(1) Ru(3) C(1) . . . . -56.0(4) no Ru(4) Pt(1) Ru(3) C(16) . . . . 43.8(3) no Ru(4) Pt(1) Ru(3) C(17) . . . . -151.3(4) no Ru(4) Pt(1) Ru(3) P(1) . . 4 4 -126.76(6) no Ru(4) Pt(1) Ru(3) C(1) . . 4 . 56.0(4) no Ru(4) Pt(1) Ru(3) C(16) . . 4 4 -43.8(3) no Ru(4) Pt(1) Ru(3) C(17) . . 4 4 151.3(4) no Ru(4) Pt(1) C(10) O(10) . . . . 180.0000(1) no Ru(4) Pt(1) C(11) O(11) . . . . 180.0000(1) no Ru(4) Ru(1) Ru(2) C(1) . . . . 0.0000(3) no Ru(4) Ru(1) Ru(2) C(10) . . . . 0.0000(2) no Ru(4) Ru(1) Ru(2) C(18) . . . . -126.4(4) no Ru(4) Ru(1) Ru(2) C(18) . . . 4 126.4(4) no Ru(4) Ru(1) Ru(3) P(1) . . . . 76.6(4) no Ru(4) Ru(1) Ru(3) C(1) . . . . 52.2(3) no Ru(4) Ru(1) Ru(3) C(16) . . . . -76.9(3) no Ru(4) Ru(1) Ru(3) C(17) . . . . -169.2(3) no Ru(4) Ru(1) Ru(3) P(1) . . 4 4 -76.6(4) no Ru(4) Ru(1) Ru(3) C(1) . . 4 . -52.2(3) no Ru(4) Ru(1) Ru(3) C(16) . . 4 4 76.9(3) no Ru(4) Ru(1) Ru(3) C(17) . . 4 4 169.2(3) no Ru(4) Ru(1) C(14) O(14) . . . . -161.8(2) no Ru(4) Ru(1) C(14) O(14) . . 4 4 161.8(2) no Ru(4) Ru(1) C(15) O(15) . . . . 180.0000(1) no Ru(4) Ru(3) Pt(1) C(1) . . . . 56.0(4) no Ru(4) Ru(3) Pt(1) C(10) . . . . 147.4(2) no Ru(4) Ru(3) Pt(1) C(11) . . . . -103.9(6) no Ru(4) Ru(3) Ru(1) C(1) . . . . -52.2(3) no Ru(4) Ru(3) Ru(1) C(14) . . . . 113.1(3) no Ru(4) Ru(3) Ru(1) C(14) . . . 4 32.7(9) no Ru(4) Ru(3) Ru(1) C(15) . . . . -152.9(3) no Ru(4) Ru(3) Ru(2) C(1) . . . . 3.7(3) no Ru(4) Ru(3) Ru(2) C(10) . . . . -88.3(2) no Ru(4) Ru(3) Ru(2) C(18) . . . . -179.7(3) no Ru(4) Ru(3) Ru(2) C(18) . . . 4 81(2) no Ru(4) Ru(3) P(1) C(21) . . . . 104.4(4) no Ru(4) Ru(3) P(1) C(22) . . . . -20.3(4) no Ru(4) Ru(3) P(1) C(31) . . . . -137.5(3) no Ru(4) Ru(3) C(16) O(16) . . . . -111.8(1) no Ru(4) Ru(3) C(17) O(17) . . . . 22(10) no Ru(4) Ru(3) Pt(1) C(1) . 4 . . -56.0(4) no Ru(4) Ru(3) Pt(1) C(10) . 4 . . -147.4(2) no Ru(4) Ru(3) Pt(1) C(11) . 4 . . 103.9(6) no Ru(4) Ru(3) Ru(1) C(1) . 4 . . 52.2(3) no Ru(4) Ru(3) Ru(1) C(14) . 4 . . -32.7(9) no Ru(4) Ru(3) Ru(1) C(14) . 4 . 4 -113.1(3) no Ru(4) Ru(3) Ru(1) C(15) . 4 . . 152.9(3) no Ru(4) Ru(3) Ru(2) C(1) . 4 . . -3.7(3) no Ru(4) Ru(3) Ru(2) C(10) . 4 . . 88.3(2) no Ru(4) Ru(3) Ru(2) C(18) . 4 . . -81(2) no Ru(4) Ru(3) Ru(2) C(18) . 4 . 4 179.7(3) no Ru(4) Ru(3) C(16) O(16) . 4 4 4 111.8(1) no Ru(4) C(1) Pt(1) C(10) . . . . 180.0000(1) no Ru(4) C(1) Pt(1) C(11) . . . . 0.0000(1) no Ru(4) C(1) Ru(1) C(14) . . . . 70.5(4) no Ru(4) C(1) Ru(1) C(14) . . . 4 -70.5(4) no Ru(4) C(1) Ru(1) C(15) . . . . 180.0000(1) no Ru(4) C(1) Ru(2) C(10) . . . . 0.0000(1) no Ru(4) C(1) Ru(2) C(18) . . . . -98.8(5) no Ru(4) C(1) Ru(2) C(18) . . . 4 98.8(5) no Ru(4) C(1) Ru(3) P(1) . . . . 92.2(3) no Ru(4) C(1) Ru(3) C(16) . . . . -25.0(5) no Ru(4) C(1) Ru(3) C(17) . . . . -147.3(3) no Ru(4) C(1) Ru(3) P(1) . . 4 4 -92.2(3) no Ru(4) C(1) Ru(3) C(16) . . 4 4 25.0(5) no Ru(4) C(1) Ru(3) C(17) . . 4 4 147.3(3) no P(1) Ru(3) Pt(1) C(1) . . . . -177.2(4) no P(1) Ru(3) Pt(1) C(10) . . . . -85.8(2) no P(1) Ru(3) Pt(1) C(11) . . . . 22.8(6) no P(1) Ru(3) Ru(1) C(1) . . . . 24.4(5) no P(1) Ru(3) Ru(1) C(14) . . . . -170.3(5) no P(1) Ru(3) Ru(1) C(14) . . . 4 109(1) no P(1) Ru(3) Ru(1) C(15) . . . . -76.3(5) no P(1) Ru(3) Ru(2) C(1) . . . . 119.5(4) no P(1) Ru(3) Ru(2) C(10) . . . . 27.6(2) no P(1) Ru(3) Ru(2) C(18) . . . . -63.9(3) no P(1) Ru(3) Ru(2) C(18) . . . 4 -163(2) no P(1) Ru(3) Ru(4) C(1) . . . . -114.0(3) no P(1) Ru(3) Ru(4) C(12) . . . . 40.3(4) no P(1) Ru(3) Ru(4) C(12) . . . 4 -35.6(9) no P(1) Ru(3) Ru(4) C(13) . . . . 133.9(4) no P(1) Ru(3) C(16) O(16) . . . . 133.0(1) no P(1) Ru(3) C(17) O(17) . . . . -145(9) no P(1) C(31) C(32) C(33) . . . . 174.5(7) no P(1) C(31) C(36) C(35) . . . . -174.1(8) no O(10) C(10) Pt(1) C(1) . . . . 180.0000(1) no O(10) C(10) Pt(1) C(11) . . . . 0.0000(1) no O(10) C(10) Ru(2) C(1) . . . . 180.0000(2) no O(10) C(10) Ru(2) C(18) . . . . -47.6(3) no O(10) C(10) Ru(2) C(18) . . . 4 47.6(3) no O(11) C(11) Pt(1) C(1) . . . . 180.0000(1) no O(11) C(11) Pt(1) C(10) . . . . 0.0000(3) no O(12) C(12) Ru(4) C(1) . . . . -147.9(2) no O(12) C(12) Ru(4) C(12) . . . 4 -10.0(2) no O(12) C(12) Ru(4) C(13) . . . . 84.1(2) no O(13) C(13) Ru(4) C(1) . . . . 180.0000 no O(13) C(13) Ru(4) C(12) . . . . -44.2(3) no O(13) C(13) Ru(4) C(12) . . . 4 44.2(3) no O(14) C(14) Ru(1) C(1) . . . . 155.8(2) no O(14) C(14) Ru(1) C(14) . . . 4 -53.3(2) no O(14) C(14) Ru(1) C(15) . . . . 42.1(2) no O(15) C(15) Ru(1) C(1) . . . . 180.0000(2) no O(15) C(15) Ru(1) C(14) . . . . -47.1(3) no O(15) C(15) Ru(1) C(14) . . . 4 47.1(3) no O(16) C(16) Ru(3) C(1) . . . . -94.5(1) no O(16) C(16) Ru(3) C(17) . . . . 42.2(1) no O(17) C(17) Ru(3) C(1) . . . . 80(9) no O(17) C(17) Ru(3) C(16) . . . . -55(9) no O(18) C(18) Ru(2) C(1) . . . . 138.5(3) no O(18) C(18) Ru(2) C(10) . . . . 37.5(3) no O(18) C(18) Ru(2) C(18) . . . 4 -54.6(3) no C(1) Pt(1) Ru(2) C(10) . . . . 180.0000 no C(1) Pt(1) Ru(2) C(18) . . . . 119.2(4) no C(1) Pt(1) Ru(2) C(18) . . . 4 -119.2(4) no C(1) Pt(1) Ru(3) C(16) . . . . 99.8(5) no C(1) Pt(1) Ru(3) C(17) . . . . -95.2(5) no C(1) Pt(1) Ru(3) C(16) . . 4 4 -99.8(5) no C(1) Pt(1) Ru(3) C(17) . . 4 4 95.2(5) no C(1) Pt(1) Ru(4) C(12) . . . . -135.3(3) no C(1) Pt(1) Ru(4) C(12) . . . 4 135.3(3) no C(1) Pt(1) Ru(4) C(13) . . . . 0.0000(1) no C(1) Ru(1) Ru(2) C(10) . . . . 0.0000(1) no C(1) Ru(1) Ru(2) C(18) . . . . -126.4(4) no C(1) Ru(1) Ru(2) C(18) . . . 4 126.4(4) no C(1) Ru(1) Ru(3) C(16) . . . . -129.1(4) no C(1) Ru(1) Ru(3) C(17) . . . . 138.6(4) no C(1) Ru(1) Ru(3) C(16) . . 4 4 129.1(4) no C(1) Ru(1) Ru(3) C(17) . . 4 4 -138.6(4) no C(1) Ru(1) Ru(4) C(12) . . . . 101.9(5) no C(1) Ru(1) Ru(4) C(12) . . . 4 -101.9(5) no C(1) Ru(1) Ru(4) C(13) . . . . 180.0000 no C(1) Ru(2) Pt(1) C(10) . . . . 180.0000 no C(1) Ru(2) Pt(1) C(11) . . . . 180.0000 no C(1) Ru(2) Ru(1) C(14) . . . . 108.8(4) no C(1) Ru(2) Ru(1) C(14) . . . 4 -108.8(4) no C(1) Ru(2) Ru(1) C(15) . . . . 180.0000(1) no C(1) Ru(2) Ru(3) C(16) . . . . -58.4(9) no C(1) Ru(2) Ru(3) C(17) . . . . -150.0(4) no C(1) Ru(2) Ru(3) C(16) . . 4 4 58.4(9) no C(1) Ru(2) Ru(3) C(17) . . 4 4 150.0(4) no C(1) Ru(3) Pt(1) C(10) . . . . 91.4(4) no C(1) Ru(3) Pt(1) C(11) . . . . -159.9(7) no C(1) Ru(3) Ru(1) C(14) . . . . 165.3(4) no C(1) Ru(3) Ru(1) C(14) . . . 4 85(1) no C(1) Ru(3) Ru(1) C(15) . . . . -100.7(4) no C(1) Ru(3) Ru(2) C(10) . . . . -92.0(4) no C(1) Ru(3) Ru(2) C(18) . . . . 176.6(5) no C(1) Ru(3) Ru(2) C(18) . . . 4 77(2) no C(1) Ru(3) Ru(4) C(12) . . . . 154.3(5) no C(1) Ru(3) Ru(4) C(12) . . . 4 78(1) no C(1) Ru(3) Ru(4) C(13) . . . . -112.1(5) no C(1) Ru(3) P(1) C(21) . . . . 53.9(5) no C(1) Ru(3) P(1) C(22) . . . . -70.8(5) no C(1) Ru(3) P(1) C(31) . . . . 172.0(4) no C(1) Ru(3) Pt(1) C(10) . 4 . . -91.4(4) no C(1) Ru(3) Pt(1) C(11) . 4 . . 159.9(7) no C(1) Ru(3) Ru(1) C(14) . 4 . . -85(1) no C(1) Ru(3) Ru(1) C(14) . 4 . 4 -165.3(4) no C(1) Ru(3) Ru(1) C(15) . 4 . . 100.7(4) no C(1) Ru(3) Ru(2) C(10) . 4 . . 92.0(4) no C(1) Ru(3) Ru(2) C(18) . 4 . . -77(2) no C(1) Ru(3) Ru(2) C(18) . 4 . 4 -176.6(5) no C(1) Ru(3) Ru(4) C(12) . 4 . . -78(1) no C(1) Ru(3) Ru(4) C(12) . 4 . 4 -154.3(5) no C(1) Ru(3) Ru(4) C(13) . 4 . . 112.1(5) no C(1) Ru(4) Pt(1) C(10) . . . . 0.0000(1) no C(1) Ru(4) Pt(1) C(11) . . . . 180.0000(1) no C(1) Ru(4) Ru(1) C(14) . . . . -130.5(3) no C(1) Ru(4) Ru(1) C(14) . . . 4 130.5(3) no C(1) Ru(4) Ru(1) C(15) . . . . 0.0000(2) no C(1) Ru(4) Ru(3) C(16) . . . . 159.3(4) no C(1) Ru(4) Ru(3) C(17) . . . . 80.0(7) no C(1) Ru(4) Ru(3) C(16) . . 4 4 -159.3(4) no C(1) Ru(4) Ru(3) C(17) . . 4 4 -80.0(7) no C(10) Pt(1) Ru(2) C(18) . . . . -60.8(4) no C(10) Pt(1) Ru(2) C(18) . . . 4 60.8(4) no C(10) Pt(1) Ru(3) C(16) . . . . -168.8(4) no C(10) Pt(1) Ru(3) C(17) . . . . -3.8(4) no C(10) Pt(1) Ru(3) C(16) . . 4 4 168.8(4) no C(10) Pt(1) Ru(3) C(17) . . 4 4 3.8(4) no C(10) Pt(1) Ru(4) C(12) . . . . -135.3(3) no C(10) Pt(1) Ru(4) C(12) . . . 4 135.3(3) no C(10) Pt(1) Ru(4) C(13) . . . . 0.0000(1) no C(10) Ru(2) Pt(1) C(11) . . . . 0.0000 no C(10) Ru(2) Ru(1) C(14) . . . . 108.8(4) no C(10) Ru(2) Ru(1) C(14) . . . 4 -108.8(4) no C(10) Ru(2) Ru(1) C(15) . . . . 180.0000 no C(10) Ru(2) Ru(3) C(16) . . . . -150.3(9) no C(10) Ru(2) Ru(3) C(17) . . . . 118.0(3) no C(10) Ru(2) Ru(3) C(16) . . 4 4 150.3(9) no C(10) Ru(2) Ru(3) C(17) . . 4 4 -118.0(3) no C(11) Pt(1) Ru(2) C(18) . . . . -60.8(4) no C(11) Pt(1) Ru(2) C(18) . . . 4 60.8(4) no C(11) Pt(1) Ru(3) C(16) . . . . -60.2(6) no C(11) Pt(1) Ru(3) C(17) . . . . 104.8(7) no C(11) Pt(1) Ru(3) C(16) . . 4 4 60.2(6) no C(11) Pt(1) Ru(3) C(17) . . 4 4 -104.8(7) no C(11) Pt(1) Ru(4) C(12) . . . . 44.7(3) no C(11) Pt(1) Ru(4) C(12) . . . 4 -44.7(3) no C(11) Pt(1) Ru(4) C(13) . . . . 180.0000(2) no C(12) Ru(4) Ru(1) C(14) . . . . -28.5(5) no C(12) Ru(4) Ru(1) C(14) . . . 4 -127.6(6) no C(12) Ru(4) Ru(1) C(15) . . . . 101.9(5) no C(12) Ru(4) Ru(3) C(16) . . . . -46.3(5) no C(12) Ru(4) Ru(3) C(17) . . . . -125.7(7) no C(12) Ru(4) Ru(3) C(16) . . 4 4 122(1) no C(12) Ru(4) Ru(3) C(17) . . 4 4 -158(1) no C(13) Ru(4) Ru(1) C(14) . . . . 49.5(3) no C(13) Ru(4) Ru(1) C(14) . . . 4 -49.5(3) no C(13) Ru(4) Ru(1) C(15) . . . . 180.0000(1) no C(13) Ru(4) Ru(3) C(16) . . . . 47.2(5) no C(13) Ru(4) Ru(3) C(17) . . . . -32.2(7) no C(13) Ru(4) Ru(3) C(16) . . 4 4 -47.2(5) no C(13) Ru(4) Ru(3) C(17) . . 4 4 32.2(7) no C(14) Ru(1) Ru(2) C(18) . . . . -17.6(5) no C(14) Ru(1) Ru(2) C(18) . . . 4 -124.8(5) no C(14) Ru(1) Ru(3) C(16) . . . . 36.2(4) no C(14) Ru(1) Ru(3) C(17) . . . . -56.1(4) no C(14) Ru(1) Ru(3) C(16) . . 4 4 44(1) no C(14) Ru(1) Ru(3) C(17) . . 4 4 137(1) no C(15) Ru(1) Ru(2) C(18) . . . . 53.6(4) no C(15) Ru(1) Ru(2) C(18) . . . 4 -53.6(4) no C(15) Ru(1) Ru(3) C(16) . . . . 130.2(4) no C(15) Ru(1) Ru(3) C(17) . . . . 37.9(4) no C(15) Ru(1) Ru(3) C(16) . . 4 4 -130.2(4) no C(15) Ru(1) Ru(3) C(17) . . 4 4 -37.9(4) no C(16) Ru(3) Ru(2) C(18) . . . . 118.2(9) no C(16) Ru(3) Ru(2) C(18) . . . 4 19(2) no C(16) Ru(3) P(1) C(21) . . . . -173.5(5) no C(16) Ru(3) P(1) C(22) . . . . 61.8(5) no C(16) Ru(3) P(1) C(31) . . . . -55.5(4) no C(17) Ru(3) Ru(2) C(18) . . . . 26.5(4) no C(17) Ru(3) Ru(2) C(18) . . . 4 -73(2) no C(17) Ru(3) P(1) C(21) . . . . -81.7(5) no C(17) Ru(3) P(1) C(22) . . . . 153.6(5) no C(17) Ru(3) P(1) C(31) . . . . 36.3(4) no C(21) P(1) C(31) C(32) . . . . 34.2(8) no C(21) P(1) C(31) C(36) . . . . -152.3(8) no C(22) P(1) C(31) C(32) . . . . 141.8(8) no C(22) P(1) C(31) C(36) . . . . -44.7(8) no C(31) C(32) C(33) C(34) . . . . -1(2) no C(31) C(36) C(35) C(34) . . . . 0(2) no C(32) C(31) C(36) C(35) . . . . 0(2) no C(32) C(33) C(34) C(35) . . . . 0(2) no C(33) C(32) C(31) C(36) . . . . 1(1) no C(33) C(34) C(35) C(36) . . . . 0(2) no #------------------------------------------------------------------------------ data_2 #------------------------------------------------------------------------------ _audit_creation_date '1999-11-29' _audit_creation_method 'by teXsan v1.8' _audit_update_record ; ? ; #------------------------------------------------------------------------------ _publ_requested_journal ' ENTER JOURNAL NAME HERE' _publ_requested_category ' CHOOSE FI FM FO CI CM CO or AD' _publ_contact_author_name ' ENTER CONTACT NAME HERE' _publ_contact_author_address ; ENTER ADDRESS ; _publ_contact_letter ; ENTER TEXT OF LETTER ; _publ_requested_coeditor_name ? _publ_contact_author_phone ' ENTER PHONE NUMBER ' _publ_contact_author_fax ' ENTER FAX NUMBER ' _publ_contact_author_email ' ENTER EMAIL ADDRESS ' loop_ _publ_author_name _publ_author_footnote _publ_author_address ' FIRST AUTHORS NAME ' ; FIRST AUTHORS FOOTNOTES ; ; FIRST AUTHORS ADDRESS ; _publ_section_title ; ENTER SECTION TITLE ; _publ_section_title_footnote ' ENTER ANY FOOTNOTES TO TITLE ' _publ_section_abstract ; ENTER ABSTRACT ; _publ_section_exptl_refinement ; ENTER EXPERIMENTAL SECTION ; _publ_section_comment ; ENTER TEXT ; _publ_section_references ; ENTER OTHER REFERENCES Molecular Structure Corporation. (1992-1997). teXsan. Single Crystal Structure Analysis Software. Version 1.7. MSC, 3200 Research Forest Drive, The Woodlands, TX 77381, USA. Walker, N. & Stuart. D. (1983). Acta Cryst. A39, 158-166. Zachariasen, W. H. (1967). Acta Cryst. 23, 558-564. Altomare, A., Cascarano, M., Giacovazzo, C., Guagliardi, A. (1993). J. Appl. Cryst., 26, 343. ; _publ_section_acknowledgements ; ENTER ACKNOWLEDGEMENTS ; _publ_section_table_legends ; ENTER TABLE LEGENDS ; _publ_section_figure_captions ; ENTER FIGURE CAPTIONS ; #------------------------------------------------------------------------------ _computing_data_collection 'MSC/AFC Diffractometer Control' _computing_cell_refinement 'MSC/AFC Diffractometer Control' _computing_data_reduction 'teXsan (MSC, 1992-1997)' _computing_structure_solution ; SIR92 (Altomare, et. al. 1993) ; _computing_structure_refinement 'teXsan (MSC, 1992-1997)' _computing_publication_material 'teXsan (MSC, 1992-1997)' #------------------------------------------------------------------------------ _cell_length_a 44.897(5) _cell_length_b 14.590(2) _cell_length_c 10.208(2) _cell_angle_alpha 89 _cell_angle_beta 89 _cell_angle_gamma 90 _cell_volume 6687(2) _cell_formula_units_Z 8 _cell_measurement_temperature 296.2 _cell_measurement_reflns_used 15 _cell_measurement_theta_min 2.2 _cell_measurement_theta_max 3.5 #------------------------------------------------------------------------------ _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P n a 21 ' _symmetry_Int_Tables_number 33 _symmetry_space_group_name_Hall ? loop_ _symmetry_equiv_pos_as_xyz ' +x, +y, +z' ' -x, -y,1/2+z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y, +z' #------------------------------------------------------------------------------ _publ_section_exptl_prep ; ENTER EXPERIMENTAL SECTION ; _exptl_crystal_description '----------' _exptl_crystal_colour '--------------------' _exptl_crystal_size_max 0.00 _exptl_crystal_size_mid 0.00 _exptl_crystal_size_min 0.00 _exptl_crystal_density_diffrn 2.524 _exptl_crystal_density_meas 'not measured' _chemical_formula_weight 1270.76 _chemical_formula_analytical ? _chemical_formula_sum 'C24 H11 O15 P Pt Ru5 ' _chemical_formula_moiety '?' _chemical_formula_structural ? _chemical_compound_source ? _exptl_crystal_F_000 4704.00 _exptl_absorpt_coefficient_mu 6.466 _exptl_absorpt_correction_type ; \DF (DIFABS; Walker & Stuart, 1983) ; _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_correction_T_min 0.347 _exptl_special_details ; The scan width was (1.60+0.35tan\q)\% with an \w scan speed of 4\% per minute (up to 2 scans to achieve I/\s(I) > 10). Stationary background counts were recorded at each end of the scan, and the scan time:background time ratio was 2:1. ; #------------------------------------------------------------------------------ _diffrn_special_details ; ? ; _diffrn_ambient_temperature 296.2 _diffrn_radiation_wavelength 0.7107 _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_source 'X-ray tube' _diffrn_radiation_monochromator graphite _diffrn_radiation_detector 'scintillation counter' _diffrn_measurement_device_type 'Rigaku AFC6S' _diffrn_measurement_method \w-2\q _diffrn_standards_number 3 _diffrn_standards_interval_count 150 _diffrn_standards_decay_% 18.31 loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l -4 0 -1 0 1 1 -4 -1 0 _diffrn_reflns_number 4662 _reflns_number_total 4662 _reflns_number_gt 3203 _reflns_threshold_expression I>3.00\s(I) _diffrn_reflns_av_R_equivalents 0.00000 _diffrn_reflns_av_sigmaI/netI 0.050 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 47 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min -10 _diffrn_reflns_limit_l_max 0 _diffrn_reflns_theta_min 0.46 _diffrn_reflns_theta_max 22.00 _diffrn_reflns_reduction_process 'Lp corrections applied' _diffrn_orient_matrix_UB_11 -0.01670 _diffrn_orient_matrix_UB_12 0.04551 _diffrn_orient_matrix_UB_13 -0.00512 _diffrn_orient_matrix_UB_21 -0.01483 _diffrn_orient_matrix_UB_22 -0.05110 _diffrn_orient_matrix_UB_23 0.00598 _diffrn_orient_matrix_UB_31 0.00002 _diffrn_orient_matrix_UB_32 0.00543 _diffrn_orient_matrix_UB_33 0.09750 #------------------------------------------------------------------------------ loop_ _atom_type_symbol _atom_type_oxidation_number _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Pt 0 8 -2.352 8.388 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; Ru 0 40 -1.420 0.836 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; P 0 8 0.090 0.095 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; O 0 120 0.008 0.006 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; C 0 192 0.002 0.002 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; H 0 88 0.000 0.000 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; #------------------------------------------------------------------------------ loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_occupancy _atom_site_refinement_flags _atom_site_adp_type _atom_site_calc_flag _atom_site_calc_attached_atom Pt(1) -0.91503(2) -0.18354(9) -1.62(1) 0.0546(3) 1.000 . Uani d ? Pt(2) -0.81984(2) -0.63724(8) -1.02(1) 0.0573(4) 1.000 . Uani d ? Ru(1) -0.99272(5) -0.3338(2) -1.62(1) 0.0636(8) 1.000 . Uani d ? Ru(2) -0.95146(6) -0.2889(2) -1.42(1) 0.0574(8) 1.000 . Uani d ? Ru(3) -0.92746(5) -0.3678(2) -1.66(1) 0.0548(8) 1.000 . Uani d ? Ru(4) -0.96183(6) -0.2349(2) -1.81(1) 0.0581(8) 1.000 . Uani d ? Ru(5) -0.97677(5) -0.1427(2) -1.57(1) 0.0548(7) 1.000 . Uani d ? Ru(6) -0.77310(6) -0.4273(2) -1.20(1) 0.0637(8) 1.000 . Uani d ? Ru(7) -0.80809(6) -0.4419(2) -0.97(1) 0.0580(8) 1.000 . Uani d ? Ru(8) -0.83353(7) -0.4958(2) -1.22(1) 0.0710(9) 1.000 . Uani d ? Ru(9) -0.78314(7) -0.6105(2) -1.28(1) 0.0714(9) 1.000 . Uani d ? Ru(10) -0.76138(5) -0.5798(2) -1.01(1) 0.0588(8) 1.000 . Uani d ? P(1) -0.8782(2) -0.0783(6) -1.61(1) 0.065(3) 1.000 . Uani d ? P(2) -0.8540(2) -0.7371(6) -0.94(1) 0.071(3) 1.000 . Uani d ? O(11) -0.9809(8) -0.537(2) -1.63(1) 0.15(1) 1.000 . Uiso d ? O(12) -1.0375(8) -0.371(3) -1.40(1) 0.14(1) 1.000 . Uiso d ? O(13) -1.043(1) -0.320(3) -1.83(1) 0.20(1) 1.000 . Uiso d ? O(21) -0.9436(6) -0.475(2) -1.29(1) 0.118(9) 1.000 . Uiso d ? O(22) -0.9964(7) -0.229(2) -1.21(1) 0.12(1) 1.000 . Uiso d ? O(23) -0.8987(7) -0.206(2) -1.28(1) 0.12(1) 1.000 . Uiso d ? O(31) -0.9119(6) -0.475(2) -1.90(1) 0.105(9) 1.000 . Uiso d ? O(32) -0.8990(5) -0.522(2) -1.50(1) 0.079(7) 1.000 . Uiso d ? O(33) -0.8631(5) -0.301(2) -1.69(1) 0.073(6) 1.000 . Uiso d ? O(41) -1.0110(6) -0.132(2) -1.95(1) 0.117(9) 1.000 . Uiso d ? O(42) -0.9645(7) -0.382(2) -2.03(1) 0.13(1) 1.000 . Uiso d ? O(43) -0.9141(8) -0.128(3) -1.96(1) 0.16(1) 1.000 . Uiso d ? O(51) -1.0408(6) -0.134(2) -1.47(1) 0.100(8) 1.000 . Uiso d ? O(52) -0.9879(6) 0.022(2) -1.74(1) 0.105(9) 1.000 . Uiso d ? O(53) -0.9469(5) -0.022(2) -1.36(1) 0.087(7) 1.000 . Uiso d ? O(61) -0.7500(6) -0.417(2) -1.48(1) 0.102(8) 1.000 . Uiso d ? O(62) -0.7875(8) -0.221(3) -1.19(1) 0.14(1) 1.000 . Uiso d ? O(63) -0.7099(6) -0.409(2) -1.10(1) 0.120(9) 1.000 . Uiso d ? O(71) -0.8417(7) -0.258(2) -0.98(1) 0.14(1) 1.000 . Uiso d ? O(72) -0.7670(7) -0.360(2) -0.78(1) 0.13(1) 1.000 . Uiso d ? O(73) -0.8516(6) -0.518(2) -0.77(1) 0.096(8) 1.000 . Uiso d ? O(81) -0.8330(9) -0.402(3) -1.47(1) 0.17(1) 1.000 . Uiso d ? O(82) -0.8860(7) -0.375(2) -1.14(1) 0.14(1) 1.000 . Uiso d ? O(83) -0.8775(8) -0.650(3) -1.26(1) 0.17(1) 1.000 . Uiso d ? O(91) -0.7947(8) -0.592(3) -1.57(1) 0.17(1) 1.000 . Uiso d ? O(92) -0.7204(7) -0.651(2) -1.36(1) 0.119(9) 1.000 . Uiso d ? O(93) -0.8043(7) -0.819(3) -1.28(1) 0.14(1) 1.000 . Uiso d ? O(101) -0.7297(8) -0.530(3) -0.77(1) 0.15(1) 1.000 . Uiso d ? O(102) -0.7114(7) -0.709(2) -1.06(1) 0.116(9) 1.000 . Uiso d ? O(103) -0.7805(5) -0.735(2) -0.84(1) 0.085(7) 1.000 . Uiso d ? C(1) -0.9538(5) -0.257(2) -1.61(1) 0.034(6) 1.000 . Uiso d ? C(2) -0.7968(6) -0.532(2) -1.11(1) 0.061(8) 1.000 . Uiso d ? C(11) -0.9869(9) -0.460(3) -1.66(1) 0.10(1) 1.000 . Uiso d ? C(12) -1.017(1) -0.360(4) -1.48(1) 0.14(1) 1.000 . Uiso d ? C(13) -1.0262(9) -0.322(3) -1.74(1) 0.10(1) 1.000 . Uiso d ? C(21) -0.9448(7) -0.402(2) -1.34(1) 0.074(9) 1.000 . Uiso d ? C(22) -0.9786(9) -0.252(3) -1.29(1) 0.10(1) 1.000 . Uiso d ? C(23) -0.9200(9) -0.236(3) -1.33(1) 0.10(1) 1.000 . Uiso d ? C(31) -0.917(1) -0.435(3) -1.80(1) 0.12(1) 1.000 . Uiso d ? C(32) -0.9109(9) -0.464(3) -1.56(1) 0.11(1) 1.000 . Uiso d ? C(33) -0.8888(6) -0.290(2) -1.67(1) 0.054(8) 1.000 . Uiso d ? C(41) -0.9926(9) -0.174(3) -1.88(1) 0.10(1) 1.000 . Uiso d ? C(42) -0.961(1) -0.326(3) -1.94(1) 0.12(1) 1.000 . Uiso d ? C(43) -0.935(1) -0.163(4) -1.88(1) 0.15(1) 1.000 . Uiso d ? C(51) -1.0164(7) -0.144(2) -1.52(1) 0.074(9) 1.000 . Uiso d ? C(52) -0.9826(9) -0.044(3) -1.67(1) 0.10(1) 1.000 . Uiso d ? C(53) -0.9593(6) -0.069(2) -1.44(1) 0.060(8) 1.000 . Uiso d ? C(61) -0.7626(8) -0.418(3) -1.38(1) 0.09(1) 1.000 . Uiso d ? C(62) -0.780(1) -0.298(3) -1.20(1) 0.11(1) 1.000 . Uiso d ? C(63) -0.7371(9) -0.419(3) -1.14(1) 0.10(1) 1.000 . Uiso d ? C(71) -0.8280(8) -0.332(3) -0.98(1) 0.09(1) 1.000 . Uiso d ? C(72) -0.7837(8) -0.399(3) -0.83(1) 0.075(9) 1.000 . Uiso d ? C(73) -0.8335(8) -0.492(3) -0.85(1) 0.076(9) 1.000 . Uiso d ? C(81) -0.832(1) -0.435(4) -1.37(1) 0.12(1) 1.000 . Uiso d ? C(82) -0.8673(9) -0.427(3) -1.15(1) 0.10(1) 1.000 . Uiso d ? C(83) -0.860(1) -0.595(4) -1.24(1) 0.12(1) 1.000 . Uiso d ? C(91) -0.810(2) -0.598(7) -1.47(2) 0.255(6) 1.000 . Uiso d ? C(92) -0.7446(8) -0.638(2) -1.32(1) 0.076(9) 1.000 . Uiso d ? C(93) -0.798(1) -0.737(4) -1.27(1) 0.14(1) 1.000 . Uiso d ? C(101) -0.7421(9) -0.544(3) -0.87(1) 0.10(1) 1.000 . Uiso d ? C(102) -0.7313(7) -0.662(2) -1.05(1) 0.076(9) 1.000 . Uiso d ? C(103) -0.7830(8) -0.674(3) -0.92(1) 0.09(1) 1.000 . Uiso d ? C(111) -0.8556(8) -0.069(3) -1.76(1) 0.09(1) 1.000 . Uiso d ? C(112) -0.8524(7) -0.096(2) -1.48(1) 0.074(9) 1.000 . Uiso d ? C(113) -0.8940(8) 0.037(2) -1.57(1) 0.08(1) 1.000 . Uiso d ? C(114) -0.9151(8) 0.070(3) -1.67(1) 0.10(1) 1.000 . Uiso d ? C(115) -0.929(1) 0.158(3) -1.65(1) 0.12(1) 1.000 . Uiso d ? C(116) -0.917(1) 0.204(3) -1.53(1) 0.12(1) 1.000 . Uiso d ? C(117) -0.895(1) 0.178(4) -1.45(1) 0.15(1) 1.000 . Uiso d ? C(118) -0.883(1) 0.092(3) -1.48(1) 0.11(1) 1.000 . Uiso d ? C(121) -0.8915(8) -0.697(3) -0.95(1) 0.09(1) 1.000 . Uiso d ? C(122) -0.8512(9) -0.767(3) -0.77(1) 0.10(1) 1.000 . Uiso d ? C(123) -0.8559(7) -0.850(2) -1.02(1) 0.068(8) 1.000 . Uiso d ? C(124) -0.8311(8) -0.904(3) -1.02(1) 0.09(1) 1.000 . Uiso d ? C(125) -0.827(1) -0.990(3) -1.07(1) 0.13(1) 1.000 . Uiso d ? C(126) -0.851(1) -1.019(3) -1.12(1) 0.11(1) 1.000 . Uiso d ? C(127) -0.878(1) -0.973(3) -1.11(1) 0.12(1) 1.000 . Uiso d ? C(128) -0.8803(8) -0.887(3) -1.08(1) 0.08(1) 1.000 . Uiso d ? H(1) -0.8441 -0.1241 -1.7804 0.108 1.000 . Uiso c ? H(2) -0.8677 -0.0601 -1.8436 0.108 1.000 . Uiso c ? H(3) -0.8420 -0.0187 -1.7610 0.108 1.000 . Uiso c ? H(4) -0.8630 -0.0948 -1.4123 0.092 1.000 . Uiso c ? H(5) -0.8428 -0.1525 -1.5042 0.092 1.000 . Uiso c ? H(6) -0.8382 -0.0472 -1.4936 0.092 1.000 . Uiso c ? H(7) -0.9197 0.0354 -1.7586 0.112 1.000 . Uiso c ? H(8) -0.9455 0.1860 -1.7106 0.156 1.000 . Uiso c ? H(9) -0.9236 0.2616 -1.5089 0.136 1.000 . Uiso c ? H(10) -0.8866 0.2088 -1.3874 0.220 1.000 . Uiso c ? H(11) -0.8664 0.0701 -1.4393 0.128 1.000 . Uiso c ? H(12) -0.8936 -0.6388 -0.9279 0.107 1.000 . Uiso c ? H(13) -0.8980 -0.6954 -1.0550 0.107 1.000 . Uiso c ? H(14) -0.9047 -0.7396 -0.9200 0.107 1.000 . Uiso c ? H(15) -0.8654 -0.8124 -0.7583 0.123 1.000 . Uiso c ? H(16) -0.8317 -0.7879 -0.7601 0.123 1.000 . Uiso c ? H(17) -0.8552 -0.7129 -0.7282 0.123 1.000 . Uiso c ? H(18) -0.8139 -0.8810 -0.9860 0.116 1.000 . Uiso c ? H(19) -0.8094 -1.0251 -1.0846 0.146 1.000 . Uiso c ? H(20) -0.8520 -1.0754 -1.1765 0.141 1.000 . Uiso c ? H(21) -0.8960 -1.0065 -1.1256 0.136 1.000 . Uiso c ? H(22) -0.8971 -0.8512 -1.1143 0.103 1.000 . Uiso c ? loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Pt(1) 0.0531(6) 0.0566(7) 0.0541(8) -0.0018(6) 0.0038(6) -0.0020(7) Pt(2) 0.0484(6) 0.0542(7) 0.0691(9) -0.0020(6) -0.0014(6) 0.0073(8) Ru(1) 0.060(1) 0.064(2) 0.067(2) -0.010(1) -0.002(1) 0.003(2) Ru(2) 0.070(2) 0.061(2) 0.041(2) 0.003(1) -0.002(1) 0.005(1) Ru(3) 0.061(1) 0.050(1) 0.053(2) 0.005(1) 0.001(1) -0.002(1) Ru(4) 0.068(2) 0.066(2) 0.040(2) 0.001(1) -0.007(1) 0.002(1) Ru(5) 0.057(1) 0.055(1) 0.052(2) 0.005(1) 0.001(1) 0.002(1) Ru(6) 0.069(2) 0.063(2) 0.059(2) -0.013(1) -0.001(1) 0.004(2) Ru(7) 0.060(1) 0.051(1) 0.063(2) 0.000(1) 0.003(1) -0.002(1) Ru(8) 0.072(2) 0.070(2) 0.071(2) -0.010(2) -0.028(2) 0.014(2) Ru(9) 0.088(2) 0.068(2) 0.058(2) -0.010(2) 0.007(2) -0.007(2) Ru(10) 0.050(1) 0.060(2) 0.067(2) -0.002(1) -0.006(1) 0.003(2) P(1) 0.054(4) 0.070(5) 0.071(6) -0.014(3) -0.006(4) -0.001(5) P(2) 0.042(4) 0.055(5) 0.116(9) -0.007(3) 0.012(5) -0.002(5) #------------------------------------------------------------------------------ _refine_special_details ; ? ; _refine_ls_structure_factor_coef F _refine_ls_matrix_type full _refine_ls_weighting_scheme 'w = 1/[\s^2^(Fo) + 0.00160|Fo|^2^]' _refine_ls_hydrogen_treatment noref _refine_ls_extinction_method 'Zachariasen (1967)' _refine_ls_extinction_coef 0.00000034(2) _refine_ls_extinction_expression 'equ(3) Acta Cryst.(1968) A24, p213.' _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_number_reflns 3203 _refine_ls_number_parameters 440 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_R_factor_all 0.0581 _refine_ls_R_factor_gt 0.0581 _refine_ls_wR_factor_all 0.0798 _refine_ls_wR_factor_ref 0.0798 _refine_ls_goodness_of_fit_all 1.668 _refine_ls_goodness_of_fit_ref 1.668 _refine_ls_shift/esd_max 0.0706 _refine_ls_shift/esd_mean 0.0000 _refine_diff_density_min -1.17 _refine_diff_density_max 1.36 #------------------------------------------------------------------------------ _geom_special_details ; ? ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag Pt(1) Ru(2) 3.058(4) . . yes Pt(1) Ru(3) 2.773(4) . . yes Pt(1) Ru(4) 2.949(4) . . yes Pt(1) Ru(5) 2.888(3) . . yes Pt(1) P(1) 2.26(1) . . yes Pt(1) C(1) 2.04(3) . . yes Pt(1) C(33) 2.00(4) . . yes Pt(2) Ru(7) 2.951(4) . . yes Pt(2) Ru(8) 2.930(4) . . yes Pt(2) Ru(10) 2.758(3) . . yes Pt(2) P(2) 2.27(1) . . yes Pt(2) C(2) 2.05(4) . . yes Pt(2) C(103) 2.01(5) . . yes Ru(1) Ru(2) 2.819(5) . . yes Ru(1) Ru(4) 2.819(5) . . yes Ru(1) Ru(5) 2.920(5) . . yes Ru(1) C(1) 2.08(3) . . yes Ru(1) C(11) 1.92(5) . . yes Ru(1) C(12) 1.86(8) . . yes Ru(1) C(13) 1.94(6) . . yes Ru(2) Ru(3) 2.923(5) . . yes Ru(2) Ru(5) 2.862(5) . . yes Ru(2) C(1) 2.05(4) . . yes Ru(2) C(21) 1.85(5) . . yes Ru(2) C(22) 1.88(6) . . yes Ru(2) C(23) 1.83(6) . . yes Ru(3) Ru(4) 2.921(4) . . yes Ru(3) C(1) 2.06(3) . . yes Ru(3) C(31) 1.79(7) . . yes Ru(3) C(32) 1.90(6) . . yes Ru(3) C(33) 2.08(4) . . yes Ru(4) Ru(5) 2.895(5) . . yes Ru(4) C(1) 2.07(4) . . yes Ru(4) C(41) 1.79(6) . . yes Ru(4) C(42) 1.89(7) . . yes Ru(4) C(43) 1.76(8) . . yes Ru(5) C(1) 2.01(3) . . yes Ru(5) C(51) 1.86(4) . . yes Ru(5) C(52) 1.80(6) . . yes Ru(5) C(53) 1.85(4) . . yes Ru(6) Ru(7) 2.823(5) . . yes Ru(6) Ru(8) 2.899(5) . . yes Ru(6) Ru(9) 2.824(5) . . yes Ru(6) Ru(10) 2.979(5) . . yes Ru(6) C(2) 2.07(4) . . yes Ru(6) C(61) 1.89(6) . . yes Ru(6) C(62) 1.92(6) . . yes Ru(6) C(63) 1.74(6) . . yes Ru(7) Ru(8) 2.895(5) . . yes Ru(7) Ru(10) 2.937(5) . . yes Ru(7) C(2) 2.02(4) . . yes Ru(7) C(71) 1.84(5) . . yes Ru(7) C(72) 1.87(5) . . yes Ru(7) C(73) 1.85(5) . . yes Ru(8) Ru(9) 2.875(6) . . yes Ru(8) C(2) 2.05(4) . . yes Ru(8) C(81) 1.76(8) . . yes Ru(8) C(82) 1.95(6) . . yes Ru(8) C(83) 1.91(7) . . yes Ru(9) Ru(10) 2.907(6) . . yes Ru(9) C(2) 2.13(5) . . yes Ru(9) C(91) 2.3(1) . . yes Ru(9) C(92) 1.84(4) . . yes Ru(9) C(93) 1.96(8) . . yes Ru(10) C(2) 2.01(4) . . yes Ru(10) C(101) 1.77(6) . . yes Ru(10) C(102) 1.85(5) . . yes Ru(10) C(103) 1.90(5) . . yes P(1) C(111) 1.82(5) . . yes P(1) C(112) 1.78(5) . . yes P(1) C(113) 1.88(5) . . yes P(2) C(121) 1.79(5) . . yes P(2) C(122) 1.86(6) . . yes P(2) C(123) 1.82(4) . . yes O(11) C(11) 1.20(6) . . yes O(12) C(12) 1.24(8) . . yes O(13) C(13) 1.19(8) . . yes O(21) C(21) 1.21(5) . . yes O(22) C(22) 1.21(6) . . yes O(23) C(23) 1.19(6) . . yes O(31) C(31) 1.23(7) . . yes O(32) C(32) 1.16(6) . . yes O(33) C(33) 1.19(4) . . yes O(41) C(41) 1.23(6) . . yes O(42) C(42) 1.18(7) . . yes O(43) C(43) 1.31(8) . . yes O(51) C(51) 1.21(5) . . yes O(52) C(52) 1.22(6) . . yes O(53) C(53) 1.21(5) . . yes O(61) C(61) 1.22(6) . . yes O(62) C(62) 1.17(6) . . yes O(63) C(63) 1.29(6) . . yes O(71) C(71) 1.25(6) . . yes O(72) C(72) 1.10(5) . . yes O(73) C(73) 1.21(5) . . yes O(81) C(81) 1.16(9) . . yes O(82) C(82) 1.13(6) . . yes O(83) C(83) 1.12(7) . . yes O(91) C(91) 1.2(1) . . yes O(92) C(92) 1.18(5) . . yes O(93) C(93) 1.24(8) . . yes O(101) C(101) 1.19(7) . . yes O(102) C(102) 1.13(5) . . yes O(103) C(103) 1.27(6) . . yes C(111) H(1) 0.98 . . no C(111) H(2) 1.03 . . no C(111) H(3) 0.95 . . no C(112) H(4) 0.86 . . no C(112) H(5) 0.96 . . no C(112) H(6) 0.96 . . no C(113) C(114) 1.49(7) . . yes C(113) C(118) 1.34(7) . . yes C(114) C(115) 1.45(7) . . yes C(114) H(7) 1.05 . . no C(115) C(116) 1.54(9) . . yes C(115) H(8) 1.03 . . no C(116) C(117) 1.29(9) . . yes C(116) H(9) 0.91 . . no C(117) C(118) 1.38(8) . . yes C(117) H(10) 0.89 . . no C(118) H(11) 0.89 . . no C(121) H(12) 0.89 . . no C(121) H(13) 1.08 . . no C(121) H(14) 0.93 . . no C(122) H(15) 0.93 . . no C(122) H(16) 0.93 . . no C(122) H(17) 0.90 . . no C(123) C(124) 1.37(6) . . yes C(123) C(128) 1.37(6) . . yes C(124) C(125) 1.37(8) . . yes C(124) H(18) 0.92 . . no C(125) C(126) 1.25(7) . . yes C(125) H(19) 0.95 . . no C(126) C(127) 1.38(7) . . yes C(126) H(20) 1.02 . . no C(127) C(128) 1.29(7) . . yes C(127) H(21) 0.96 . . no C(128) H(22) 0.98 . . no #------------------------------------------------------------------------------ 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_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag Ru(2) Pt(1) Ru(3) 59.9(1) . . . yes Ru(2) Pt(1) Ru(4) 86.3(1) . . . yes Ru(2) Pt(1) Ru(5) 57.5(1) . . . yes Ru(2) Pt(1) P(1) 134.3(4) . . . yes Ru(2) Pt(1) C(1) 42(1) . . . yes Ru(2) Pt(1) C(33) 95(1) . . . yes Ru(3) Pt(1) Ru(4) 61.3(1) . . . yes Ru(3) Pt(1) Ru(5) 91.9(1) . . . yes Ru(3) Pt(1) P(1) 144.5(3) . . . yes Ru(3) Pt(1) C(1) 47.8(9) . . . yes Ru(3) Pt(1) C(33) 48(1) . . . yes Ru(4) Pt(1) Ru(5) 59.5(1) . . . yes Ru(4) Pt(1) P(1) 136.7(4) . . . yes Ru(4) Pt(1) C(1) 45(1) . . . yes Ru(4) Pt(1) C(33) 94(1) . . . yes Ru(5) Pt(1) P(1) 123.5(3) . . . yes Ru(5) Pt(1) C(1) 44.1(9) . . . yes Ru(5) Pt(1) C(33) 140(1) . . . yes P(1) Pt(1) C(1) 167.4(9) . . . yes P(1) Pt(1) C(33) 96(1) . . . yes C(1) Pt(1) C(33) 96(1) . . . yes Ru(7) Pt(2) Ru(8) 59.0(1) . . . yes Ru(7) Pt(2) Ru(10) 61.8(1) . . . yes Ru(7) Pt(2) P(2) 132.5(3) . . . yes Ru(7) Pt(2) C(2) 43(1) . . . yes Ru(7) Pt(2) C(103) 91(2) . . . yes Ru(8) Pt(2) Ru(10) 91.0(1) . . . yes Ru(8) Pt(2) P(2) 123.6(3) . . . yes Ru(8) Pt(2) C(2) 44(1) . . . yes Ru(8) Pt(2) C(103) 135(2) . . . yes Ru(10) Pt(2) P(2) 145.4(4) . . . yes Ru(10) Pt(2) C(2) 47(1) . . . yes Ru(10) Pt(2) C(103) 44(2) . . . yes P(2) Pt(2) C(2) 168(1) . . . yes P(2) Pt(2) C(103) 102(2) . . . yes C(2) Pt(2) C(103) 90(2) . . . yes Ru(2) Ru(1) Ru(4) 93.6(1) . . . yes Ru(2) Ru(1) Ru(5) 59.8(1) . . . yes Ru(2) Ru(1) C(1) 46(1) . . . yes Ru(2) Ru(1) C(11) 108(2) . . . yes Ru(2) Ru(1) C(12) 83(2) . . . yes Ru(2) Ru(1) C(13) 160(2) . . . yes Ru(4) Ru(1) Ru(5) 60.6(1) . . . yes Ru(4) Ru(1) C(1) 47(1) . . . yes Ru(4) Ru(1) C(11) 105(2) . . . yes Ru(4) Ru(1) C(12) 161(2) . . . yes Ru(4) Ru(1) C(13) 84(2) . . . yes Ru(5) Ru(1) C(1) 43.5(9) . . . yes Ru(5) Ru(1) C(11) 158(2) . . . yes Ru(5) Ru(1) C(12) 102(2) . . . yes Ru(5) Ru(1) C(13) 102(2) . . . yes C(1) Ru(1) C(11) 114(2) . . . yes C(1) Ru(1) C(12) 127(3) . . . yes C(1) Ru(1) C(13) 128(2) . . . yes C(11) Ru(1) C(12) 94(3) . . . yes C(11) Ru(1) C(13) 92(2) . . . yes C(12) Ru(1) C(13) 93(3) . . . yes Pt(1) Ru(2) Ru(1) 88.9(1) . . . yes Pt(1) Ru(2) Ru(3) 55.18(9) . . . yes Pt(1) Ru(2) Ru(5) 58.3(1) . . . yes Pt(1) Ru(2) C(1) 41.6(8) . . . yes Pt(1) Ru(2) C(21) 130(1) . . . yes Pt(1) Ru(2) C(22) 133(2) . . . yes Pt(1) Ru(2) C(23) 73(2) . . . yes Ru(1) Ru(2) Ru(3) 63.1(1) . . . yes Ru(1) Ru(2) Ru(5) 61.9(1) . . . yes Ru(1) Ru(2) C(1) 47.4(8) . . . yes Ru(1) Ru(2) C(21) 102(1) . . . yes Ru(1) Ru(2) C(22) 99(2) . . . yes Ru(1) Ru(2) C(23) 161(2) . . . yes Ru(3) Ru(2) Ru(5) 89.4(1) . . . yes Ru(3) Ru(2) C(1) 44.9(9) . . . yes Ru(3) Ru(2) C(21) 87(2) . . . yes Ru(3) Ru(2) C(22) 161(2) . . . yes Ru(3) Ru(2) C(23) 107(2) . . . yes Ru(5) Ru(2) C(1) 44.6(9) . . . yes Ru(5) Ru(2) C(21) 163(1) . . . yes Ru(5) Ru(2) C(22) 85(2) . . . yes Ru(5) Ru(2) C(23) 105(2) . . . yes C(1) Ru(2) C(21) 128(2) . . . yes C(1) Ru(2) C(22) 126(2) . . . yes C(1) Ru(2) C(23) 114(2) . . . yes C(21) Ru(2) C(22) 94(2) . . . yes C(21) Ru(2) C(23) 93(2) . . . yes C(22) Ru(2) C(23) 92(3) . . . yes Pt(1) Ru(3) Ru(2) 64.9(1) . . . yes Pt(1) Ru(3) Ru(4) 62.3(1) . . . yes Pt(1) Ru(3) C(1) 47.2(8) . . . yes Pt(1) Ru(3) C(31) 126(2) . . . yes Pt(1) Ru(3) C(32) 124(2) . . . yes Pt(1) Ru(3) C(33) 46(1) . . . yes Ru(2) Ru(3) Ru(4) 89.4(1) . . . yes Ru(2) Ru(3) C(1) 44(1) . . . yes Ru(2) Ru(3) C(31) 169(2) . . . yes Ru(2) Ru(3) C(32) 88(2) . . . yes Ru(2) Ru(3) C(33) 97(1) . . . yes Ru(4) Ru(3) C(1) 45(1) . . . yes Ru(4) Ru(3) C(31) 95(2) . . . yes Ru(4) Ru(3) C(32) 171(2) . . . yes Ru(4) Ru(3) C(33) 93(1) . . . yes C(1) Ru(3) C(31) 140(2) . . . yes C(1) Ru(3) C(32) 133(2) . . . yes C(1) Ru(3) C(33) 93(1) . . . yes C(31) Ru(3) C(32) 86(3) . . . yes C(31) Ru(3) C(33) 93(2) . . . yes C(32) Ru(3) C(33) 96(2) . . . yes Pt(1) Ru(4) Ru(1) 91.1(1) . . . yes Pt(1) Ru(4) Ru(3) 56.38(9) . . . yes Pt(1) Ru(4) Ru(5) 59.21(9) . . . yes Pt(1) Ru(4) C(1) 43.9(8) . . . yes Pt(1) Ru(4) C(41) 133(2) . . . yes Pt(1) Ru(4) C(42) 129(2) . . . yes Pt(1) Ru(4) C(43) 68(3) . . . yes Ru(1) Ru(4) Ru(3) 63.1(1) . . . yes Ru(1) Ru(4) Ru(5) 61.4(1) . . . yes Ru(1) Ru(4) C(1) 47.3(8) . . . yes Ru(1) Ru(4) C(41) 99(2) . . . yes Ru(1) Ru(4) C(42) 98(2) . . . yes Ru(1) Ru(4) C(43) 159(3) . . . yes Ru(3) Ru(4) Ru(5) 88.8(1) . . . yes Ru(3) Ru(4) C(1) 44.9(9) . . . yes Ru(3) Ru(4) C(41) 161(2) . . . yes Ru(3) Ru(4) C(42) 84(2) . . . yes Ru(3) Ru(4) C(43) 104(2) . . . yes Ru(5) Ru(4) C(1) 44.0(9) . . . yes Ru(5) Ru(4) C(41) 86(2) . . . yes Ru(5) Ru(4) C(42) 160(2) . . . yes Ru(5) Ru(4) C(43) 103(3) . . . yes C(1) Ru(4) C(41) 127(2) . . . yes C(1) Ru(4) C(42) 125(2) . . . yes C(1) Ru(4) C(43) 112(3) . . . yes C(41) Ru(4) C(42) 94(3) . . . yes C(41) Ru(4) C(43) 95(3) . . . yes C(42) Ru(4) C(43) 97(3) . . . yes Pt(1) Ru(5) Ru(1) 90.4(1) . . . yes Pt(1) Ru(5) Ru(2) 64.3(1) . . . yes Pt(1) Ru(5) Ru(4) 61.3(1) . . . yes Pt(1) Ru(5) C(1) 45.0(9) . . . yes Pt(1) Ru(5) C(51) 166(1) . . . yes Pt(1) Ru(5) C(52) 101(2) . . . yes Pt(1) Ru(5) C(53) 81(1) . . . yes Ru(1) Ru(5) Ru(2) 58.3(1) . . . yes Ru(1) Ru(5) Ru(4) 58.0(1) . . . yes Ru(1) Ru(5) C(1) 45.4(9) . . . yes Ru(1) Ru(5) C(51) 78(1) . . . yes Ru(1) Ru(5) C(52) 129(2) . . . yes Ru(1) Ru(5) C(53) 141(1) . . . yes Ru(2) Ru(5) Ru(4) 91.1(1) . . . yes Ru(2) Ru(5) C(1) 46(1) . . . yes Ru(2) Ru(5) C(51) 103(2) . . . yes Ru(2) Ru(5) C(52) 165(2) . . . yes Ru(2) Ru(5) C(53) 84(1) . . . yes Ru(4) Ru(5) C(1) 46(1) . . . yes Ru(4) Ru(5) C(51) 117(2) . . . yes Ru(4) Ru(5) C(52) 85(2) . . . yes Ru(4) Ru(5) C(53) 140(1) . . . yes C(1) Ru(5) C(51) 123(2) . . . yes C(1) Ru(5) C(52) 127(2) . . . yes C(1) Ru(5) C(53) 115(2) . . . yes C(51) Ru(5) C(52) 92(2) . . . yes C(51) Ru(5) C(53) 102(2) . . . yes C(52) Ru(5) C(53) 90(2) . . . yes Ru(7) Ru(6) Ru(8) 60.8(1) . . . yes Ru(7) Ru(6) Ru(9) 94.1(1) . . . yes Ru(7) Ru(6) Ru(10) 60.8(1) . . . yes Ru(7) Ru(6) C(2) 46(1) . . . yes Ru(7) Ru(6) C(61) 161(2) . . . yes Ru(7) Ru(6) C(62) 89(2) . . . yes Ru(7) Ru(6) C(63) 103(2) . . . yes Ru(8) Ru(6) Ru(9) 60.3(1) . . . yes Ru(8) Ru(6) Ru(10) 87.3(1) . . . yes Ru(8) Ru(6) C(2) 45(1) . . . yes Ru(8) Ru(6) C(61) 101(2) . . . yes Ru(8) Ru(6) C(62) 100(2) . . . yes Ru(8) Ru(6) C(63) 157(2) . . . yes Ru(9) Ru(6) Ru(10) 60.1(1) . . . yes Ru(9) Ru(6) C(2) 49(1) . . . yes Ru(9) Ru(6) C(61) 81(2) . . . yes Ru(9) Ru(6) C(62) 155(2) . . . yes Ru(9) Ru(6) C(63) 109(2) . . . yes Ru(10) Ru(6) C(2) 42(1) . . . yes Ru(10) Ru(6) C(61) 129(2) . . . yes Ru(10) Ru(6) C(62) 140(2) . . . yes Ru(10) Ru(6) C(63) 70(2) . . . yes C(2) Ru(6) C(61) 127(2) . . . yes C(2) Ru(6) C(62) 130(2) . . . yes C(2) Ru(6) C(63) 112(2) . . . yes C(61) Ru(6) C(62) 88(3) . . . yes C(61) Ru(6) C(63) 97(3) . . . yes C(62) Ru(6) C(63) 95(3) . . . yes Pt(2) Ru(7) Ru(6) 91.0(1) . . . yes Pt(2) Ru(7) Ru(8) 60.2(1) . . . yes Pt(2) Ru(7) Ru(10) 55.87(9) . . . yes Pt(2) Ru(7) C(2) 44(1) . . . yes Pt(2) Ru(7) C(71) 138(2) . . . yes Pt(2) Ru(7) C(72) 125(1) . . . yes Pt(2) Ru(7) C(73) 68(2) . . . yes Ru(6) Ru(7) Ru(8) 60.9(1) . . . yes Ru(6) Ru(7) Ru(10) 62.3(1) . . . yes Ru(6) Ru(7) C(2) 47(1) . . . yes Ru(6) Ru(7) C(71) 98(2) . . . yes Ru(6) Ru(7) C(72) 105(2) . . . yes Ru(6) Ru(7) C(73) 159(2) . . . yes Ru(8) Ru(7) Ru(10) 88.2(1) . . . yes Ru(8) Ru(7) C(2) 45(1) . . . yes Ru(8) Ru(7) C(71) 89(2) . . . yes Ru(8) Ru(7) C(72) 166(2) . . . yes Ru(8) Ru(7) C(73) 104(2) . . . yes Ru(10) Ru(7) C(2) 43(1) . . . yes Ru(10) Ru(7) C(71) 159(2) . . . yes Ru(10) Ru(7) C(72) 85(1) . . . yes Ru(10) Ru(7) C(73) 105(2) . . . yes C(2) Ru(7) C(71) 130(2) . . . yes C(2) Ru(7) C(72) 127(2) . . . yes C(2) Ru(7) C(73) 112(2) . . . yes C(71) Ru(7) C(72) 93(2) . . . yes C(71) Ru(7) C(73) 96(2) . . . yes C(72) Ru(7) C(73) 90(2) . . . yes Pt(2) Ru(8) Ru(6) 89.9(1) . . . yes Pt(2) Ru(8) Ru(7) 60.9(1) . . . yes Pt(2) Ru(8) Ru(9) 64.1(1) . . . yes Pt(2) Ru(8) C(2) 44(1) . . . yes Pt(2) Ru(8) C(81) 158(2) . . . yes Pt(2) Ru(8) C(82) 106(2) . . . yes Pt(2) Ru(8) C(83) 72(2) . . . yes Ru(6) Ru(8) Ru(7) 58.3(1) . . . yes Ru(6) Ru(8) Ru(9) 58.6(1) . . . yes Ru(6) Ru(8) C(2) 45(1) . . . yes Ru(6) Ru(8) C(81) 81(2) . . . yes Ru(6) Ru(8) C(82) 122(2) . . . yes Ru(6) Ru(8) C(83) 150(2) . . . yes Ru(7) Ru(8) Ru(9) 91.5(1) . . . yes Ru(7) Ru(8) C(2) 44(1) . . . yes Ru(7) Ru(8) C(81) 127(2) . . . yes Ru(7) Ru(8) C(82) 81(2) . . . yes Ru(7) Ru(8) C(83) 125(2) . . . yes Ru(9) Ru(8) C(2) 48(1) . . . yes Ru(9) Ru(8) C(81) 95(2) . . . yes Ru(9) Ru(8) C(82) 170(2) . . . yes Ru(9) Ru(8) C(83) 92(2) . . . yes C(2) Ru(8) C(81) 124(3) . . . yes C(2) Ru(8) C(82) 124(2) . . . yes C(2) Ru(8) C(83) 112(2) . . . yes C(81) Ru(8) C(82) 95(3) . . . yes C(81) Ru(8) C(83) 108(3) . . . yes C(82) Ru(8) C(83) 87(2) . . . yes Ru(6) Ru(9) Ru(8) 61.1(1) . . . yes Ru(6) Ru(9) Ru(10) 62.6(1) . . . yes Ru(6) Ru(9) C(2) 47(1) . . . yes Ru(6) Ru(9) C(91) 104(3) . . . yes Ru(6) Ru(9) C(92) 98(1) . . . yes Ru(6) Ru(9) C(93) 160(2) . . . yes Ru(8) Ru(9) Ru(10) 89.2(2) . . . yes Ru(8) Ru(9) C(2) 45(1) . . . yes Ru(8) Ru(9) C(91) 74(3) . . . yes Ru(8) Ru(9) C(92) 157(1) . . . yes Ru(8) Ru(9) C(93) 106(2) . . . yes Ru(10) Ru(9) C(2) 44(1) . . . yes Ru(10) Ru(9) C(91) 163(3) . . . yes Ru(10) Ru(9) C(92) 88(2) . . . yes Ru(10) Ru(9) C(93) 104(2) . . . yes C(2) Ru(9) C(91) 119(3) . . . yes C(2) Ru(9) C(92) 127(2) . . . yes C(2) Ru(9) C(93) 113(3) . . . yes C(91) Ru(9) C(92) 105(3) . . . yes C(91) Ru(9) C(93) 85(4) . . . yes C(92) Ru(9) C(93) 97(2) . . . yes Pt(2) Ru(10) Ru(6) 91.7(1) . . . yes Pt(2) Ru(10) Ru(7) 62.32(9) . . . yes Pt(2) Ru(10) Ru(9) 65.8(1) . . . yes Pt(2) Ru(10) C(2) 48(1) . . . yes Pt(2) Ru(10) C(101) 126(2) . . . yes Pt(2) Ru(10) C(102) 119(1) . . . yes Pt(2) Ru(10) C(103) 47(2) . . . yes Ru(6) Ru(10) Ru(7) 57.0(1) . . . yes Ru(6) Ru(10) Ru(9) 57.3(1) . . . yes Ru(6) Ru(10) C(2) 44(1) . . . yes Ru(6) Ru(10) C(101) 113(2) . . . yes Ru(6) Ru(10) C(102) 119(2) . . . yes Ru(6) Ru(10) C(103) 138(2) . . . yes Ru(7) Ru(10) Ru(9) 90.0(1) . . . yes Ru(7) Ru(10) C(2) 43(1) . . . yes Ru(7) Ru(10) C(101) 92(2) . . . yes Ru(7) Ru(10) C(102) 176(2) . . . yes Ru(7) Ru(10) C(103) 94(2) . . . yes Ru(9) Ru(10) C(2) 47(1) . . . yes Ru(9) Ru(10) C(101) 166(2) . . . yes Ru(9) Ru(10) C(102) 87(2) . . . yes Ru(9) Ru(10) C(103) 99(2) . . . yes C(2) Ru(10) C(101) 134(2) . . . yes C(2) Ru(10) C(102) 134(2) . . . yes C(2) Ru(10) C(103) 95(2) . . . yes C(101) Ru(10) C(102) 90(2) . . . yes C(101) Ru(10) C(103) 95(3) . . . yes C(102) Ru(10) C(103) 90(2) . . . yes Pt(1) P(1) C(111) 115(2) . . . yes Pt(1) P(1) C(112) 115(2) . . . yes Pt(1) P(1) C(113) 110(2) . . . yes C(111) P(1) C(112) 105(2) . . . yes C(111) P(1) C(113) 110(2) . . . yes C(112) P(1) C(113) 102(2) . . . yes Pt(2) P(2) C(121) 114(2) . . . yes Pt(2) P(2) C(122) 117(2) . . . yes Pt(2) P(2) C(123) 117(2) . . . yes C(121) P(2) C(122) 101(3) . . . yes C(121) P(2) C(123) 103(2) . . . yes C(122) P(2) C(123) 102(2) . . . yes Pt(1) C(1) Ru(1) 176(2) . . . yes Pt(1) C(1) Ru(2) 97(1) . . . yes Pt(1) C(1) Ru(3) 85(1) . . . yes Pt(1) C(1) Ru(4) 91(1) . . . yes Pt(1) C(1) Ru(5) 91(1) . . . yes Ru(1) C(1) Ru(2) 86(1) . . . yes Ru(1) C(1) Ru(3) 93(1) . . . yes Ru(1) C(1) Ru(4) 85(1) . . . yes Ru(1) C(1) Ru(5) 91(1) . . . yes Ru(2) C(1) Ru(3) 91(1) . . . yes Ru(2) C(1) Ru(4) 172(2) . . . yes Ru(2) C(1) Ru(5) 90(1) . . . yes Ru(3) C(1) Ru(4) 90(1) . . . yes Ru(3) C(1) Ru(5) 176(2) . . . yes Ru(4) C(1) Ru(5) 90(1) . . . yes Pt(2) C(2) Ru(6) 179(2) . . . yes Pt(2) C(2) Ru(7) 93(2) . . . yes Pt(2) C(2) Ru(8) 91(2) . . . yes Pt(2) C(2) Ru(9) 95(2) . . . yes Pt(2) C(2) Ru(10) 85(2) . . . yes Ru(6) C(2) Ru(7) 87(2) . . . yes Ru(6) C(2) Ru(8) 89(2) . . . yes Ru(6) C(2) Ru(9) 85(2) . . . yes Ru(6) C(2) Ru(10) 94(2) . . . yes Ru(7) C(2) Ru(8) 91(2) . . . yes Ru(7) C(2) Ru(9) 172(2) . . . yes Ru(7) C(2) Ru(10) 94(2) . . . yes Ru(8) C(2) Ru(9) 87(2) . . . yes Ru(8) C(2) Ru(10) 175(2) . . . yes Ru(9) C(2) Ru(10) 89(2) . . . yes Ru(1) C(11) O(11) 150(6) . . . yes Ru(1) C(12) O(12) 169(7) . . . yes Ru(1) C(13) O(13) 166(6) . . . yes Ru(2) C(21) O(21) 172(4) . . . yes Ru(2) C(22) O(22) 179(5) . . . yes Ru(2) C(23) O(23) 176(5) . . . yes Ru(3) C(31) O(31) 173(6) . . . yes Ru(3) C(32) O(32) 175(5) . . . yes Pt(1) C(33) Ru(3) 86(1) . . . yes Pt(1) C(33) O(33) 136(3) . . . yes Ru(3) C(33) O(33) 138(3) . . . yes Ru(4) C(41) O(41) 170(5) . . . yes Ru(4) C(42) O(42) 172(6) . . . yes Ru(4) C(43) O(43) 164(7) . . . yes Ru(5) C(51) O(51) 169(4) . . . yes Ru(5) C(52) O(52) 177(5) . . . yes Ru(5) C(53) O(53) 177(3) . . . yes Ru(6) C(61) O(61) 166(4) . . . yes Ru(6) C(62) O(62) 173(6) . . . yes Ru(6) C(63) O(63) 175(6) . . . yes Ru(7) C(71) O(71) 174(5) . . . yes Ru(7) C(72) O(72) 163(5) . . . yes Ru(7) C(73) O(73) 174(4) . . . yes Ru(8) C(81) O(81) 172(7) . . . yes Ru(8) C(82) O(82) 161(6) . . . yes Ru(8) C(83) O(83) 176(7) . . . yes Ru(9) C(91) O(91) 116(8) . . . yes Ru(9) C(92) O(92) 174(5) . . . yes Ru(9) C(93) O(93) 171(6) . . . yes Ru(10) C(101) O(101) 172(6) . . . yes Ru(10) C(102) O(102) 172(5) . . . yes Pt(2) C(103) Ru(10) 90(2) . . . yes Pt(2) C(103) O(103) 128(4) . . . yes Ru(10) C(103) O(103) 142(4) . . . yes P(1) C(111) H(1) 114.4 . . . no P(1) C(111) H(2) 113.9 . . . no P(1) C(111) H(3) 115.8 . . . no H(1) C(111) H(2) 101.0 . . . no H(1) C(111) H(3) 106.9 . . . no H(2) C(111) H(3) 103.2 . . . no P(1) C(112) H(4) 104.9 . . . no P(1) C(112) H(5) 104.0 . . . no P(1) C(112) H(6) 103.9 . . . no H(4) C(112) H(5) 116.9 . . . no H(4) C(112) H(6) 117.3 . . . no H(5) C(112) H(6) 108.0 . . . no P(1) C(113) C(114) 111(4) . . . yes P(1) C(113) C(118) 124(4) . . . yes C(114) C(113) C(118) 123(5) . . . yes C(113) C(114) C(115) 117(5) . . . yes C(113) C(114) H(7) 124.6 . . . no C(115) C(114) H(7) 117.9 . . . no C(114) C(115) C(116) 110(5) . . . yes C(114) C(115) H(8) 124.6 . . . no C(116) C(115) H(8) 125.0 . . . no C(115) C(116) C(117) 129(7) . . . yes C(115) C(116) H(9) 116.0 . . . no C(117) C(116) H(9) 114.7 . . . no C(116) C(117) C(118) 117(8) . . . yes C(116) C(117) H(10) 127.1 . . . no C(118) C(117) H(10) 115.4 . . . no C(113) C(118) C(117) 122(7) . . . yes C(113) C(118) H(11) 112.9 . . . no C(117) C(118) H(11) 125.1 . . . no P(2) C(121) H(12) 113.5 . . . no P(2) C(121) H(13) 108.1 . . . no P(2) C(121) H(14) 111.0 . . . no H(12) C(121) H(13) 103.8 . . . no H(12) C(121) H(14) 117.8 . . . no H(13) C(121) H(14) 101.2 . . . no P(2) C(122) H(15) 102.6 . . . no P(2) C(122) H(16) 102.5 . . . no P(2) C(122) H(17) 102.6 . . . no H(15) C(122) H(16) 113.2 . . . no H(15) C(122) H(17) 116.7 . . . no H(16) C(122) H(17) 116.3 . . . no P(2) C(123) C(124) 119(4) . . . yes P(2) C(123) C(128) 126(3) . . . yes C(124) C(123) C(128) 114(4) . . . yes C(123) C(124) C(125) 131(5) . . . yes C(123) C(124) H(18) 117.6 . . . no C(125) C(124) H(18) 111.8 . . . no C(124) C(125) C(126) 109(6) . . . yes C(124) C(125) H(19) 131.0 . . . no C(126) C(125) H(19) 119.2 . . . no C(125) C(126) C(127) 124(6) . . . yes C(125) C(126) H(20) 121.4 . . . no C(127) C(126) H(20) 113.7 . . . no C(126) C(127) C(128) 124(6) . . . yes C(126) C(127) H(21) 118.4 . . . no C(128) C(127) H(21) 117.4 . . . no C(123) C(128) C(127) 114(5) . . . yes C(123) C(128) H(22) 124.2 . . . no C(127) C(128) H(22) 120.9 . . . no