#------------------------------------------------------------------------------ #$Date: 2019-12-09 10:08:11 +0200 (Mon, 09 Dec 2019) $ #$Revision: 244946 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/64/1556447.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1556447 loop_ _publ_author_name 'Oyama, D.' 'Fukuda, A.' 'Yamanaka, T.' 'Takase, T.' _publ_section_title ; Facile and Selective Synthetic Approach for Ruthenium Complexes Utilizing a Molecular Sieve Effect in the Supporting Ligand ; _journal_name_full Inorganics _journal_page_first 32 _journal_page_last 45 _journal_paper_doi 10.3390/inorganics1010032 _journal_volume 1 _journal_year 2013 _chemical_formula_moiety 'C59 H46 Cl2 N6 O8 P2 Ru ' _chemical_formula_sum 'C59 H46 Cl2 N6 O8 P2 Ru' _chemical_formula_weight 1200.97 _space_group_IT_number 15 _space_group_name_Hall '-C 2yc' _space_group_name_H-M_alt 'C 1 2/c 1' _symmetry_cell_setting monoclinic _symmetry_Int_Tables_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90.0000 _cell_angle_beta 96.4561(7) _cell_angle_gamma 90.0000 _cell_formula_units_Z 4 _cell_length_a 17.7754(3) _cell_length_b 13.2405(2) _cell_length_c 22.6972(4) _cell_measurement_reflns_used 22151 _cell_measurement_temperature 296(1) _cell_measurement_theta_max 27.5 _cell_measurement_theta_min 3.1 _cell_volume 5308.03(15) _computing_cell_refinement PROCESS-AUTO _computing_data_collection PROCESS-AUTO _computing_data_reduction CrystalStructure _computing_molecular_graphics 'CrystalStructure 3.8' _computing_publication_material 'CrystalStructure 3.8' _computing_structure_refinement SHELXL _computing_structure_solution SIR97 _diffrn_ambient_temperature 296(1) _diffrn_detector_area_resol_mean 10.00 _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.998 _diffrn_measurement_device_type 'Rigaku RAXIS-RAPID' _diffrn_measurement_method \w _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71075 _diffrn_reflns_av_R_equivalents 0.027 _diffrn_reflns_limit_h_max 23 _diffrn_reflns_limit_h_min -23 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_l_max 29 _diffrn_reflns_limit_l_min -28 _diffrn_reflns_number 25463 _diffrn_reflns_theta_full 27.46 _diffrn_reflns_theta_max 27.46 _exptl_absorpt_coefficient_mu 0.520 _exptl_absorpt_correction_T_max 0.925 _exptl_absorpt_correction_T_min 0.591 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; Higashi, T. (1995). Program for Absorption Correction. Rigaku Corporation, Tokyo, Japan. ; _exptl_crystal_colour orange _exptl_crystal_density_diffrn 1.503 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 2456.00 _exptl_crystal_size_max 0.30 _exptl_crystal_size_mid 0.30 _exptl_crystal_size_min 0.15 _refine_diff_density_max 1.25 _refine_diff_density_min -0.67 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.050 _refine_ls_hydrogen_treatment refall _refine_ls_number_parameters 356 _refine_ls_number_reflns 6075 _refine_ls_R_factor_gt 0.0444 _refine_ls_shift/su_max 0.0010 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w = 1/[\s^2^(Fo^2^)+(0.0764P)^2^+8.9696P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_ref 0.1292 _reflns_number_gt 5449 _reflns_number_total 6075 _reflns_threshold_expression F^2^>2.0\s(F^2^) _cod_data_source_file complex_2.cif _cod_data_source_block '[Ru(dnp)(PPh3)2(CH3CN)](ClO4)2' _cod_original_formula_sum 'C59 H46 Cl2 N6 O8 P2 Ru ' _cod_database_code 1556447 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +X,+Y,+Z 2 -X,+Y,1/2-Z 3 -X,-Y,-Z 4 +X,-Y,1/2+Z 5 1/2+X,1/2+Y,+Z 6 1/2-X,1/2+Y,1/2-Z 7 1/2-X,1/2-Y,-Z 8 1/2+X,1/2-Y,1/2+Z 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 Ru(1) Ru 0.0000 0.014531(18) 0.2500 0.02889(10) Uani 1.00 2 d S . . Cl(2) Cl 0.39086(7) -0.00001(7) 0.08886(5) 0.0753(2) Uani 1.00 1 d . . . P(1) P 0.10067(4) 0.01301(5) 0.18586(3) 0.03302(14) Uani 1.00 1 d . . . O(1) O 0.3665(2) 0.0950(2) 0.07126(19) 0.1223(14) Uani 1.00 1 d . . . O(2) O 0.3613(5) -0.0172(5) 0.1443(3) 0.210(3) Uani 1.00 1 d . . . O(3) O 0.3770(4) -0.0750(4) 0.0523(2) 0.195(2) Uani 1.00 1 d . . . O(4) O 0.4651(4) -0.0017(5) 0.1141(4) 0.216(3) Uani 1.00 1 d . . . N(1) N -0.11898(15) 0.1478(2) 0.15441(13) 0.0588(7) Uani 1.00 1 d . . . N(2) N -0.07919(13) -0.01648(17) 0.17531(10) 0.0392(4) Uani 1.00 1 d . . . N(3) N 0.0000 -0.1341(2) 0.2500 0.0421(7) Uani 1.00 2 d S . . N(4) N 0.0000 0.1694(2) 0.2500 0.0360(6) Uani 1.00 2 d S . . C(1) C -0.1635(2) 0.2123(3) 0.12235(19) 0.0789(12) Uani 1.00 1 d . . . C(2) C -0.2148(2) 0.1860(4) 0.0745(2) 0.0950(16) Uani 1.00 1 d . . . C(3) C -0.2189(2) 0.0886(4) 0.05725(18) 0.0917(16) Uani 1.00 1 d . . . C(4) C -0.1725(2) 0.0148(3) 0.08960(15) 0.0687(11) Uani 1.00 1 d . . . C(5) C -0.12384(16) 0.0506(2) 0.13910(12) 0.0482(6) Uani 1.00 1 d . . . C(6) C -0.1721(2) -0.0887(4) 0.07679(17) 0.0808(13) Uani 1.00 1 d . . . C(7) C -0.1306(2) -0.1529(3) 0.11230(17) 0.0717(10) Uani 1.00 1 d . . . C(8) C -0.08570(17) -0.1160(2) 0.16331(13) 0.0493(6) Uani 1.00 1 d . . . C(9) C -0.04383(18) -0.1830(2) 0.20606(15) 0.0523(7) Uani 1.00 1 d . . . C(10) C -0.0453(2) -0.2888(2) 0.2066(2) 0.0780(11) Uani 1.00 1 d . . . C(11) C 0.0000 -0.3395(4) 0.2500 0.090(2) Uani 1.00 2 d S . . C(12) C 0.09004(15) -0.0867(2) 0.12901(12) 0.0395(5) Uani 1.00 1 d . . . C(13) C 0.0947(2) -0.1890(2) 0.14296(15) 0.0573(7) Uani 1.00 1 d . . . C(14) C 0.0815(2) -0.2630(2) 0.09943(18) 0.0710(10) Uani 1.00 1 d . . . C(15) C 0.0623(2) -0.2358(3) 0.04169(16) 0.0682(9) Uani 1.00 1 d . . . C(16) C 0.0554(2) -0.1371(3) 0.02744(17) 0.0830(12) Uani 1.00 1 d . . . C(17) C 0.0694(2) -0.0624(2) 0.06987(15) 0.0657(9) Uani 1.00 1 d . . . C(18) C 0.19358(15) -0.0042(2) 0.22903(12) 0.0390(5) Uani 1.00 1 d . . . C(19) C 0.2260(2) -0.0961(2) 0.2456(2) 0.0703(10) Uani 1.00 1 d . . . C(20) C 0.2917(2) -0.1022(3) 0.2849(2) 0.0810(12) Uani 1.00 1 d . . . C(21) C 0.3273(2) -0.0174(3) 0.30701(18) 0.0657(9) Uani 1.00 1 d . . . C(22) C 0.2964(2) 0.0739(3) 0.29108(17) 0.0661(9) Uani 1.00 1 d . . . C(23) C 0.22979(19) 0.0811(2) 0.25320(15) 0.0575(8) Uani 1.00 1 d . . . C(24) C 0.11629(15) 0.1233(2) 0.14004(11) 0.0384(5) Uani 1.00 1 d . . . C(25) C 0.18416(17) 0.1296(2) 0.11415(13) 0.0473(6) Uani 1.00 1 d . . . C(26) C 0.1948(2) 0.2079(2) 0.07520(14) 0.0564(7) Uani 1.00 1 d . . . C(27) C 0.1393(2) 0.2801(2) 0.06217(14) 0.0603(8) Uani 1.00 1 d . . . C(28) C 0.0722(2) 0.2743(2) 0.08761(13) 0.0539(7) Uani 1.00 1 d . . . C(29) C 0.06023(17) 0.1948(2) 0.12612(12) 0.0438(5) Uani 1.00 1 d . . . C(30) C 0.0000 0.2542(3) 0.2500 0.0450(8) Uani 1.00 2 d S . . C(31) C 0.0000 0.3648(3) 0.2500 0.0725(14) Uani 1.00 2 d S . . H(1) H -0.1599 0.2816 0.1331 0.095 Uiso 1.00 1 c R . . H(2) H -0.2465 0.2356 0.0542 0.114 Uiso 1.00 1 c R . . H(3) H -0.2526 0.0691 0.0237 0.110 Uiso 1.00 1 c R . . H(4) H -0.2017 -0.1135 0.0424 0.097 Uiso 1.00 1 c R . . H(5) H -0.1312 -0.2230 0.1034 0.086 Uiso 1.00 1 c R . . H(6) H -0.0771 -0.3249 0.1774 0.094 Uiso 1.00 1 c R . . H(7) H 0.0000 -0.4098 0.2500 0.108 Uiso 1.00 2 c R . . H(8) H 0.1071 -0.2088 0.1831 0.069 Uiso 1.00 1 c R . . H(9) H 0.0858 -0.3323 0.1099 0.085 Uiso 1.00 1 c R . . H(10) H 0.0539 -0.2861 0.0118 0.082 Uiso 1.00 1 c R . . H(11) H 0.0405 -0.1184 -0.0126 0.100 Uiso 1.00 1 c R . . H(12) H 0.0648 0.0065 0.0584 0.079 Uiso 1.00 1 c R . . H(13) H 0.2029 -0.1565 0.2298 0.084 Uiso 1.00 1 c R . . H(14) H 0.3119 -0.1666 0.2965 0.097 Uiso 1.00 1 c R . . H(15) H 0.3730 -0.0217 0.3331 0.079 Uiso 1.00 1 c R . . H(16) H 0.3209 0.1338 0.3062 0.079 Uiso 1.00 1 c R . . H(17) H 0.2087 0.1458 0.2437 0.069 Uiso 1.00 1 c R . . H(18) H 0.2227 0.0805 0.1232 0.057 Uiso 1.00 1 c R . . H(19) H 0.2406 0.2119 0.0574 0.068 Uiso 1.00 1 c R . . H(20) H 0.1471 0.3337 0.0357 0.072 Uiso 1.00 1 c R . . H(21) H 0.0343 0.3243 0.0789 0.065 Uiso 1.00 1 c R . . H(22) H 0.0136 0.1900 0.1427 0.053 Uiso 1.00 1 c R . . H(23) H -0.0523 0.3895 0.2454 0.087 Uiso 1.00 1 c R . . H(24) H 0.0262 0.3895 0.2171 0.087 Uiso 1.00 1 c R . . H(25) H 0.0261 0.3895 0.2876 0.087 Uiso 1.00 1 c R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ru(1) 0.03416(16) 0.02108(15) 0.03059(15) 0.0000 -0.00001(10) 0.0000 Cl(2) 0.1006(7) 0.0440(4) 0.0802(6) 0.0136(4) 0.0058(5) -0.0054(4) P(1) 0.0365(3) 0.0285(3) 0.0336(3) -0.0004(2) 0.0018(2) -0.0004(2) O(1) 0.177(4) 0.071(2) 0.120(3) 0.036(2) 0.023(2) 0.027(2) O(2) 0.311(10) 0.183(6) 0.153(5) 0.071(5) 0.101(6) 0.066(4) O(3) 0.289(8) 0.112(3) 0.166(4) -0.004(4) -0.061(5) -0.059(3) O(4) 0.174(6) 0.208(7) 0.244(8) 0.068(4) -0.070(6) -0.026(5) N(1) 0.0531(14) 0.0568(16) 0.0618(15) -0.0050(12) -0.0134(12) 0.0233(13) N(2) 0.0395(11) 0.0423(12) 0.0350(10) -0.0097(8) 0.0009(8) -0.0047(8) N(3) 0.0524(18) 0.0241(14) 0.0520(17) 0.0000 0.0150(14) 0.0000 N(4) 0.0446(15) 0.0274(14) 0.0355(14) 0.0000 0.0020(11) 0.0000 C(1) 0.066(2) 0.080(2) 0.086(2) -0.0000(19) -0.0131(19) 0.041(2) C(2) 0.080(2) 0.119(4) 0.080(2) 0.000(2) -0.020(2) 0.053(3) C(3) 0.073(2) 0.144(5) 0.051(2) -0.015(2) -0.0248(18) 0.027(2) C(4) 0.0562(19) 0.109(3) 0.0378(15) -0.0263(19) -0.0066(13) 0.0060(17) C(5) 0.0416(13) 0.0670(19) 0.0347(12) -0.0114(13) -0.0014(10) 0.0075(12) C(6) 0.077(2) 0.114(3) 0.0484(18) -0.036(2) -0.0065(17) -0.022(2) C(7) 0.072(2) 0.077(2) 0.066(2) -0.0313(19) 0.0095(18) -0.033(2) C(8) 0.0512(15) 0.0486(16) 0.0495(15) -0.0175(12) 0.0117(12) -0.0168(12) C(9) 0.0590(17) 0.0331(13) 0.0679(19) -0.0113(12) 0.0208(14) -0.0142(13) C(10) 0.096(2) 0.0342(16) 0.107(3) -0.0171(17) 0.027(2) -0.0210(19) C(11) 0.121(5) 0.024(2) 0.129(5) 0.0000 0.038(4) 0.0000 C(12) 0.0403(12) 0.0384(13) 0.0394(12) 0.0004(10) 0.0023(10) -0.0067(10) C(13) 0.069(2) 0.0453(16) 0.0537(17) 0.0067(14) -0.0095(14) -0.0087(13) C(14) 0.083(2) 0.0468(18) 0.078(2) 0.0149(16) -0.0163(19) -0.0214(17) C(15) 0.080(2) 0.062(2) 0.0581(19) 0.0077(18) -0.0116(16) -0.0262(16) C(16) 0.116(3) 0.076(2) 0.0491(18) 0.006(2) -0.024(2) -0.0147(18) C(17) 0.090(2) 0.0519(19) 0.0503(17) 0.0037(17) -0.0139(16) -0.0055(14) C(18) 0.0366(12) 0.0406(13) 0.0392(13) -0.0005(9) 0.0020(10) -0.0004(10) C(19) 0.0595(19) 0.0420(17) 0.101(2) -0.0007(14) -0.0276(19) 0.0015(18) C(20) 0.065(2) 0.060(2) 0.110(3) 0.0103(17) -0.032(2) 0.005(2) C(21) 0.0483(17) 0.077(2) 0.067(2) 0.0001(15) -0.0141(16) -0.0003(18) C(22) 0.066(2) 0.062(2) 0.064(2) -0.0128(16) -0.0177(16) -0.0085(17) C(23) 0.0629(19) 0.0437(16) 0.0608(18) -0.0012(13) -0.0154(15) -0.0060(14) C(24) 0.0465(13) 0.0338(12) 0.0345(11) -0.0052(10) 0.0029(10) 0.0011(9) C(25) 0.0508(15) 0.0451(15) 0.0468(14) -0.0045(11) 0.0086(11) 0.0008(12) C(26) 0.0634(18) 0.0587(19) 0.0483(15) -0.0185(15) 0.0109(13) 0.0040(14) C(27) 0.082(2) 0.0518(18) 0.0456(15) -0.0197(16) 0.0021(15) 0.0115(13) C(28) 0.072(2) 0.0408(15) 0.0459(15) 0.0001(13) -0.0083(14) 0.0062(12) C(29) 0.0515(15) 0.0402(14) 0.0388(12) -0.0009(11) 0.0013(11) 0.0004(10) C(30) 0.061(2) 0.0302(19) 0.0438(19) 0.0000 0.0060(17) 0.0000 C(31) 0.100(4) 0.030(2) 0.089(3) 0.0000 0.016(3) 0.0000 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Ru Ru -1.259 0.836 ; International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; C C 0.003 0.002 ; International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; H H 0.000 0.000 ; International Tables for Crystallography (1992, Vol. C, Table 6.1.1.4) ; P P 0.102 0.094 ; International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; N N 0.006 0.003 ; International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; O O 0.011 0.006 ; International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; Cl Cl 0.148 0.159 ; International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_publ_flag _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 P(1) Ru(1) P(1) 179.05(2) yes . . 2_555 P(1) Ru(1) N(2) 89.24(6) yes . . . P(1) Ru(1) N(2) 90.57(6) yes . . 2_555 P(1) Ru(1) N(3) 89.525(16) yes . . . P(1) Ru(1) N(4) 90.475(16) yes . . . P(1) Ru(1) N(2) 90.57(6) yes 2_555 . . P(1) Ru(1) N(2) 89.24(6) yes 2_555 . 2_555 P(1) Ru(1) N(3) 89.525(16) yes 2_555 . . P(1) Ru(1) N(4) 90.475(16) yes 2_555 . . N(2) Ru(1) N(2) 157.65(8) yes . . 2_555 N(2) Ru(1) N(3) 78.82(6) yes . . . N(2) Ru(1) N(4) 101.18(6) yes . . . N(2) Ru(1) N(3) 78.82(6) yes 2_555 . . N(2) Ru(1) N(4) 101.18(6) yes 2_555 . . N(3) Ru(1) N(4) 180.0000 yes . . . O(1) Cl(2) O(2) 105.4(3) yes . . . O(1) Cl(2) O(3) 118.9(3) yes . . . O(1) Cl(2) O(4) 113.0(3) yes . . . O(2) Cl(2) O(3) 112.2(4) yes . . . O(2) Cl(2) O(4) 93.5(5) yes . . . O(3) Cl(2) O(4) 110.9(4) yes . . . Ru(1) P(1) C(12) 113.67(9) yes . . . Ru(1) P(1) C(18) 111.09(9) yes . . . Ru(1) P(1) C(24) 120.15(9) yes . . . C(12) P(1) C(18) 107.48(12) yes . . . C(12) P(1) C(24) 100.58(12) yes . . . C(18) P(1) C(24) 102.53(12) yes . . . C(1) N(1) C(5) 117.5(3) yes . . . Ru(1) N(2) C(5) 129.10(19) yes . . . Ru(1) N(2) C(8) 112.67(17) yes . . . C(5) N(2) C(8) 118.2(2) yes . . . Ru(1) N(3) C(9) 118.47(15) yes . . . Ru(1) N(3) C(9) 118.47(15) yes . . 2_555 C(9) N(3) C(9) 123.1(2) yes . . 2_555 Ru(1) N(4) C(30) 180.0000 yes . . . N(1) C(1) C(2) 124.8(4) yes . . . C(1) C(2) C(3) 118.6(4) yes . . . C(2) C(3) C(4) 119.7(3) yes . . . C(3) C(4) C(5) 116.4(4) yes . . . C(3) C(4) C(6) 125.3(3) yes . . . C(5) C(4) C(6) 118.3(3) yes . . . N(1) C(5) N(2) 116.4(2) yes . . . N(1) C(5) C(4) 123.0(3) yes . . . N(2) C(5) C(4) 120.6(3) yes . . . C(4) C(6) C(7) 120.9(3) yes . . . C(6) C(7) C(8) 119.7(3) yes . . . N(2) C(8) C(7) 122.0(2) yes . . . N(2) C(8) C(9) 115.8(2) yes . . . C(7) C(8) C(9) 122.2(3) yes . . . N(3) C(9) C(8) 114.0(2) yes . . . N(3) C(9) C(10) 118.7(3) yes . . . C(8) C(9) C(10) 127.3(3) yes . . . C(9) C(10) C(11) 119.0(3) yes . . . C(10) C(11) C(10) 121.5(4) yes . . 2_555 P(1) C(12) C(13) 122.7(2) yes . . . P(1) C(12) C(17) 120.5(2) yes . . . C(13) C(12) C(17) 116.6(2) yes . . . C(12) C(13) C(14) 121.5(3) yes . . . C(13) C(14) C(15) 120.0(3) yes . . . C(14) C(15) C(16) 119.4(3) yes . . . C(15) C(16) C(17) 121.4(3) yes . . . C(12) C(17) C(16) 121.0(3) yes . . . P(1) C(18) C(19) 125.3(2) yes . . . P(1) C(18) C(23) 117.4(2) yes . . . C(19) C(18) C(23) 116.8(2) yes . . . C(18) C(19) C(20) 121.4(3) yes . . . C(19) C(20) C(21) 120.8(3) yes . . . C(20) C(21) C(22) 118.7(3) yes . . . C(21) C(22) C(23) 121.2(3) yes . . . C(18) C(23) C(22) 121.1(3) yes . . . P(1) C(24) C(25) 118.5(2) yes . . . P(1) C(24) C(29) 121.6(2) yes . . . C(25) C(24) C(29) 119.6(2) yes . . . C(24) C(25) C(26) 119.7(2) yes . . . C(25) C(26) C(27) 120.5(3) yes . . . C(26) C(27) C(28) 120.0(3) yes . . . C(27) C(28) C(29) 120.1(3) yes . . . C(24) C(29) C(28) 120.0(2) yes . . . N(4) C(30) C(31) 180.0000 yes . . . N(1) C(1) H(1) 117.6 no . . . C(2) C(1) H(1) 117.6 no . . . C(1) C(2) H(2) 120.7 no . . . C(3) C(2) H(2) 120.7 no . . . C(2) C(3) H(3) 120.1 no . . . C(4) C(3) H(3) 120.1 no . . . C(4) C(6) H(4) 119.6 no . . . C(7) C(6) H(4) 119.6 no . . . C(6) C(7) H(5) 120.1 no . . . C(8) C(7) H(5) 120.1 no . . . C(9) C(10) H(6) 120.5 no . . . C(11) C(10) H(6) 120.5 no . . . C(10) C(11) H(7) 119.2 no . . . C(10) C(11) H(7) 119.2 no 2_555 . . C(12) C(13) H(8) 119.2 no . . . C(14) C(13) H(8) 119.2 no . . . C(13) C(14) H(9) 120.0 no . . . C(15) C(14) H(9) 120.0 no . . . C(14) C(15) H(10) 120.3 no . . . C(16) C(15) H(10) 120.3 no . . . C(15) C(16) H(11) 119.3 no . . . C(17) C(16) H(11) 119.3 no . . . C(12) C(17) H(12) 119.5 no . . . C(16) C(17) H(12) 119.5 no . . . C(18) C(19) H(13) 119.3 no . . . C(20) C(19) H(13) 119.3 no . . . C(19) C(20) H(14) 119.6 no . . . C(21) C(20) H(14) 119.6 no . . . C(20) C(21) H(15) 120.7 no . . . C(22) C(21) H(15) 120.7 no . . . C(21) C(22) H(16) 119.4 no . . . C(23) C(22) H(16) 119.4 no . . . C(18) C(23) H(17) 119.4 no . . . C(22) C(23) H(17) 119.4 no . . . C(24) C(25) H(18) 120.1 no . . . C(26) C(25) H(18) 120.1 no . . . C(25) C(26) H(19) 119.8 no . . . C(27) C(26) H(19) 119.8 no . . . C(26) C(27) H(20) 120.0 no . . . C(28) C(27) H(20) 120.0 no . . . C(27) C(28) H(21) 119.9 no . . . C(29) C(28) H(21) 119.9 no . . . C(24) C(29) H(22) 120.0 no . . . C(28) C(29) H(22) 120.0 no . . . C(30) C(31) H(23) 109.5 no . . . C(30) C(31) H(23) 109.5 no . . 2_555 C(30) C(31) H(24) 109.5 no . . . C(30) C(31) H(24) 109.5 no . . 2_555 C(30) C(31) H(25) 109.5 no . . . C(30) C(31) H(25) 109.5 no . . 2_555 H(23) C(31) H(23) 141.1 no . . 2_555 H(23) C(31) H(24) 109.5 no . . . H(23) C(31) H(24) 56.3 no . . 2_555 H(23) C(31) H(25) 109.5 no . . . H(23) C(31) H(25) 56.3 no . . 2_555 H(23) C(31) H(24) 56.3 no 2_555 . . H(23) C(31) H(24) 109.5 no 2_555 . 2_555 H(23) C(31) H(25) 56.3 no 2_555 . . H(23) C(31) H(25) 109.5 no 2_555 . 2_555 H(24) C(31) H(24) 141.1 no . . 2_555 H(24) C(31) H(25) 109.5 no . . . H(24) C(31) H(25) 56.3 no . . 2_555 H(24) C(31) H(25) 56.3 no 2_555 . . H(24) C(31) H(25) 109.5 no 2_555 . 2_555 H(25) C(31) H(25) 141.1 no . . 2_555 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_publ_flag _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 Ru(1) P(1) 2.4306(7) yes . . Ru(1) P(1) 2.4306(7) yes . 2_555 Ru(1) N(2) 2.118(2) yes . . Ru(1) N(2) 2.118(2) yes . 2_555 Ru(1) N(3) 1.968(2) yes . . Ru(1) N(4) 2.051(2) yes . . Cl(2) O(1) 1.375(3) yes . . Cl(2) O(2) 1.436(8) yes . . Cl(2) O(3) 1.300(5) yes . . Cl(2) O(4) 1.379(7) yes . . P(1) C(12) 1.840(2) yes . . P(1) C(18) 1.837(2) yes . . P(1) C(24) 1.832(2) yes . . N(1) C(1) 1.325(5) yes . . N(1) C(5) 1.333(4) yes . . N(2) C(5) 1.395(3) yes . . N(2) C(8) 1.348(3) yes . . N(3) C(9) 1.359(3) yes . . N(3) C(9) 1.359(3) yes . 2_555 N(4) C(30) 1.123(4) yes . . C(1) C(2) 1.381(6) yes . . C(2) C(3) 1.348(8) yes . . C(3) C(4) 1.428(6) yes . . C(4) C(5) 1.420(4) yes . . C(4) C(6) 1.401(7) yes . . C(6) C(7) 1.335(6) yes . . C(7) C(8) 1.417(4) yes . . C(8) C(9) 1.456(4) yes . . C(9) C(10) 1.401(4) yes . . C(10) C(11) 1.375(4) yes . . C(12) C(13) 1.392(4) yes . . C(12) C(17) 1.389(4) yes . . C(13) C(14) 1.392(5) yes . . C(14) C(15) 1.365(5) yes . . C(15) C(16) 1.349(5) yes . . C(16) C(17) 1.383(5) yes . . C(18) C(19) 1.381(4) yes . . C(18) C(23) 1.383(4) yes . . C(19) C(20) 1.390(5) yes . . C(20) C(21) 1.358(5) yes . . C(21) C(22) 1.360(5) yes . . C(22) C(23) 1.387(4) yes . . C(24) C(25) 1.403(4) yes . . C(24) C(29) 1.386(3) yes . . C(25) C(26) 1.390(4) yes . . C(26) C(27) 1.382(5) yes . . C(27) C(28) 1.383(5) yes . . C(28) C(29) 1.399(4) yes . . C(30) C(31) 1.464(5) yes . . C(1) H(1) 0.950 no . . C(2) H(2) 0.950 no . . C(3) H(3) 0.950 no . . C(6) H(4) 0.950 no . . C(7) H(5) 0.950 no . . C(10) H(6) 0.950 no . . C(11) H(7) 0.931 no . . C(13) H(8) 0.950 no . . C(14) H(9) 0.950 no . . C(15) H(10) 0.950 no . . C(16) H(11) 0.950 no . . C(17) H(12) 0.950 no . . C(19) H(13) 0.950 no . . C(20) H(14) 0.950 no . . C(21) H(15) 0.950 no . . C(22) H(16) 0.950 no . . C(23) H(17) 0.950 no . . C(25) H(18) 0.950 no . . C(26) H(19) 0.950 no . . C(27) H(20) 0.950 no . . C(28) H(21) 0.950 no . . C(29) H(22) 0.950 no . . C(31) H(23) 0.980 no . . C(31) H(23) 0.980 no . 2_555 C(31) H(24) 0.980 no . . C(31) H(24) 0.980 no . 2_555 C(31) H(25) 0.980 no . . C(31) H(25) 0.980 no . 2_555 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 O(1) C(7) 3.465(5) . 5_555 O(1) C(25) 3.518(5) . . O(1) C(26) 3.409(5) . . O(1) C(27) 3.442(5) . 7_555 O(2) C(31) 3.598(7) . 5_545 O(3) C(1) 3.352(7) . 5_545 O(3) C(3) 3.541(7) . 3_555 O(3) C(15) 3.535(7) . 7_545 O(4) C(10) 3.532(8) . 5_555 O(4) C(31) 3.548(8) . 5_545 C(1) O(3) 3.352(7) . 5_455 C(3) O(3) 3.541(7) . 3_555 C(6) C(26) 3.583(6) . 5_445 C(7) O(1) 3.465(5) . 5_445 C(10) O(4) 3.532(8) . 5_445 C(15) O(3) 3.535(7) . 7_545 C(25) O(1) 3.518(5) . . C(26) O(1) 3.409(5) . . C(26) C(6) 3.583(6) . 5_555 C(27) O(1) 3.442(5) . 7_555 C(31) O(2) 3.598(7) . 5_455 C(31) O(2) 3.598(8) . 6_555 C(31) O(4) 3.548(8) . 5_455 C(31) O(4) 3.548(8) . 6_555 Cl(2) H(1) 3.223 . 5_545 Cl(2) H(3) 3.463 . 3_555 Cl(2) H(6) 3.080 . 5_555 Cl(2) H(18) 3.347 . . Cl(2) H(20) 3.588 . 7_555 Cl(2) H(21) 3.477 . 5_545 Cl(2) H(25) 3.355 . 6_545 O(1) H(3) 3.533 . 3_555 O(1) H(5) 2.517 . 5_555 O(1) H(6) 2.719 . 5_555 O(1) H(18) 2.939 . . O(1) H(19) 2.710 . . O(1) H(20) 2.591 . 7_555 O(2) H(1) 2.699 . 5_545 O(2) H(6) 2.839 . 5_555 O(2) H(7) 3.539 . 5_555 O(2) H(18) 2.776 . . O(2) H(23) 2.891 . 5_545 O(2) H(24) 3.428 . 5_545 O(2) H(25) 2.688 . 6_545 O(3) H(1) 2.769 . 5_545 O(3) H(2) 3.336 . 5_545 O(3) H(3) 2.648 . 3_555 O(3) H(10) 2.721 . 7_545 O(3) H(21) 3.095 . 5_545 O(4) H(6) 2.890 . 5_555 O(4) H(7) 3.309 . 5_555 O(4) H(9) 3.113 . 5_555 O(4) H(15) 3.002 . 2_655 O(4) H(21) 2.771 . 5_545 O(4) H(23) 3.355 . 5_545 O(4) H(24) 2.853 . 5_545 O(4) H(25) 2.646 . 6_545 C(2) H(2) 3.104 . 7_455 C(3) H(2) 3.442 . 7_455 C(3) H(11) 3.458 . 3_555 C(4) H(11) 3.370 . 3_555 C(5) H(11) 3.493 . 3_555 C(6) H(19) 3.548 . 3_555 C(6) H(19) 3.070 . 5_445 C(6) H(20) 3.403 . 5_445 C(7) H(19) 3.059 . 5_445 C(11) H(16) 3.577 . 5_445 C(11) H(16) 3.577 . 6_545 C(13) H(16) 2.949 . 6_545 C(14) H(2) 3.333 . 5_545 C(14) H(16) 2.938 . 6_545 C(15) H(2) 3.399 . 5_545 C(15) H(21) 3.280 . 3_555 C(16) H(12) 3.227 . 3_555 C(17) H(11) 3.267 . 3_555 C(20) H(17) 3.399 . 6_545 C(20) H(23) 3.011 . 5_545 C(20) H(24) 3.245 . 6_545 C(21) H(9) 3.359 . 6_555 C(21) H(23) 2.954 . 5_545 C(21) H(24) 2.987 . 6_545 C(22) H(8) 3.366 . 6_555 C(22) H(9) 3.148 . 6_555 C(23) H(14) 3.577 . 6_555 C(24) H(14) 3.321 . 6_555 C(25) H(14) 3.372 . 6_555 C(26) H(4) 2.962 . 3_555 C(26) H(4) 3.137 . 5_555 C(26) H(5) 3.220 . 5_555 C(26) H(14) 3.366 . 6_555 C(26) H(19) 3.504 . 7_555 C(27) H(4) 3.511 . 3_555 C(27) H(4) 3.235 . 5_555 C(27) H(14) 3.304 . 6_555 C(27) H(15) 3.565 . 6_555 C(28) H(10) 3.001 . 3_555 C(28) H(11) 3.226 . 3_555 C(28) H(14) 3.249 . 6_555 C(28) H(15) 3.331 . 6_555 C(29) H(11) 3.136 . 3_555 C(29) H(14) 3.274 . 6_555 C(31) H(7) 2.985 . 1_565 C(31) H(15) 3.445 . 5_455 C(31) H(15) 3.445 . 6_555 H(1) Cl(2) 3.223 . 5_455 H(1) O(2) 2.699 . 5_455 H(1) O(3) 2.769 . 5_455 H(1) H(13) 3.556 . 5_455 H(2) O(3) 3.336 . 5_455 H(2) C(2) 3.104 . 7_455 H(2) C(3) 3.442 . 7_455 H(2) C(14) 3.333 . 5_455 H(2) C(15) 3.399 . 5_455 H(2) H(2) 2.479 . 7_455 H(2) H(3) 3.132 . 7_455 H(2) H(9) 3.484 . 5_455 H(2) H(10) 3.581 . 5_455 H(3) Cl(2) 3.463 . 3_555 H(3) O(1) 3.533 . 3_555 H(3) O(3) 2.648 . 3_555 H(3) H(2) 3.132 . 7_455 H(4) C(26) 2.962 . 3_555 H(4) C(26) 3.137 . 5_445 H(4) C(27) 3.511 . 3_555 H(4) C(27) 3.235 . 5_445 H(4) H(19) 2.637 . 3_555 H(4) H(19) 2.568 . 5_445 H(4) H(20) 2.764 . 5_445 H(5) O(1) 2.517 . 5_445 H(5) C(26) 3.220 . 5_445 H(5) H(19) 2.548 . 5_445 H(5) H(20) 3.465 . 3_555 H(6) Cl(2) 3.080 . 5_445 H(6) O(1) 2.719 . 5_445 H(6) O(2) 2.839 . 5_445 H(6) O(4) 2.890 . 5_445 H(7) O(2) 3.539 . 5_445 H(7) O(2) 3.539 . 6_545 H(7) O(4) 3.309 . 5_445 H(7) O(4) 3.309 . 6_545 H(7) C(31) 2.985 . 1_545 H(7) H(15) 3.436 . 5_445 H(7) H(15) 3.436 . 6_545 H(7) H(23) 2.814 . 1_545 H(7) H(23) 2.814 . 2_545 H(7) H(24) 2.814 . 1_545 H(7) H(24) 2.814 . 2_545 H(7) H(25) 2.814 . 1_545 H(7) H(25) 2.814 . 2_545 H(8) C(22) 3.366 . 6_545 H(8) H(16) 2.443 . 6_545 H(9) O(4) 3.113 . 5_445 H(9) C(21) 3.359 . 6_545 H(9) C(22) 3.148 . 6_545 H(9) H(2) 3.484 . 5_545 H(9) H(15) 2.878 . 6_545 H(9) H(16) 2.421 . 6_545 H(10) O(3) 2.721 . 7_545 H(10) C(28) 3.001 . 3_555 H(10) H(2) 3.581 . 5_545 H(10) H(21) 2.496 . 3_555 H(11) C(3) 3.458 . 3_555 H(11) C(4) 3.370 . 3_555 H(11) C(5) 3.493 . 3_555 H(11) C(17) 3.267 . 3_555 H(11) C(28) 3.226 . 3_555 H(11) C(29) 3.136 . 3_555 H(11) H(11) 3.525 . 3_555 H(11) H(12) 2.519 . 3_555 H(11) H(21) 3.319 . 3_555 H(11) H(22) 3.148 . 3_555 H(12) C(16) 3.227 . 3_555 H(12) H(11) 2.519 . 3_555 H(12) H(12) 3.315 . 3_555 H(13) H(1) 3.556 . 5_545 H(13) H(16) 2.912 . 6_545 H(13) H(17) 3.078 . 6_545 H(14) C(23) 3.577 . 6_545 H(14) C(24) 3.321 . 6_545 H(14) C(25) 3.372 . 6_545 H(14) C(26) 3.366 . 6_545 H(14) C(27) 3.304 . 6_545 H(14) C(28) 3.249 . 6_545 H(14) C(29) 3.274 . 6_545 H(14) H(17) 2.658 . 6_545 H(14) H(23) 2.890 . 5_545 H(14) H(24) 3.022 . 6_545 H(15) O(4) 3.002 . 2_655 H(15) C(27) 3.565 . 6_545 H(15) C(28) 3.331 . 6_545 H(15) C(31) 3.445 . 5_545 H(15) H(7) 3.436 . 5_555 H(15) H(9) 2.878 . 6_555 H(15) H(20) 3.592 . 6_545 H(15) H(21) 3.182 . 6_545 H(15) H(23) 2.775 . 5_545 H(15) H(24) 2.520 . 6_545 H(15) H(25) 3.240 . 5_545 H(16) C(11) 3.577 . 5_555 H(16) C(13) 2.949 . 6_555 H(16) C(14) 2.938 . 6_555 H(16) H(8) 2.443 . 6_555 H(16) H(9) 2.421 . 6_555 H(16) H(13) 2.912 . 6_555 H(17) C(20) 3.399 . 6_555 H(17) H(13) 3.078 . 6_555 H(17) H(14) 2.658 . 6_555 H(18) Cl(2) 3.347 . . H(18) O(1) 2.939 . . H(18) O(2) 2.776 . . H(19) O(1) 2.710 . . H(19) C(6) 3.548 . 3_555 H(19) C(6) 3.070 . 5_555 H(19) C(7) 3.059 . 5_555 H(19) C(26) 3.504 . 7_555 H(19) H(4) 2.637 . 3_555 H(19) H(4) 2.568 . 5_555 H(19) H(5) 2.548 . 5_555 H(19) H(19) 2.849 . 7_555 H(19) H(20) 3.125 . 7_555 H(20) Cl(2) 3.588 . 7_555 H(20) O(1) 2.591 . 7_555 H(20) C(6) 3.403 . 5_555 H(20) H(4) 2.764 . 5_555 H(20) H(5) 3.465 . 3_555 H(20) H(15) 3.592 . 6_555 H(20) H(19) 3.125 . 7_555 H(21) Cl(2) 3.477 . 5_455 H(21) O(3) 3.095 . 5_455 H(21) O(4) 2.771 . 5_455 H(21) C(15) 3.280 . 3_555 H(21) H(10) 2.496 . 3_555 H(21) H(11) 3.319 . 3_555 H(21) H(15) 3.182 . 6_555 H(22) H(11) 3.148 . 3_555 H(23) O(2) 2.891 . 5_455 H(23) O(4) 3.355 . 5_455 H(23) C(20) 3.011 . 5_455 H(23) C(21) 2.954 . 5_455 H(23) H(7) 2.814 . 1_565 H(23) H(14) 2.890 . 5_455 H(23) H(15) 2.775 . 5_455 H(24) O(2) 3.428 . 5_455 H(24) O(4) 2.853 . 5_455 H(24) C(20) 3.245 . 6_555 H(24) C(21) 2.987 . 6_555 H(24) H(7) 2.814 . 1_565 H(24) H(14) 3.022 . 6_555 H(24) H(15) 2.520 . 6_555 H(25) Cl(2) 3.355 . 6_555 H(25) O(2) 2.688 . 6_555 H(25) O(4) 2.646 . 6_555 H(25) H(7) 2.814 . 1_565 H(25) H(15) 3.240 . 5_455 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 P(1) Ru(1) P(1) C(12) 38.8(13) . . 2_555 2_555 P(1) Ru(1) P(1) C(18) -82.6(13) . . 2_555 2_555 P(1) Ru(1) P(1) C(24) 157.9(12) . . 2_555 2_555 P(1) Ru(1) P(1) C(12) 38.8(13) 2_555 . . . P(1) Ru(1) P(1) C(18) -82.6(13) 2_555 . . . P(1) Ru(1) P(1) C(24) 157.9(12) 2_555 . . . P(1) Ru(1) N(2) C(5) -95.1(2) . . . . P(1) Ru(1) N(2) C(8) 85.5(2) . . . . N(2) Ru(1) P(1) C(12) -40.02(11) . . . . N(2) Ru(1) P(1) C(18) -161.39(11) . . . . N(2) Ru(1) P(1) C(24) 79.08(11) . . . . P(1) Ru(1) N(2) C(5) 85.8(2) . . 2_555 2_555 P(1) Ru(1) N(2) C(8) -93.5(2) . . 2_555 2_555 N(2) Ru(1) P(1) C(12) 117.63(11) 2_555 . . . N(2) Ru(1) P(1) C(18) -3.74(11) 2_555 . . . N(2) Ru(1) P(1) C(24) -123.27(11) 2_555 . . . P(1) Ru(1) N(3) C(9) -87.42(16) . . . . P(1) Ru(1) N(3) C(9) 92.58(16) . . . 2_555 N(3) Ru(1) P(1) C(12) 38.81(9) . . . . N(3) Ru(1) P(1) C(18) -82.56(9) . . . . N(3) Ru(1) P(1) C(24) 157.91(9) . . . . N(4) Ru(1) P(1) C(12) -141.19(9) . . . . N(4) Ru(1) P(1) C(18) 97.44(9) . . . . N(4) Ru(1) P(1) C(24) -22.09(9) . . . . P(1) Ru(1) N(2) C(5) 85.8(2) 2_555 . . . P(1) Ru(1) N(2) C(8) -93.5(2) 2_555 . . . N(2) Ru(1) P(1) C(12) 117.63(11) . . 2_555 2_555 N(2) Ru(1) P(1) C(18) -3.74(11) . . 2_555 2_555 N(2) Ru(1) P(1) C(24) -123.27(11) . . 2_555 2_555 P(1) Ru(1) N(2) C(5) -95.1(2) 2_555 . 2_555 2_555 P(1) Ru(1) N(2) C(8) 85.5(2) 2_555 . 2_555 2_555 N(2) Ru(1) P(1) C(12) -40.02(11) 2_555 . 2_555 2_555 N(2) Ru(1) P(1) C(18) -161.39(11) 2_555 . 2_555 2_555 N(2) Ru(1) P(1) C(24) 79.08(11) 2_555 . 2_555 2_555 P(1) Ru(1) N(3) C(9) 92.58(16) 2_555 . . . P(1) Ru(1) N(3) C(9) -87.42(16) 2_555 . . 2_555 N(3) Ru(1) P(1) C(12) 38.81(9) . . 2_555 2_555 N(3) Ru(1) P(1) C(18) -82.56(9) . . 2_555 2_555 N(3) Ru(1) P(1) C(24) 157.91(9) . . 2_555 2_555 N(4) Ru(1) P(1) C(12) -141.19(9) . . 2_555 2_555 N(4) Ru(1) P(1) C(18) 97.44(9) . . 2_555 2_555 N(4) Ru(1) P(1) C(24) -22.09(9) . . 2_555 2_555 N(2) Ru(1) N(2) C(5) 175.2(2) . . 2_555 2_555 N(2) Ru(1) N(2) C(8) -4.1(3) . . 2_555 2_555 N(2) Ru(1) N(2) C(5) 175.2(2) 2_555 . . . N(2) Ru(1) N(2) C(8) -4.1(3) 2_555 . . . N(2) Ru(1) N(3) C(9) 1.91(17) . . . . N(2) Ru(1) N(3) C(9) -178.09(17) . . . 2_555 N(3) Ru(1) N(2) C(5) 175.2(2) . . . . N(3) Ru(1) N(2) C(8) -4.13(19) . . . . N(4) Ru(1) N(2) C(5) -4.8(2) . . . . N(4) Ru(1) N(2) C(8) 175.87(19) . . . . N(2) Ru(1) N(3) C(9) -178.09(17) 2_555 . . . N(2) Ru(1) N(3) C(9) 1.91(17) 2_555 . . 2_555 N(3) Ru(1) N(2) C(5) 175.2(2) . . 2_555 2_555 N(3) Ru(1) N(2) C(8) -4.13(19) . . 2_555 2_555 N(4) Ru(1) N(2) C(5) -4.8(2) . . 2_555 2_555 N(4) Ru(1) N(2) C(8) 175.87(19) . . 2_555 2_555 Ru(1) P(1) C(12) C(13) -65.8(2) . . . . Ru(1) P(1) C(12) C(17) 107.8(2) . . . . Ru(1) P(1) C(18) C(19) 86.2(3) . . . . Ru(1) P(1) C(18) C(23) -85.2(2) . . . . Ru(1) P(1) C(24) C(25) 165.78(17) . . . . Ru(1) P(1) C(24) C(29) -20.3(2) . . . . C(12) P(1) C(18) C(19) -38.8(3) . . . . C(12) P(1) C(18) C(23) 149.9(2) . . . . C(18) P(1) C(12) C(13) 57.5(2) . . . . C(18) P(1) C(12) C(17) -128.9(2) . . . . C(12) P(1) C(24) C(25) -68.7(2) . . . . C(12) P(1) C(24) C(29) 105.2(2) . . . . C(24) P(1) C(12) C(13) 164.4(2) . . . . C(24) P(1) C(12) C(17) -22.0(2) . . . . C(18) P(1) C(24) C(25) 42.1(2) . . . . C(18) P(1) C(24) C(29) -144.0(2) . . . . C(24) P(1) C(18) C(19) -144.3(3) . . . . C(24) P(1) C(18) C(23) 44.4(2) . . . . C(1) N(1) C(5) N(2) -176.9(3) . . . . C(1) N(1) C(5) C(4) 1.9(4) . . . . C(5) N(1) C(1) C(2) 0.4(6) . . . . Ru(1) N(2) C(5) N(1) -3.0(3) . . . . Ru(1) N(2) C(5) C(4) 178.2(2) . . . . Ru(1) N(2) C(8) C(7) -174.5(2) . . . . Ru(1) N(2) C(8) C(9) 5.6(3) . . . . C(5) N(2) C(8) C(7) 6.1(4) . . . . C(5) N(2) C(8) C(9) -173.8(2) . . . . C(8) N(2) C(5) N(1) 176.3(2) . . . . C(8) N(2) C(5) C(4) -2.5(4) . . . . Ru(1) N(3) C(9) C(8) 0.5(3) . . . . Ru(1) N(3) C(9) C(10) -178.6(2) . . . . Ru(1) N(3) C(9) C(8) 0.5(3) . . 2_555 2_555 Ru(1) N(3) C(9) C(10) -178.6(2) . . 2_555 2_555 C(9) N(3) C(9) C(8) -179.5(2) . . 2_555 2_555 C(9) N(3) C(9) C(10) 1.4(4) . . 2_555 2_555 C(9) N(3) C(9) C(8) -179.5(2) 2_555 . . . C(9) N(3) C(9) C(10) 1.4(4) 2_555 . . . N(1) C(1) C(2) C(3) -2.3(7) . . . . C(1) C(2) C(3) C(4) 2.0(7) . . . . C(2) C(3) C(4) C(5) 0.0(5) . . . . C(2) C(3) C(4) C(6) 179.1(4) . . . . C(3) C(4) C(5) N(1) -2.0(5) . . . . C(3) C(4) C(5) N(2) 176.6(3) . . . . C(3) C(4) C(6) C(7) -175.0(4) . . . . C(5) C(4) C(6) C(7) 4.1(6) . . . . C(6) C(4) C(5) N(1) 178.8(3) . . . . C(6) C(4) C(5) N(2) -2.5(5) . . . . C(4) C(6) C(7) C(8) -0.7(6) . . . . C(6) C(7) C(8) N(2) -4.7(5) . . . . C(6) C(7) C(8) C(9) 175.2(3) . . . . N(2) C(8) C(9) N(3) -4.2(4) . . . . N(2) C(8) C(9) C(10) 174.8(3) . . . . C(7) C(8) C(9) N(3) 175.9(2) . . . . C(7) C(8) C(9) C(10) -5.1(5) . . . . N(3) C(9) C(10) C(11) -2.8(5) . . . . C(8) C(9) C(10) C(11) 178.3(3) . . . . C(9) C(10) C(11) C(10) 1.4(5) . . . 2_555 P(1) C(12) C(13) C(14) 175.7(2) . . . . P(1) C(12) C(17) C(16) -174.8(3) . . . . C(13) C(12) C(17) C(16) -0.9(5) . . . . C(17) C(12) C(13) C(14) 1.9(5) . . . . C(12) C(13) C(14) C(15) -1.1(5) . . . . C(13) C(14) C(15) C(16) -0.8(6) . . . . C(14) C(15) C(16) C(17) 1.9(6) . . . . C(15) C(16) C(17) C(12) -1.0(6) . . . . P(1) C(18) C(19) C(20) -171.2(3) . . . . P(1) C(18) C(23) C(22) 173.7(2) . . . . C(19) C(18) C(23) C(22) 1.5(5) . . . . C(23) C(18) C(19) C(20) 0.3(4) . . . . C(18) C(19) C(20) C(21) -1.9(7) . . . . C(19) C(20) C(21) C(22) 1.7(6) . . . . C(20) C(21) C(22) C(23) 0.1(4) . . . . C(21) C(22) C(23) C(18) -1.8(5) . . . . P(1) C(24) C(25) C(26) 174.6(2) . . . . P(1) C(24) C(29) C(28) -175.5(2) . . . . C(25) C(24) C(29) C(28) -1.6(3) . . . . C(29) C(24) C(25) C(26) 0.5(4) . . . . C(24) C(25) C(26) C(27) 0.5(4) . . . . C(25) C(26) C(27) C(28) -0.5(4) . . . . C(26) C(27) C(28) C(29) -0.6(4) . . . . C(27) C(28) C(29) C(24) 1.7(4) . . . .