Supplementary Material (ESI) for Dalton Transactions This journal is (c) The Royal Society of Chemistry 2008 data_global _journal_coden_Cambridge 222 _publ_requested_journal 'Dalton Transactions' loop_ _publ_author_name 'Mallayan Andavar' 'Mohammad Akbarsha' 'Mariappan Murali' 'Mariappan Periasamy' 'Venugopal Rajendiran' 'Eringathodi Suresh' _publ_contact_author_name 'Palandinadavar Mallayan' _publ_contact_author_address ; Department of Chemistry Bharathidasan University Tiruchirappalli Southern 620 024 INDIA ; _publ_contact_author_email PALANIM51@YAHOO.COM _publ_section_title ;Non-covalent DNA binding and cytotoxicity of certain mixed ligand ruthenium(II) complexes of 2,2'-dipyridylamine and diimines ; # Attachment 'MP_Dalton_CIF_complex_11.cif' data_mpvrdpam _database_code_depnum_ccdc_archive 'CCDC 662555' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_sum 'C32 H25 Cl2 N8 O8 Ru' _chemical_formula_weight 821.57 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' Cl Cl 0.1484 0.1585 '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' Ru Ru -1.2594 0.8363 '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' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Orthorhombic _symmetry_space_group_name_H-M Pbca loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' 'x+1/2, -y+1/2, -z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, y, -z-1/2' '-x-1/2, y-1/2, z' 'x, -y-1/2, z-1/2' _cell_length_a 18.642(10) _cell_length_b 15.952(9) _cell_length_c 22.343(12) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 6644(6) _cell_formula_units_Z 8 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description Plates _exptl_crystal_colour Red _exptl_crystal_size_max 0.14 _exptl_crystal_size_mid 0.07 _exptl_crystal_size_min 0.04 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.643 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3320 _exptl_absorpt_coefficient_mu 0.698 _exptl_absorpt_correction_type MULTI-SCAN _exptl_absorpt_correction_T_min 0.9086 _exptl_absorpt_correction_T_max 0.9726 _exptl_absorpt_process_details 'BRUKER SADABS' _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'BRUKER SMART APEX CCD DIFFRACTOMETER' _diffrn_measurement_method 'OMEGA-PHI SCAN' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 24624 _diffrn_reflns_av_R_equivalents 0.2366 _diffrn_reflns_av_sigmaI/netI 0.2071 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_theta_min 1.91 _diffrn_reflns_theta_max 22.50 _reflns_number_total 4333 _reflns_number_gt 2465 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'BRUKER SMART' _computing_cell_refinement 'BRUKER SMART' _computing_data_reduction 'BRUKER SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ORTEP _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^)+(0.0992P)^2^+0.0000P] 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 constr _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0015(5) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 4333 _refine_ls_number_parameters 461 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1639 _refine_ls_R_factor_gt 0.0936 _refine_ls_wR_factor_ref 0.2729 _refine_ls_wR_factor_gt 0.2158 _refine_ls_goodness_of_fit_ref 1.057 _refine_ls_restrained_S_all 1.057 _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_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ru1 Ru 0.08298(5) 0.15344(6) 0.34508(5) 0.0377(5) Uani 1 d . . . N7 N 0.1515(6) 0.2569(6) 0.4532(6) 0.051(3) Uani 1 d . . . N2 N -0.0109(5) 0.0827(7) 0.3474(6) 0.049(3) Uani 1 d . . . N3 N 0.1250(6) 0.0720(6) 0.2819(6) 0.046(3) Uani 1 d . . . N6 N 0.0394(6) 0.2375(6) 0.4057(6) 0.044(3) Uani 1 d . . . N5 N 0.0524(5) 0.2310(6) 0.2764(5) 0.039(3) Uani 1 d . . . C26 C 0.0488(8) 0.3264(9) 0.4919(7) 0.055(4) Uani 1 d . . . H26 H 0.0776 0.3493 0.5217 0.067 Uiso 1 calc R . . C28 C 0.1991(8) 0.2552(8) 0.4058(10) 0.061(5) Uani 1 d . . . C20 C -0.0173(8) 0.3337(9) 0.1930(9) 0.067(5) Uani 1 d . . . H20 H -0.0439 0.3672 0.1671 0.081 Uiso 1 calc R . . N1 N 0.1095(5) 0.0662(6) 0.4110(5) 0.033(3) Uani 1 d . . . N8 N 0.1781(5) 0.2195(7) 0.3535(7) 0.056(4) Uani 1 d . . . C3 C 0.1296(8) -0.0657(8) 0.4921(7) 0.051(4) Uani 1 d . . . H3 H 0.1358 -0.1080 0.5203 0.061 Uiso 1 calc R . . C1 C 0.1710(7) 0.0561(8) 0.4409(6) 0.042(4) Uani 1 d . . . H1 H 0.2081 0.0940 0.4343 0.051 Uiso 1 calc R . . C32 C 0.2249(7) 0.2255(8) 0.3067(7) 0.045(4) Uani 1 d . . . H32 H 0.2102 0.2049 0.2697 0.054 Uiso 1 calc R . . C23 C -0.0321(7) 0.2576(7) 0.4030(7) 0.051(4) Uani 1 d . . . H23 H -0.0612 0.2341 0.3736 0.061 Uiso 1 calc R . . C18 C 0.0269(7) 0.1993(8) 0.2245(6) 0.039(3) Uani 1 d . . . C11 C -0.0078(7) 0.0179(9) 0.3860(6) 0.039(3) Uani 1 d . . . C22 C 0.0490(7) 0.3167(8) 0.2828(7) 0.051(4) Uani 1 d . . . H22 H 0.0697 0.3417 0.3162 0.061 Uiso 1 calc R . . C17 C 0.0928(6) 0.0613(7) 0.2276(7) 0.039(4) Uani 1 d . . . C13 C 0.1852(6) 0.0254(9) 0.2928(7) 0.045(4) Uani 1 d . . . H13 H 0.2120 0.0348 0.3272 0.054 Uiso 1 calc R . . C9 C -0.1324(7) 0.0415(9) 0.3228(7) 0.054(4) Uani 1 d . . . H9 H -0.1741 0.0519 0.3012 0.065 Uiso 1 calc R . . N4 N 0.0352(5) 0.1148(7) 0.2123(5) 0.047(3) Uani 1 d . . . H4 H 0.0007 0.0917 0.1928 0.057 Uiso 1 calc R . . C12 C 0.0563(7) 0.0073(8) 0.4201(6) 0.041(4) Uani 1 d . . . C21 C 0.0161(7) 0.3651(9) 0.2416(9) 0.064(5) Uani 1 d . . . H21 H 0.0165 0.4229 0.2470 0.077 Uiso 1 calc R . . C2 C 0.1819(7) -0.0085(8) 0.4811(7) 0.048(4) Uani 1 d . . . H2 H 0.2256 -0.0128 0.5009 0.058 Uiso 1 calc R . . C19 C -0.0094(7) 0.2505(9) 0.1844(7) 0.051(4) Uani 1 d . . . H19 H -0.0290 0.2265 0.1502 0.061 Uiso 1 calc R . . C27 C 0.0782(8) 0.2722(8) 0.4500(7) 0.048(4) Uani 1 d . . . C10 C -0.0722(7) 0.0924(10) 0.3159(6) 0.047(4) Uani 1 d . . . H10 H -0.0744 0.1355 0.2880 0.056 Uiso 1 calc R . . C31 C 0.2919(8) 0.2598(8) 0.3106(9) 0.060(5) Uani 1 d . . . H31 H 0.3218 0.2640 0.2774 0.072 Uiso 1 calc R . . C7 C -0.0649(7) -0.0377(8) 0.3951(7) 0.041(4) Uani 1 d . . . C16 C 0.1138(8) 0.0000(10) 0.1862(7) 0.059(4) Uani 1 d . . . H16 H 0.0887 -0.0069 0.1506 0.070 Uiso 1 calc R . . C25 C -0.0215(10) 0.3459(10) 0.4896(8) 0.073(5) Uani 1 d . . . H25 H -0.0423 0.3806 0.5181 0.087 Uiso 1 calc R . . C5 C 0.0051(9) -0.1158(8) 0.4654(7) 0.055(4) Uani 1 d . . . H5 H 0.0095 -0.1609 0.4916 0.066 Uiso 1 calc R . . C6 C -0.0561(8) -0.1065(8) 0.4352(6) 0.045(4) Uani 1 d . . . H6 H -0.0931 -0.1450 0.4404 0.054 Uiso 1 calc R . . C30 C 0.3131(9) 0.2880(11) 0.3665(9) 0.076(6) Uani 1 d . . . H30 H 0.3596 0.3077 0.3720 0.092 Uiso 1 calc R . . C8 C -0.1286(7) -0.0252(9) 0.3628(7) 0.054(4) Uani 1 d . . . H8 H -0.1676 -0.0609 0.3681 0.065 Uiso 1 calc R . . C15 C 0.1707(9) -0.0483(10) 0.1987(8) 0.066(5) Uani 1 d . . . H15 H 0.1861 -0.0893 0.1720 0.079 Uiso 1 calc R . . C4 C 0.0653(7) -0.0584(8) 0.4589(6) 0.039(3) Uani 1 d . . . C24 C -0.0607(9) 0.3134(9) 0.4445(8) 0.065(5) Uani 1 d . . . H24 H -0.1086 0.3289 0.4410 0.078 Uiso 1 calc R . . C29 C 0.2657(8) 0.2871(10) 0.4147(9) 0.069(5) Uani 1 d . . . H29 H 0.2794 0.3078 0.4519 0.083 Uiso 1 calc R . . C14 C 0.2059(7) -0.0352(10) 0.2529(8) 0.058(4) Uani 1 d . . . H14 H 0.2449 -0.0689 0.2624 0.069 Uiso 1 calc R . . Cl1 Cl 0.3791(2) 0.0213(3) 0.3776(2) 0.0667(13) Uani 1 d . . . Cl3 Cl 0.2330(2) 0.2264(3) 0.1124(2) 0.0778(14) Uani 1 d . . . O1 O 0.4535(6) 0.0249(10) 0.3835(7) 0.125(6) Uani 1 d . . . O7 O 0.2351(12) 0.1724(12) 0.0649(9) 0.194(9) Uani 1 d . . . O8 O 0.2963(8) 0.2220(13) 0.1435(9) 0.180(9) Uani 1 d . . . O3 O 0.3453(9) 0.0650(14) 0.4198(11) 0.221(13) Uani 1 d . . . O5 O 0.1751(12) 0.2158(18) 0.1451(11) 0.238(12) Uani 1 d . . . O2 O 0.3518(10) -0.0558(10) 0.3765(14) 0.232(13) Uani 1 d . . . O6 O 0.2326(10) 0.3100(12) 0.0855(10) 0.178(8) Uani 1 d . . . O4 O 0.3647(10) 0.0570(19) 0.3232(11) 0.249(15) Uani 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 Ru1 0.0240(6) 0.0357(7) 0.0534(9) 0.0030(6) 0.0012(5) -0.0028(5) N7 0.024(7) 0.047(7) 0.082(11) 0.001(7) 0.015(7) -0.008(5) N2 0.017(6) 0.041(7) 0.088(10) 0.004(7) 0.001(6) -0.012(5) N3 0.035(7) 0.031(6) 0.071(10) -0.005(6) 0.011(6) -0.005(5) N6 0.044(7) 0.031(6) 0.058(9) 0.002(6) 0.013(6) -0.002(5) N5 0.018(5) 0.038(7) 0.061(9) -0.003(6) -0.003(6) 0.003(5) C26 0.047(10) 0.069(11) 0.050(11) -0.003(9) 0.012(8) -0.005(8) C28 0.042(10) 0.029(8) 0.112(17) -0.017(9) -0.015(11) -0.007(7) C20 0.052(10) 0.045(10) 0.104(16) 0.025(10) -0.036(10) -0.009(8) N1 0.032(6) 0.033(6) 0.035(7) -0.002(5) -0.002(5) 0.001(5) N8 0.017(6) 0.042(7) 0.107(12) 0.026(8) 0.012(7) 0.000(5) C3 0.064(10) 0.035(8) 0.053(11) 0.014(7) 0.018(9) 0.002(7) C1 0.038(8) 0.036(8) 0.053(11) -0.003(7) -0.007(7) 0.004(6) C32 0.036(8) 0.046(8) 0.053(11) 0.009(7) 0.014(8) -0.015(7) C23 0.043(9) 0.030(8) 0.080(13) -0.004(8) 0.008(8) 0.010(7) C18 0.035(8) 0.041(8) 0.039(10) -0.002(8) 0.002(7) -0.007(7) C11 0.040(8) 0.059(9) 0.018(8) -0.013(7) 0.010(7) 0.009(7) C22 0.034(8) 0.035(8) 0.083(13) -0.013(8) 0.012(8) 0.000(7) C17 0.026(8) 0.028(7) 0.061(11) 0.003(7) -0.003(7) -0.021(6) C13 0.019(7) 0.064(9) 0.053(11) 0.000(8) 0.012(7) 0.002(7) C9 0.033(8) 0.059(10) 0.071(12) 0.007(9) 0.017(8) 0.008(8) N4 0.033(7) 0.054(8) 0.055(9) -0.003(6) -0.008(6) -0.001(6) C12 0.051(9) 0.040(8) 0.032(9) 0.002(7) 0.006(7) -0.005(7) C21 0.039(9) 0.045(9) 0.107(16) 0.026(10) -0.008(10) 0.015(8) C2 0.036(8) 0.056(9) 0.053(11) 0.005(8) 0.002(7) 0.020(7) C19 0.041(9) 0.057(10) 0.053(11) 0.007(8) -0.002(8) -0.005(8) C27 0.055(10) 0.031(8) 0.059(11) 0.009(7) 0.007(9) -0.004(8) C10 0.031(8) 0.076(10) 0.033(9) 0.005(8) 0.005(7) -0.005(8) C31 0.055(11) 0.040(9) 0.086(15) 0.006(9) 0.021(10) -0.007(8) C7 0.036(8) 0.031(7) 0.055(10) -0.008(7) 0.009(7) -0.006(6) C16 0.054(10) 0.069(11) 0.052(11) -0.024(9) -0.002(8) 0.004(9) C25 0.091(14) 0.073(12) 0.055(13) -0.019(10) 0.018(10) 0.010(11) C5 0.076(12) 0.039(9) 0.049(11) 0.003(8) 0.004(9) 0.004(8) C6 0.059(10) 0.038(8) 0.036(9) -0.005(7) 0.017(8) -0.016(7) C30 0.048(10) 0.085(13) 0.096(16) -0.032(12) -0.001(11) -0.026(9) C8 0.041(9) 0.060(10) 0.061(12) -0.011(9) 0.010(8) -0.012(8) C15 0.058(11) 0.074(11) 0.065(13) -0.019(10) 0.010(10) 0.002(9) C4 0.037(8) 0.044(8) 0.037(9) -0.010(7) 0.001(7) 0.000(7) C24 0.053(10) 0.058(10) 0.084(14) -0.001(10) 0.004(10) 0.021(8) C29 0.051(11) 0.072(11) 0.086(15) -0.024(10) -0.004(10) -0.014(9) C14 0.031(8) 0.066(10) 0.076(14) 0.007(10) 0.004(9) 0.011(8) Cl1 0.042(2) 0.068(3) 0.090(4) -0.003(3) -0.002(2) -0.003(2) Cl3 0.051(3) 0.096(4) 0.086(4) -0.009(3) 0.000(3) 0.017(2) O1 0.037(7) 0.209(16) 0.129(14) 0.039(12) 0.006(7) 0.009(9) O7 0.28(2) 0.161(17) 0.140(18) -0.098(15) -0.017(16) 0.040(15) O8 0.099(12) 0.214(19) 0.23(2) 0.030(16) -0.099(13) 0.011(12) O3 0.108(13) 0.28(2) 0.27(3) -0.18(2) 0.095(15) -0.039(14) O5 0.145(18) 0.32(3) 0.25(3) -0.05(2) 0.104(18) -0.044(19) O2 0.145(17) 0.087(11) 0.46(4) -0.007(17) 0.07(2) -0.031(11) O6 0.188(19) 0.133(14) 0.21(2) 0.019(16) -0.012(15) 0.064(13) O4 0.121(16) 0.43(4) 0.20(2) 0.16(3) -0.054(15) -0.03(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 Ru1 N5 2.051(11) . ? Ru1 N8 2.071(11) . ? Ru1 N6 2.072(11) . ? Ru1 N3 2.073(11) . ? Ru1 N2 2.084(9) . ? Ru1 N1 2.086(10) . ? N7 C28 1.38(2) . ? N7 C27 1.390(17) . ? N2 C11 1.347(16) . ? N2 C10 1.350(16) . ? N3 C17 1.364(17) . ? N3 C13 1.368(16) . ? N6 C27 1.344(18) . ? N6 C23 1.372(16) . ? N5 C18 1.352(16) . ? N5 C22 1.376(15) . ? C26 C25 1.35(2) . ? C26 C27 1.388(19) . ? C26 H26 0.9300 . ? C28 N8 1.36(2) . ? C28 C29 1.36(2) . ? C20 C21 1.35(2) . ? C20 C19 1.350(18) . ? C20 H20 0.9300 . ? N1 C1 1.336(15) . ? N1 C12 1.381(15) . ? N8 C32 1.366(18) . ? C3 C2 1.358(18) . ? C3 C4 1.412(19) . ? C3 H3 0.9300 . ? C1 C2 1.381(18) . ? C1 H1 0.9300 . ? C32 C31 1.368(18) . ? C32 H32 0.9300 . ? C23 C24 1.392(19) . ? C23 H23 0.9300 . ? C18 N4 1.384(16) . ? C18 C19 1.389(18) . ? C11 C7 1.400(17) . ? C11 C12 1.428(18) . ? C22 C21 1.349(19) . ? C22 H22 0.9300 . ? C17 C16 1.401(18) . ? C17 N4 1.413(15) . ? C13 C14 1.370(19) . ? C13 H13 0.9300 . ? C9 C8 1.39(2) . ? C9 C10 1.393(18) . ? C9 H9 0.9300 . ? N4 H4 0.8600 . ? C12 C4 1.372(18) . ? C21 H21 0.9300 . ? C2 H2 0.9300 . ? C19 H19 0.9300 . ? C10 H10 0.9300 . ? C31 C30 1.39(2) . ? C31 H31 0.9300 . ? C7 C8 1.403(19) . ? C7 C6 1.428(18) . ? C16 C15 1.34(2) . ? C16 H16 0.9300 . ? C25 C24 1.35(2) . ? C25 H25 0.9300 . ? C5 C6 1.332(19) . ? C5 C4 1.457(18) . ? C5 H5 0.9300 . ? C6 H6 0.9300 . ? C30 C29 1.39(2) . ? C30 H30 0.9300 . ? C8 H8 0.9300 . ? C15 C14 1.39(2) . ? C15 H15 0.9300 . ? C24 H24 0.9300 . ? C29 H29 0.9300 . ? C14 H14 0.9300 . ? Cl1 O2 1.331(15) . ? Cl1 O3 1.331(16) . ? Cl1 O4 1.37(2) . ? Cl1 O1 1.395(12) . ? Cl3 O5 1.314(18) . ? Cl3 O7 1.367(16) . ? Cl3 O8 1.371(14) . ? Cl3 O6 1.463(19) . ? 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 N5 Ru1 N8 89.9(4) . . ? N5 Ru1 N6 89.4(4) . . ? N8 Ru1 N6 86.9(5) . . ? N5 Ru1 N3 88.5(5) . . ? N8 Ru1 N3 93.3(5) . . ? N6 Ru1 N3 177.9(5) . . ? N5 Ru1 N2 96.4(4) . . ? N8 Ru1 N2 173.0(5) . . ? N6 Ru1 N2 90.3(4) . . ? N3 Ru1 N2 89.7(4) . . ? N5 Ru1 N1 175.0(4) . . ? N8 Ru1 N1 94.1(4) . . ? N6 Ru1 N1 93.6(4) . . ? N3 Ru1 N1 88.5(4) . . ? N2 Ru1 N1 79.7(4) . . ? C28 N7 C27 126.6(14) . . ? C11 N2 C10 117.2(11) . . ? C11 N2 Ru1 113.3(9) . . ? C10 N2 Ru1 129.5(10) . . ? C17 N3 C13 116.8(12) . . ? C17 N3 Ru1 121.2(9) . . ? C13 N3 Ru1 121.9(10) . . ? C27 N6 C23 117.4(12) . . ? C27 N6 Ru1 122.4(9) . . ? C23 N6 Ru1 120.2(10) . . ? C18 N5 C22 116.4(12) . . ? C18 N5 Ru1 120.9(8) . . ? C22 N5 Ru1 122.3(10) . . ? C25 C26 C27 120.1(16) . . ? C25 C26 H26 119.9 . . ? C27 C26 H26 119.9 . . ? N8 C28 C29 123.3(17) . . ? N8 C28 N7 118.8(13) . . ? C29 C28 N7 117.9(17) . . ? C21 C20 C19 115.4(15) . . ? C21 C20 H20 122.3 . . ? C19 C20 H20 122.3 . . ? C1 N1 C12 117.4(11) . . ? C1 N1 Ru1 129.6(9) . . ? C12 N1 Ru1 112.7(8) . . ? C28 N8 C32 116.5(13) . . ? C28 N8 Ru1 122.6(11) . . ? C32 N8 Ru1 120.8(12) . . ? C2 C3 C4 117.3(13) . . ? C2 C3 H3 121.4 . . ? C4 C3 H3 121.4 . . ? N1 C1 C2 122.7(13) . . ? N1 C1 H1 118.6 . . ? C2 C1 H1 118.6 . . ? N8 C32 C31 124.3(16) . . ? N8 C32 H32 117.9 . . ? C31 C32 H32 117.9 . . ? N6 C23 C24 119.5(15) . . ? N6 C23 H23 120.3 . . ? C24 C23 H23 120.3 . . ? N5 C18 N4 119.6(12) . . ? N5 C18 C19 120.4(12) . . ? N4 C18 C19 120.0(13) . . ? N2 C11 C7 123.1(12) . . ? N2 C11 C12 117.9(12) . . ? C7 C11 C12 119.0(13) . . ? C21 C22 N5 121.3(15) . . ? C21 C22 H22 119.4 . . ? N5 C22 H22 119.4 . . ? N3 C17 C16 123.5(13) . . ? N3 C17 N4 118.2(12) . . ? C16 C17 N4 118.3(14) . . ? N3 C13 C14 119.8(14) . . ? N3 C13 H13 120.1 . . ? C14 C13 H13 120.1 . . ? C8 C9 C10 118.4(14) . . ? C8 C9 H9 120.8 . . ? C10 C9 H9 120.8 . . ? C18 N4 C17 128.8(11) . . ? C18 N4 H4 115.6 . . ? C17 N4 H4 115.6 . . ? C4 C12 N1 121.6(12) . . ? C4 C12 C11 122.0(13) . . ? N1 C12 C11 116.3(12) . . ? C20 C21 C22 123.2(15) . . ? C20 C21 H21 118.4 . . ? C22 C21 H21 118.4 . . ? C3 C2 C1 120.9(13) . . ? C3 C2 H2 119.6 . . ? C1 C2 H2 119.6 . . ? C20 C19 C18 122.7(15) . . ? C20 C19 H19 118.7 . . ? C18 C19 H19 118.7 . . ? N6 C27 C26 122.7(14) . . ? N6 C27 N7 119.6(13) . . ? C26 C27 N7 117.6(15) . . ? N2 C10 C9 123.8(14) . . ? N2 C10 H10 118.1 . . ? C9 C10 H10 118.1 . . ? C32 C31 C30 116.6(16) . . ? C32 C31 H31 121.7 . . ? C30 C31 H31 121.7 . . ? C11 C7 C8 118.6(13) . . ? C11 C7 C6 119.4(13) . . ? C8 C7 C6 122.0(13) . . ? C15 C16 C17 119.0(15) . . ? C15 C16 H16 120.5 . . ? C17 C16 H16 120.5 . . ? C26 C25 C24 117.9(16) . . ? C26 C25 H25 121.1 . . ? C24 C25 H25 121.1 . . ? C6 C5 C4 122.7(13) . . ? C6 C5 H5 118.7 . . ? C4 C5 H5 118.7 . . ? C5 C6 C7 120.1(13) . . ? C5 C6 H6 119.9 . . ? C7 C6 H6 119.9 . . ? C31 C30 C29 120.9(15) . . ? C31 C30 H30 119.5 . . ? C29 C30 H30 119.5 . . ? C9 C8 C7 118.8(13) . . ? C9 C8 H8 120.6 . . ? C7 C8 H8 120.6 . . ? C16 C15 C14 117.9(15) . . ? C16 C15 H15 121.1 . . ? C14 C15 H15 121.1 . . ? C12 C4 C3 119.9(12) . . ? C12 C4 C5 116.7(12) . . ? C3 C4 C5 123.3(13) . . ? C25 C24 C23 122.4(15) . . ? C25 C24 H24 118.8 . . ? C23 C24 H24 118.8 . . ? C28 C29 C30 118.0(17) . . ? C28 C29 H29 121.0 . . ? C30 C29 H29 121.0 . . ? C13 C14 C15 122.6(14) . . ? C13 C14 H14 118.7 . . ? C15 C14 H14 118.7 . . ? O2 Cl1 O3 108.5(14) . . ? O2 Cl1 O4 107.1(18) . . ? O3 Cl1 O4 108.6(17) . . ? O2 Cl1 O1 114.8(12) . . ? O3 Cl1 O1 112.4(11) . . ? O4 Cl1 O1 105.2(11) . . ? O5 Cl3 O7 111.9(15) . . ? O5 Cl3 O8 114.8(16) . . ? O7 Cl3 O8 109.6(13) . . ? O5 Cl3 O6 110.0(15) . . ? O7 Cl3 O6 104.8(14) . . ? O8 Cl3 O6 105.0(12) . . ? _diffrn_measured_fraction_theta_max 0.899 _diffrn_reflns_theta_full 22.50 _diffrn_measured_fraction_theta_full 0.899 _refine_diff_density_max 0.774 _refine_diff_density_min -0.981 _refine_diff_density_rms 0.140