data_wy0937wm _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C30 H56 Cl2 Cu2 N12 O11 Ru' _chemical_formula_weight 1059.92 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cu' 'Cu' 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ru' 'Ru' -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 11.006(2) _cell_length_b 13.471(3) _cell_length_c 16.514(3) _cell_angle_alpha 93.792(3) _cell_angle_beta 94.251(4) _cell_angle_gamma 112.956(4) _cell_volume 2236.2(8) _cell_formula_units_Z 2 _cell_measurement_temperature 273(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description block _exptl_crystal_colour 'dark-green' _exptl_crystal_size_max 0.28 _exptl_crystal_size_mid 0.18 _exptl_crystal_size_min 0.15 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.574 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1088 _exptl_absorpt_coefficient_mu 1.460 _exptl_absorpt_correction_type SADABS _exptl_absorpt_correction_T_min 0.6849 _exptl_absorpt_correction_T_max 1.0000 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 273(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Smart CCD' _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 10303 _diffrn_reflns_av_R_equivalents 0.0407 _diffrn_reflns_av_sigmaI/netI 0.0977 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_theta_min 1.96 _diffrn_reflns_theta_max 25.00 _reflns_number_total 7508 _reflns_number_gt 5218 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction SAINT _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.1041P)^2^+18.2214P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 7508 _refine_ls_number_parameters 508 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1060 _refine_ls_R_factor_gt 0.0723 _refine_ls_wR_factor_ref 0.1959 _refine_ls_wR_factor_gt 0.1750 _refine_ls_goodness_of_fit_ref 0.896 _refine_ls_restrained_S_all 0.896 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group C1 C 0.3163(8) 0.4775(6) 0.2019(5) 0.0299(18) Uani 1 1 d . . . H1A H 0.3240 0.5066 0.1521 0.036 Uiso 1 1 calc R . . C2 C 0.3288(10) 0.5436(7) 0.2705(6) 0.043(2) Uani 1 1 d . . . H2A H 0.3454 0.6161 0.2664 0.051 Uiso 1 1 calc R . . C3 C 0.3172(10) 0.5045(8) 0.3471(6) 0.042(2) Uani 1 1 d . . . C4 C 0.2943(11) 0.3963(7) 0.3478(6) 0.045(2) Uani 1 1 d . . . H4A H 0.2850 0.3660 0.3971 0.054 Uiso 1 1 calc R . . C5 C 0.2847(9) 0.3318(6) 0.2771(5) 0.0306(19) Uani 1 1 d . . . C6 C 0.2650(9) 0.2157(6) 0.2746(5) 0.0307(19) Uani 1 1 d . . . C7 C 0.2498(10) 0.1603(7) 0.3435(5) 0.040(2) Uani 1 1 d . . . H7A H 0.2509 0.1959 0.3939 0.048 Uiso 1 1 calc R . . C8 C 0.2329(9) 0.0514(7) 0.3384(5) 0.037(2) Uani 1 1 d . . . C9 C 0.2266(9) 0.0032(7) 0.2604(5) 0.037(2) Uani 1 1 d . . . H9A H 0.2124 -0.0697 0.2529 0.045 Uiso 1 1 calc R . . C10 C 0.2411(8) 0.0619(6) 0.1939(5) 0.0308(19) Uani 1 1 d . . . H10A H 0.2361 0.0269 0.1426 0.037 Uiso 1 1 calc R . . C11 C 0.3197(12) 0.5768(8) 0.4240(6) 0.054(3) Uani 1 1 d . . . C12 C 0.2133(14) 0.6212(10) 0.4119(7) 0.074(4) Uani 1 1 d . . . H12A H 0.2236 0.6573 0.3631 0.112 Uiso 1 1 calc R . . H12B H 0.2215 0.6716 0.4580 0.112 Uiso 1 1 calc R . . H12C H 0.1273 0.5626 0.4070 0.112 Uiso 1 1 calc R . . C13 C 0.4560(15) 0.6733(11) 0.4339(9) 0.090(5) Uani 1 1 d . . . H13A H 0.4670 0.7101 0.3855 0.135 Uiso 1 1 calc R . . H13B H 0.5251 0.6471 0.4425 0.135 Uiso 1 1 calc R . . H13C H 0.4609 0.7226 0.4800 0.135 Uiso 1 1 calc R . . C14 C 0.3010(18) 0.5201(10) 0.5008(7) 0.095(5) Uani 1 1 d . . . H14A H 0.3028 0.5695 0.5460 0.142 Uiso 1 1 calc R . . H14B H 0.3713 0.4957 0.5113 0.142 Uiso 1 1 calc R . . H14C H 0.2172 0.4589 0.4940 0.142 Uiso 1 1 calc R . . C15 C 0.2215(12) -0.0126(8) 0.4114(6) 0.052(3) Uani 1 1 d . . . C16 C 0.211(2) 0.0486(11) 0.4889(7) 0.118(7) Uani 1 1 d . . . H16A H 0.2865 0.1162 0.4995 0.176 Uiso 1 1 calc R . . H16B H 0.2073 0.0061 0.5338 0.176 Uiso 1 1 calc R . . H16C H 0.1313 0.0622 0.4827 0.176 Uiso 1 1 calc R . . C17 C 0.3419(15) -0.0407(14) 0.4209(10) 0.105(6) Uani 1 1 d . . . H17A H 0.4208 0.0247 0.4309 0.158 Uiso 1 1 calc R . . H17B H 0.3453 -0.0815 0.3718 0.158 Uiso 1 1 calc R . . H17C H 0.3359 -0.0833 0.4660 0.158 Uiso 1 1 calc R . . C18 C 0.0985(13) -0.1227(10) 0.3958(8) 0.081(4) Uani 1 1 d . . . H18A H 0.0189 -0.1094 0.3902 0.121 Uiso 1 1 calc R . . H18B H 0.0967 -0.1645 0.4409 0.121 Uiso 1 1 calc R . . H18C H 0.1042 -0.1621 0.3466 0.121 Uiso 1 1 calc R . . C19 C 0.2692(8) 0.3587(6) 0.0171(5) 0.0291(18) Uani 1 1 d . . . C20 C 0.0392(11) 0.5767(9) -0.1354(7) 0.056(3) Uani 1 1 d . . . H20A H 0.0935 0.6530 -0.1369 0.067 Uiso 1 1 calc R . . H20B H -0.0466 0.5700 -0.1197 0.067 Uiso 1 1 calc R . . C21 C 0.0221(10) 0.5171(9) -0.2176(6) 0.050(3) Uani 1 1 d . . . H21A H -0.0447 0.4439 -0.2194 0.060 Uiso 1 1 calc R . . H21B H -0.0058 0.5537 -0.2592 0.060 Uiso 1 1 calc R . . C22 C 0.1466(13) 0.4306(11) -0.2970(7) 0.068(3) Uani 1 1 d . . . H22A H 0.1365 0.4545 -0.3503 0.081 Uiso 1 1 calc R . . H22B H 0.0710 0.3636 -0.2932 0.081 Uiso 1 1 calc R . . C23 C 0.2719(16) 0.4121(13) -0.2868(7) 0.087(4) Uani 1 1 d . . . H23A H 0.2642 0.3498 -0.3231 0.104 Uiso 1 1 calc R . . H23B H 0.3458 0.4749 -0.3002 0.104 Uiso 1 1 calc R . . C24 C 0.5283(8) 0.6797(6) -0.1079(5) 0.0261(18) Uani 1 1 d . . . C25 C 0.0678(9) 0.1972(6) 0.0976(5) 0.0303(19) Uani 1 1 d . . . C26 C -0.4604(10) 0.0684(10) 0.1110(9) 0.070(4) Uani 1 1 d . . . H26A H -0.5112 0.1133 0.1107 0.084 Uiso 1 1 calc R . . H26B H -0.5017 0.0089 0.0682 0.084 Uiso 1 1 calc R . . C27 C -0.4590(11) 0.0264(9) 0.1899(8) 0.061(3) Uani 1 1 d . . . H27A H -0.5482 -0.0210 0.1992 0.073 Uiso 1 1 calc R . . H27B H -0.4249 0.0855 0.2333 0.073 Uiso 1 1 calc R . . C28 C -0.3327(15) -0.0565(14) 0.2710(9) 0.091(5) Uani 1 1 d . . . H28A H -0.3199 0.0042 0.3105 0.109 Uiso 1 1 calc R . . H28B H -0.4027 -0.1203 0.2866 0.109 Uiso 1 1 calc R . . C29 C -0.2173(14) -0.0732(12) 0.2715(9) 0.084(4) Uani 1 1 d . . . H29A H -0.2373 -0.1455 0.2457 0.100 Uiso 1 1 calc R . . H29B H -0.1816 -0.0696 0.3276 0.100 Uiso 1 1 calc R . . C30 C -0.2573(9) -0.1471(6) -0.0135(5) 0.0307(19) Uani 1 1 d . . . Cl1 Cl 0.8634(5) 0.2497(3) 0.3613(2) 0.0964(13) Uani 1 1 d . . . Cl2 Cl 0.7762(3) 0.25698(19) 0.87678(18) 0.0534(7) Uani 1 1 d . . . Cu1 Cu 0.23780(10) 0.48809(8) -0.12626(6) 0.0306(3) Uani 1 1 d . . . Cu2 Cu -0.21022(10) 0.05082(9) 0.13411(7) 0.0347(3) Uani 1 1 d . . . N1 N 0.2929(6) 0.3703(5) 0.2027(4) 0.0259(15) Uani 1 1 d . . . N2 N 0.2620(6) 0.1677(5) 0.1998(4) 0.0218(14) Uani 1 1 d . . . N3 N 0.2672(8) 0.4198(6) -0.0303(5) 0.0396(18) Uani 1 1 d . . . N4 N 0.1036(8) 0.5309(7) -0.0753(5) 0.046(2) Uani 1 1 d . . . H4B H 0.0418 0.4725 -0.0575 0.055 Uiso 1 1 calc R . . H4C H 0.1437 0.5804 -0.0321 0.055 Uiso 1 1 calc R . . N5 N 0.1520(8) 0.5148(6) -0.2318(5) 0.0422(19) Uani 1 1 d . . . H5A H 0.2052 0.5809 -0.2457 0.051 Uiso 1 1 calc R . . N6 N 0.2948(11) 0.3932(9) -0.2020(6) 0.066(3) Uani 1 1 d . . . H6A H 0.3815 0.4083 -0.1892 0.079 Uiso 1 1 calc R . . H6B H 0.2484 0.3230 -0.1957 0.079 Uiso 1 1 calc R . . N7 N 0.4112(7) 0.6393(6) -0.1145(5) 0.0436(19) Uani 1 1 d . . . N8 N -0.0427(7) 0.1535(6) 0.1033(5) 0.0353(17) Uani 1 1 d . . . N9 N -0.3224(8) 0.1332(6) 0.0961(6) 0.053(2) Uani 1 1 d . . . H9B H -0.2927 0.1992 0.1243 0.063 Uiso 1 1 calc R . . H9C H -0.3178 0.1416 0.0427 0.063 Uiso 1 1 calc R . . N10 N -0.3731(8) -0.0339(7) 0.1885(5) 0.047(2) Uani 1 1 d . . . H10B H -0.4183 -0.0984 0.1576 0.056 Uiso 1 1 calc R . . N11 N -0.1143(9) 0.0074(7) 0.2284(5) 0.051(2) Uani 1 1 d . . . H11A H -0.0603 -0.0220 0.2087 0.062 Uiso 1 1 calc R . . H11B H -0.0649 0.0661 0.2632 0.062 Uiso 1 1 calc R . . N12 N -0.2496(7) -0.0784(6) 0.0368(5) 0.0381(18) Uani 1 1 d . . . O1 O 0.9354(16) 0.3576(9) 0.3983(7) 0.148(6) Uani 1 1 d . . . O2 O 0.8305(18) 0.2406(10) 0.2772(7) 0.167(7) Uani 1 1 d . . . O3 O 0.7630(16) 0.1934(10) 0.4017(7) 0.143(6) Uani 1 1 d . . . O4 O 0.9521(19) 0.2050(19) 0.3795(12) 0.211(9) Uani 1 1 d . . . O5 O 0.7329(15) 0.2352(8) 0.7940(6) 0.129(5) Uani 1 1 d . . . O6 O 0.7567(10) 0.3482(8) 0.9083(6) 0.090(3) Uani 1 1 d . . . O7 O 0.9129(11) 0.2876(10) 0.8891(13) 0.189(9) Uani 1 1 d . . . O8 O 0.7158(13) 0.1632(9) 0.9116(6) 0.126(5) Uani 1 1 d . . . O9 O 0.617(5) 0.301(4) 0.313(3) 0.54(3) Uiso 1 1 d . . . O10 O 0.0724(9) 0.1755(8) 0.8569(6) 0.083(3) Uiso 1 1 d . . . O11 O 0.4658(11) 0.2881(9) 0.8865(6) 0.099(3) Uiso 1 1 d . . . Ru1 Ru 0.27127(6) 0.26097(5) 0.10054(4) 0.02059(19) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.041(5) 0.019(4) 0.034(5) 0.010(3) 0.008(4) 0.014(4) C2 0.060(6) 0.014(4) 0.056(6) -0.010(4) -0.014(5) 0.022(4) C3 0.053(6) 0.041(5) 0.036(5) -0.005(4) 0.000(4) 0.027(5) C4 0.078(7) 0.032(5) 0.031(5) 0.001(4) 0.004(5) 0.028(5) C5 0.057(6) 0.016(4) 0.024(4) 0.001(3) 0.001(4) 0.021(4) C6 0.044(5) 0.019(4) 0.032(5) -0.006(3) -0.001(4) 0.018(4) C7 0.070(7) 0.022(4) 0.035(5) 0.005(4) 0.015(5) 0.023(4) C8 0.049(6) 0.031(5) 0.036(5) 0.005(4) 0.006(4) 0.021(4) C9 0.055(6) 0.021(4) 0.044(5) 0.008(4) 0.015(4) 0.022(4) C10 0.038(5) 0.022(4) 0.037(5) -0.001(3) 0.005(4) 0.017(4) C11 0.083(8) 0.042(6) 0.045(6) -0.004(5) 0.004(5) 0.036(6) C12 0.114(11) 0.071(8) 0.061(8) -0.005(6) 0.015(7) 0.063(8) C13 0.116(12) 0.058(8) 0.073(9) -0.014(7) 0.001(8) 0.016(8) C14 0.204(18) 0.062(8) 0.037(6) -0.010(6) 0.012(8) 0.075(10) C15 0.088(8) 0.033(5) 0.042(6) 0.014(4) 0.002(5) 0.032(5) C16 0.26(2) 0.054(8) 0.041(7) 0.020(6) 0.037(10) 0.059(11) C17 0.093(11) 0.122(14) 0.114(13) 0.065(11) -0.004(9) 0.052(10) C18 0.081(9) 0.059(8) 0.077(9) 0.023(7) 0.014(7) -0.004(7) C19 0.021(4) 0.023(4) 0.035(5) -0.006(4) 0.002(3) 0.002(3) C20 0.046(6) 0.045(6) 0.089(8) 0.002(6) 0.006(6) 0.032(5) C21 0.042(6) 0.052(6) 0.055(6) 0.011(5) -0.011(5) 0.021(5) C22 0.086(9) 0.087(9) 0.038(6) -0.007(6) 0.002(6) 0.046(8) C23 0.120(12) 0.113(12) 0.047(7) 0.007(7) 0.026(7) 0.065(10) C24 0.036(5) 0.008(3) 0.030(4) 0.001(3) 0.002(3) 0.004(3) C25 0.043(6) 0.019(4) 0.034(5) -0.002(3) -0.003(4) 0.019(4) C26 0.036(6) 0.064(8) 0.125(11) 0.026(8) 0.026(7) 0.032(6) C27 0.052(7) 0.048(6) 0.089(9) 0.004(6) 0.042(6) 0.021(5) C28 0.089(11) 0.113(13) 0.086(10) 0.046(9) 0.035(8) 0.047(10) C29 0.085(10) 0.091(10) 0.090(10) 0.047(8) 0.019(8) 0.044(9) C30 0.040(5) 0.022(4) 0.032(5) 0.013(4) 0.011(4) 0.011(4) Cl1 0.159(4) 0.057(2) 0.065(2) 0.0016(16) 0.026(2) 0.032(2) Cl2 0.0633(17) 0.0296(12) 0.0704(18) 0.0040(12) 0.0086(13) 0.0218(12) Cu1 0.0331(6) 0.0282(6) 0.0341(6) 0.0059(4) 0.0048(4) 0.0154(5) Cu2 0.0278(6) 0.0303(6) 0.0478(7) 0.0071(5) 0.0101(5) 0.0120(5) N1 0.027(4) 0.018(3) 0.036(4) 0.007(3) 0.008(3) 0.010(3) N2 0.017(3) 0.013(3) 0.034(4) 0.002(3) 0.002(3) 0.005(3) N3 0.050(5) 0.022(4) 0.045(5) 0.014(3) 0.001(4) 0.011(3) N4 0.046(5) 0.039(5) 0.053(5) 0.002(4) 0.010(4) 0.018(4) N5 0.051(5) 0.033(4) 0.043(5) 0.015(3) 0.005(4) 0.015(4) N6 0.087(7) 0.078(7) 0.060(6) 0.003(5) 0.003(5) 0.063(6) N7 0.028(5) 0.034(4) 0.063(5) 0.015(4) 0.011(4) 0.003(4) N8 0.022(4) 0.028(4) 0.055(5) 0.002(3) 0.010(3) 0.009(3) N9 0.039(5) 0.034(4) 0.091(7) 0.015(4) 0.014(4) 0.017(4) N10 0.041(5) 0.039(5) 0.056(5) 0.009(4) 0.014(4) 0.009(4) N11 0.057(6) 0.046(5) 0.052(5) -0.002(4) -0.001(4) 0.024(4) N12 0.043(5) 0.031(4) 0.037(4) -0.002(3) 0.002(3) 0.012(4) O1 0.226(16) 0.066(7) 0.107(9) -0.024(6) 0.025(9) 0.013(9) O2 0.291(19) 0.086(8) 0.063(7) 0.005(6) 0.026(9) 0.009(10) O3 0.213(15) 0.091(8) 0.094(8) 0.016(7) 0.082(9) 0.016(9) O4 0.188(17) 0.29(2) 0.231(19) 0.097(18) 0.017(14) 0.173(18) O5 0.271(17) 0.068(7) 0.062(6) -0.003(5) 0.009(8) 0.084(9) O6 0.112(8) 0.074(6) 0.093(7) -0.035(5) -0.009(6) 0.055(6) O7 0.062(7) 0.087(9) 0.43(3) 0.044(13) 0.026(11) 0.041(7) O8 0.160(11) 0.080(7) 0.079(7) 0.032(6) 0.012(7) -0.018(7) Ru1 0.0230(3) 0.0135(3) 0.0264(4) 0.0026(2) 0.0052(2) 0.0079(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag C1 C2 1.357(12) . ? C1 N1 1.366(10) . ? C2 C3 1.398(13) . ? C3 C4 1.380(13) . ? C3 C11 1.540(13) . ? C4 C5 1.380(12) . ? C5 N1 1.360(10) . ? C5 C6 1.490(10) . ? C6 N2 1.348(10) . ? C6 C7 1.386(12) . ? C7 C8 1.400(12) . ? C8 C9 1.388(12) . ? C8 C15 1.513(12) . ? C9 C10 1.377(12) . ? C10 N2 1.348(10) . ? C11 C14 1.510(16) . ? C11 C12 1.515(16) . ? C11 C13 1.544(17) . ? C15 C17 1.514(18) . ? C15 C16 1.514(16) . ? C15 C18 1.559(15) . ? C19 N3 1.179(11) . ? C19 Ru1 1.973(9) . ? C20 N4 1.479(13) . ? C20 C21 1.491(15) . ? C21 N5 1.478(12) . ? C22 N5 1.492(13) . ? C22 C23 1.494(18) . ? C23 N6 1.460(15) . ? C24 N7 1.180(10) . ? C24 Ru1 2.023(8) 2_665 ? C25 N8 1.140(11) . ? C25 Ru1 2.058(9) . ? C26 C27 1.456(17) . ? C26 N9 1.476(13) . ? C27 N10 1.468(13) . ? C28 C29 1.374(18) . ? C28 N10 1.489(15) . ? C29 N11 1.494(15) . ? C30 N12 1.175(11) . ? C30 Ru1 1.983(9) 2 ? Cl1 O3 1.328(12) . ? Cl1 O4 1.358(15) . ? Cl1 O2 1.394(12) . ? Cl1 O1 1.424(11) . ? Cl2 O8 1.367(10) . ? Cl2 O5 1.387(10) . ? Cl2 O7 1.390(11) . ? Cl2 O6 1.401(8) . ? Cu1 N3 1.951(7) . ? Cu1 N4 2.002(8) . ? Cu1 N6 2.030(9) . ? Cu1 N5 2.040(7) . ? Cu1 N7 2.166(7) . ? Cu2 N8 1.953(7) . ? Cu2 N10 2.025(8) . ? Cu2 N9 2.048(8) . ? Cu2 N11 2.059(8) . ? Cu2 N12 2.177(7) . ? N1 Ru1 2.100(6) . ? N2 Ru1 2.115(6) . ? Ru1 C30 1.983(9) 2 ? Ru1 C24 2.023(8) 2_665 ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C2 C1 N1 123.1(8) . . ? C1 C2 C3 121.2(8) . . ? C4 C3 C2 115.6(8) . . ? C4 C3 C11 123.0(9) . . ? C2 C3 C11 121.3(8) . . ? C5 C4 C3 121.7(9) . . ? N1 C5 C4 122.0(7) . . ? N1 C5 C6 114.1(7) . . ? C4 C5 C6 124.0(7) . . ? N2 C6 C7 122.1(7) . . ? N2 C6 C5 114.9(7) . . ? C7 C6 C5 123.1(7) . . ? C6 C7 C8 121.1(8) . . ? C9 C8 C7 115.6(8) . . ? C9 C8 C15 120.5(8) . . ? C7 C8 C15 123.8(8) . . ? C10 C9 C8 120.9(8) . . ? N2 C10 C9 123.1(8) . . ? C14 C11 C12 108.5(11) . . ? C14 C11 C3 114.0(8) . . ? C12 C11 C3 110.3(9) . . ? C14 C11 C13 109.6(11) . . ? C12 C11 C13 108.0(10) . . ? C3 C11 C13 106.4(10) . . ? C8 C15 C17 107.8(10) . . ? C8 C15 C16 112.5(8) . . ? C17 C15 C16 110.8(12) . . ? C8 C15 C18 110.6(9) . . ? C17 C15 C18 106.1(11) . . ? C16 C15 C18 108.8(11) . . ? N3 C19 Ru1 177.3(7) . . ? N4 C20 C21 109.3(8) . . ? N5 C21 C20 107.0(8) . . ? N5 C22 C23 109.1(10) . . ? N6 C23 C22 108.4(10) . . ? N7 C24 Ru1 176.0(7) . 2_665 ? N8 C25 Ru1 171.2(7) . . ? C27 C26 N9 108.8(10) . . ? C26 C27 N10 107.3(8) . . ? C29 C28 N10 110.8(11) . . ? C28 C29 N11 113.1(11) . . ? N12 C30 Ru1 178.6(7) . 2 ? O3 Cl1 O4 102.0(12) . . ? O3 Cl1 O2 114.0(10) . . ? O4 Cl1 O2 111.1(12) . . ? O3 Cl1 O1 112.8(8) . . ? O4 Cl1 O1 100.5(12) . . ? O2 Cl1 O1 114.8(8) . . ? O8 Cl2 O5 107.2(7) . . ? O8 Cl2 O7 108.7(9) . . ? O5 Cl2 O7 110.2(11) . . ? O8 Cl2 O6 116.9(8) . . ? O5 Cl2 O6 109.5(6) . . ? O7 Cl2 O6 104.3(8) . . ? N3 Cu1 N4 92.0(3) . . ? N3 Cu1 N6 92.9(3) . . ? N4 Cu1 N6 153.9(4) . . ? N3 Cu1 N5 161.4(3) . . ? N4 Cu1 N5 83.4(3) . . ? N6 Cu1 N5 83.8(3) . . ? N3 Cu1 N7 103.0(3) . . ? N4 Cu1 N7 102.7(3) . . ? N6 Cu1 N7 101.0(4) . . ? N5 Cu1 N7 95.6(3) . . ? N8 Cu2 N10 167.7(3) . . ? N8 Cu2 N9 96.0(3) . . ? N10 Cu2 N9 83.1(3) . . ? N8 Cu2 N11 92.0(3) . . ? N10 Cu2 N11 82.8(3) . . ? N9 Cu2 N11 149.0(4) . . ? N8 Cu2 N12 98.3(3) . . ? N10 Cu2 N12 93.8(3) . . ? N9 Cu2 N12 105.1(3) . . ? N11 Cu2 N12 103.3(3) . . ? C5 N1 C1 116.4(7) . . ? C5 N1 Ru1 117.4(5) . . ? C1 N1 Ru1 126.2(5) . . ? C10 N2 C6 117.2(7) . . ? C10 N2 Ru1 125.6(5) . . ? C6 N2 Ru1 116.9(5) . . ? C19 N3 Cu1 165.8(7) . . ? C20 N4 Cu1 110.2(6) . . ? C21 N5 C22 114.8(8) . . ? C21 N5 Cu1 109.3(6) . . ? C22 N5 Cu1 107.7(6) . . ? C23 N6 Cu1 110.2(7) . . ? C24 N7 Cu1 145.4(7) . . ? C25 N8 Cu2 161.5(7) . . ? C26 N9 Cu2 107.1(6) . . ? C27 N10 C28 113.4(10) . . ? C27 N10 Cu2 108.8(6) . . ? C28 N10 Cu2 110.0(7) . . ? C29 N11 Cu2 108.0(7) . . ? C30 N12 Cu2 172.9(7) . . ? C19 Ru1 C30 90.0(3) . 2 ? C19 Ru1 C24 90.0(3) . 2_665 ? C30 Ru1 C24 90.7(3) 2 2_665 ? C19 Ru1 C25 92.5(3) . . ? C30 Ru1 C25 89.8(3) 2 . ? C24 Ru1 C25 177.4(3) 2_665 . ? C19 Ru1 N1 96.8(3) . . ? C30 Ru1 N1 173.0(3) 2 . ? C24 Ru1 N1 87.5(3) 2_665 . ? C25 Ru1 N1 91.7(3) . . ? C19 Ru1 N2 172.3(3) . . ? C30 Ru1 N2 96.8(3) 2 . ? C24 Ru1 N2 93.5(3) 2_665 . ? C25 Ru1 N2 83.9(3) . . ? N1 Ru1 N2 76.6(2) . . ? _diffrn_measured_fraction_theta_max 0.953 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.953 _refine_diff_density_max 1.548 _refine_diff_density_min -1.240 _refine_diff_density_rms 0.149