data_max _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_sum 'C27 H19 Cl2 N5 O5 Ru' _chemical_formula_weight 665.44 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' 'O' 'O' 0.0106 0.0060 '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' 'Cl' 'Cl' 0.1484 0.1585 '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 'Orthorhombic' _symmetry_space_group_name_H-M 'P c a b' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y+1/2, z+1/2' 'x+1/2, -y, -z+1/2' '-x+1/2, y+1/2, -z' '-x, -y, -z' 'x, y-1/2, -z-1/2' '-x-1/2, y, z-1/2' 'x-1/2, -y-1/2, z' _cell_length_a 11.1910(11) _cell_length_b 14.1940(10) _cell_length_c 33.1510(10) _cell_angle_alpha 90.000(4) _cell_angle_beta 90.000(6) _cell_angle_gamma 90.000(7) _cell_volume 5265.9(7) _cell_formula_units_Z 8 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 25 _cell_measurement_theta_min 5.2500 _cell_measurement_theta_max 11.4900 _exptl_crystal_description Block _exptl_crystal_colour Black _exptl_crystal_size_max 0.40 mm _exptl_crystal_size_mid 0.25 mm _exptl_crystal_size_min 0.25 mm _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.679 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2672 _exptl_absorpt_coefficient_mu 0.848 _exptl_absorpt_correction_type 'psi-scan' _exptl_absorpt_correction_T_min 0.991 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_process_details ; psi-scan (North, Philips & Mathews, 1968) ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.70930 _diffrn_radiation_type ' MoK\a' _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type Enraf-Nonius CAD-4 _diffrn_measurement_method \w/q-scan _diffrn_detector_area_resol_mean ? _diffrn_standards_number 3 _diffrn_standards_interval_count ? _diffrn_standards_interval_time 3600 _diffrn_standards_decay_% '<3% _diffrn_reflns_number 3762 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_sigmaI/netI 0.0283 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 39 _diffrn_reflns_theta_min 1.23 _diffrn_reflns_theta_max 24.93 _reflns_number_total 3762 _reflns_number_gt 3143 _reflns_threshold_expression >2sigma(I) _computing_data_collection Argus (Nonius, MACH3 software) _computing_cell_refinement Argus (Nonius, MACH3 software) _computing_data_reduction Maxus (Nonius software) _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics Ortep3 _computing_publication_material Maxus _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 w=1/[\s^2^(Fo^2^)+(0.0408P)^2^+9.2470P] 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 3762 _refine_ls_number_parameters 437 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0475 _refine_ls_R_factor_gt 0.0347 _refine_ls_wR_factor_ref 0.0896 _refine_ls_wR_factor_gt 0.0814 _refine_ls_goodness_of_fit_ref 1.055 _refine_ls_restrained_S_all 1.055 _refine_ls_shift/su_max 0.004 _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 Ru Ru 0.20425(3) 0.02081(2) 0.609164(10) 0.02978(12) Uani 1 d . . . Cl1 Cl 0.33954(12) 0.03038(9) 0.55306(4) 0.0520(3) Uani 1 d . . . Cl2 Cl 0.21929(11) 0.78348(9) 0.73381(4) 0.0489(3) Uani 1 d . . . N1 N 0.1571(3) -0.1203(2) 0.60040(10) 0.0323(8) Uani 1 d . . . N2 N 0.0817(3) -0.0012(2) 0.65447(10) 0.0328(8) Uani 1 d . . . N3 N 0.3481(3) 0.0038(2) 0.64719(11) 0.0345(8) Uani 1 d . . . N4 N 0.2374(3) 0.1514(2) 0.62216(11) 0.0345(8) Uani 1 d . . . N5 N 0.0732(3) 0.0873(3) 0.57515(10) 0.0371(9) Uani 1 d . . . O1 O 0.0309(3) -0.2359(2) 0.61805(9) 0.0440(8) Uani 1 d . . . O2 O 0.1360(5) 0.7365(4) 0.75821(14) 0.1091(17) Uani 1 d . . . O3 O 0.3385(4) 0.7590(3) 0.74464(13) 0.0885(14) Uani 1 d . . . O4 O 0.2059(4) 0.8825(3) 0.73881(15) 0.0937(15) Uani 1 d . . . O5 O 0.2014(3) 0.7599(3) 0.69238(11) 0.0678(10) Uani 1 d . . . C1 C 0.1111(4) -0.2727(3) 0.59005(14) 0.0425(11) Uani 1 d . . . C2 C 0.1142(6) -0.3627(4) 0.57473(18) 0.0609(16) Uani 1 d . . . C3 C 0.2062(7) -0.3801(4) 0.54820(18) 0.0689(18) Uani 1 d . . . C4 C 0.2897(6) -0.3120(4) 0.53774(16) 0.0580(15) Uani 1 d . . . C5 C 0.2833(5) -0.2212(4) 0.55262(15) 0.0456(12) Uani 1 d . . . C6 C 0.1901(4) -0.2024(3) 0.57940(12) 0.0354(10) Uani 1 d . . . C7 C 0.0676(4) -0.1453(3) 0.62321(13) 0.0353(10) Uani 1 d . . . C8 C 0.0194(4) -0.0838(3) 0.65303(13) 0.0335(10) Uani 1 d . . . C9 C -0.0708(5) -0.1055(3) 0.67987(16) 0.0463(12) Uani 1 d . . . C10 C -0.0997(5) -0.0412(4) 0.70957(15) 0.0487(13) Uani 1 d . . . C11 C -0.0363(5) 0.0413(3) 0.71170(15) 0.0445(12) Uani 1 d . . . C12 C 0.0524(5) 0.0583(3) 0.68431(14) 0.0392(11) Uani 1 d . . . C13 C 0.4033(4) -0.0763(4) 0.65777(15) 0.0415(11) Uani 1 d . . . C14 C 0.5039(5) -0.0777(4) 0.68121(16) 0.0516(13) Uani 1 d . . . C15 C 0.5488(5) 0.0052(4) 0.69585(16) 0.0549(14) Uani 1 d . . . C16 C 0.4928(5) 0.0885(4) 0.68620(15) 0.0487(13) Uani 1 d . . . C17 C 0.3921(4) 0.0869(3) 0.66154(12) 0.0372(10) Uani 1 d . . . C18 C 0.3283(4) 0.1712(3) 0.64763(13) 0.0373(10) Uani 1 d . . . C19 C 0.3522(5) 0.2635(4) 0.65785(16) 0.0486(13) Uani 1 d . . . C20 C 0.2849(6) 0.3347(4) 0.64127(17) 0.0610(15) Uani 1 d . . . C21 C 0.1933(5) 0.3140(3) 0.61481(17) 0.0543(14) Uani 1 d . . . C22 C 0.1697(4) 0.2204(3) 0.60513(13) 0.0386(10) Uani 1 d . . . C23 C 0.0761(4) 0.1830(3) 0.57867(13) 0.0404(11) Uani 1 d . . . C24 C -0.0047(5) 0.2396(4) 0.55808(17) 0.0557(14) Uani 1 d . . . C25 C -0.0892(6) 0.1997(5) 0.53408(19) 0.0669(17) Uani 1 d . . . C26 C -0.0926(5) 0.1038(5) 0.53026(17) 0.0606(16) Uani 1 d . . . C27 C -0.0105(4) 0.0496(4) 0.55140(15) 0.0468(12) Uani 1 d . . . H27 H -0.016(4) -0.019(3) 0.5521(13) 0.045(13) Uiso 1 d . . . H9 H -0.105(4) -0.160(3) 0.6763(13) 0.039(13) Uiso 1 d . . . H13 H 0.370(4) -0.125(3) 0.6481(12) 0.025(11) Uiso 1 d . . . H12 H 0.095(4) 0.103(3) 0.6875(14) 0.041(14) Uiso 1 d . . . H11 H -0.056(4) 0.079(3) 0.7314(13) 0.034(12) Uiso 1 d . . . H10 H -0.163(4) -0.055(3) 0.7269(13) 0.035(11) Uiso 1 d . . . H5 H 0.332(4) -0.179(3) 0.5448(12) 0.026(12) Uiso 1 d . . . H15 H 0.622(5) 0.012(3) 0.7136(16) 0.068(16) Uiso 1 d . . . H26 H -0.144(5) 0.076(4) 0.5158(15) 0.053(16) Uiso 1 d . . . H20 H 0.305(4) 0.398(4) 0.6481(15) 0.064(16) Uiso 1 d . . . H14 H 0.529(5) -0.134(4) 0.6879(15) 0.055(16) Uiso 1 d . . . H4 H 0.353(4) -0.326(3) 0.5184(14) 0.057(15) Uiso 1 d . . . H21 H 0.154(5) 0.358(4) 0.6021(16) 0.070(19) Uiso 1 d . . . H19 H 0.405(4) 0.273(3) 0.6733(14) 0.045(15) Uiso 1 d . . . H3 H 0.199(6) -0.443(5) 0.534(2) 0.12(2) Uiso 1 d . . . H2 H 0.065(5) -0.407(4) 0.5825(16) 0.063(17) Uiso 1 d . . . H16 H 0.516(5) 0.140(4) 0.6956(16) 0.062(17) Uiso 1 d . . . H24 H 0.004(5) 0.302(4) 0.5614(18) 0.09(2) Uiso 1 d . . . H25 H -0.141(6) 0.230(4) 0.5199(17) 0.08(2) Uiso 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 Ru 0.03124(19) 0.02602(18) 0.03206(19) 0.00011(15) -0.00159(15) -0.00257(15) Cl1 0.0583(7) 0.0507(7) 0.0471(7) 0.0055(6) 0.0158(6) -0.0029(6) Cl2 0.0435(7) 0.0478(7) 0.0554(7) -0.0088(5) -0.0022(6) 0.0027(6) N1 0.0328(19) 0.0315(19) 0.0327(19) -0.0021(15) -0.0029(15) -0.0014(16) N2 0.0344(19) 0.0298(19) 0.0342(18) 0.0011(14) -0.0035(15) 0.0017(15) N3 0.0307(18) 0.035(2) 0.038(2) -0.0004(15) -0.0011(16) -0.0030(15) N4 0.039(2) 0.0271(18) 0.0370(19) -0.0005(15) 0.0029(16) -0.0046(16) N5 0.040(2) 0.039(2) 0.0324(19) 0.0010(16) -0.0031(17) 0.0007(17) O1 0.0492(19) 0.0303(17) 0.0524(19) -0.0035(14) 0.0029(16) -0.0096(15) O2 0.114(4) 0.114(4) 0.100(4) 0.012(3) 0.032(3) -0.042(3) O3 0.069(3) 0.105(3) 0.092(3) -0.039(3) -0.031(2) 0.033(3) O4 0.106(4) 0.052(2) 0.123(4) -0.029(2) 0.009(3) 0.014(2) O5 0.070(3) 0.072(3) 0.062(2) -0.010(2) -0.014(2) 0.000(2) C1 0.049(3) 0.034(2) 0.044(3) -0.006(2) -0.008(2) 0.002(2) C2 0.088(5) 0.030(3) 0.065(4) -0.007(3) 0.002(3) -0.006(3) C3 0.102(5) 0.044(3) 0.060(3) -0.019(3) -0.010(4) 0.014(4) C4 0.072(4) 0.056(3) 0.046(3) -0.009(3) 0.001(3) 0.024(3) C5 0.046(3) 0.049(3) 0.041(3) -0.003(2) -0.001(2) 0.006(3) C6 0.039(3) 0.034(2) 0.033(2) -0.0052(18) -0.008(2) 0.003(2) C7 0.039(3) 0.025(2) 0.042(2) 0.0013(18) -0.003(2) -0.0060(19) C8 0.032(2) 0.033(2) 0.036(2) -0.0011(19) -0.0018(19) -0.0011(19) C9 0.045(3) 0.035(3) 0.059(3) 0.004(2) 0.008(2) -0.004(2) C10 0.047(3) 0.055(3) 0.044(3) 0.009(2) 0.017(2) 0.009(3) C11 0.056(3) 0.042(3) 0.035(3) 0.004(2) 0.008(2) 0.013(2) C12 0.048(3) 0.030(2) 0.039(3) -0.004(2) -0.005(2) 0.004(2) C13 0.041(3) 0.038(3) 0.046(3) 0.001(2) -0.007(2) 0.006(2) C14 0.047(3) 0.055(3) 0.053(3) 0.005(3) -0.009(2) 0.012(3) C15 0.043(3) 0.070(4) 0.051(3) 0.005(3) -0.013(2) -0.002(3) C16 0.045(3) 0.059(4) 0.042(3) -0.008(3) -0.007(2) -0.014(3) C17 0.039(3) 0.040(3) 0.032(2) -0.0039(19) 0.002(2) -0.005(2) C18 0.041(3) 0.036(2) 0.034(2) -0.0023(19) 0.002(2) -0.011(2) C19 0.049(3) 0.044(3) 0.053(3) -0.007(2) -0.012(3) -0.012(3) C20 0.080(4) 0.039(3) 0.065(3) -0.011(3) 0.001(3) -0.019(3) C21 0.069(4) 0.029(2) 0.065(4) 0.003(2) 0.006(3) 0.003(3) C22 0.042(3) 0.032(2) 0.042(3) 0.001(2) 0.006(2) 0.002(2) C23 0.043(3) 0.039(2) 0.039(2) 0.006(2) 0.004(2) 0.004(2) C24 0.060(3) 0.050(4) 0.056(3) 0.006(3) -0.003(3) 0.015(3) C25 0.062(4) 0.073(4) 0.066(4) 0.013(3) -0.012(3) 0.023(3) C26 0.047(3) 0.079(4) 0.056(3) 0.005(3) -0.018(3) -0.002(3) C27 0.046(3) 0.050(3) 0.045(3) 0.003(2) -0.007(2) -0.002(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 Ru N4 1.939(3) . ? Ru N2 2.058(3) . ? Ru N3 2.058(4) . ? Ru N5 2.077(4) . ? Ru N1 2.092(3) . ? Ru Cl1 2.4020(12) . ? Cl2 O2 1.402(5) . ? Cl2 O4 1.423(4) . ? Cl2 O3 1.424(4) . ? Cl2 O5 1.427(4) . ? N1 C7 1.304(5) . ? N1 C6 1.407(5) . ? N2 C12 1.341(6) . ? N2 C8 1.365(5) . ? N3 C13 1.340(6) . ? N3 C17 1.364(5) . ? N4 C18 1.352(5) . ? N4 C22 1.361(6) . ? N5 C27 1.335(6) . ? N5 C23 1.364(6) . ? O1 C7 1.360(5) . ? O1 C1 1.393(5) . ? C1 C2 1.376(6) . ? C1 C6 1.379(6) . ? C2 C3 1.377(9) . ? C2 H2 0.87(5) . ? C3 C4 1.389(9) . ? C3 H3 1.01(7) . ? C4 C5 1.382(7) . ? C4 H4 0.97(5) . ? C5 C6 1.395(6) . ? C5 H5 0.85(4) . ? C7 C8 1.425(6) . ? C8 C9 1.381(6) . ? C9 C10 1.381(7) . ? C9 H9 0.87(4) . ? C10 C11 1.371(7) . ? C10 H10 0.94(4) . ? C11 C12 1.367(7) . ? C11 H11 0.87(4) . ? C12 H12 0.80(5) . ? C13 C14 1.368(7) . ? C13 H13 0.85(4) . ? C14 C15 1.368(8) . ? C14 H14 0.88(5) . ? C15 C16 1.375(8) . ? C15 H15 1.02(6) . ? C16 C17 1.392(7) . ? C16 H16 0.84(5) . ? C17 C18 1.467(6) . ? C18 C19 1.380(6) . ? C19 C20 1.375(8) . ? C19 H19 0.79(5) . ? C20 C21 1.381(8) . ? C20 H20 0.95(6) . ? C21 C22 1.391(7) . ? C21 H21 0.88(6) . ? C22 C23 1.465(6) . ? C23 C24 1.389(7) . ? C24 C25 1.359(8) . ? C24 H24 0.89(6) . ? C25 C26 1.367(8) . ? C25 H25 0.87(6) . ? C26 C27 1.388(7) . ? C26 H26 0.85(5) . ? C27 H27 0.97(5) . ? 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 N4 Ru N2 96.32(14) . . ? N4 Ru N3 80.02(14) . . ? N2 Ru N3 93.24(14) . . ? N4 Ru N5 79.70(15) . . ? N2 Ru N5 89.67(14) . . ? N3 Ru N5 159.71(14) . . ? N4 Ru N1 174.08(14) . . ? N2 Ru N1 77.77(13) . . ? N3 Ru N1 99.79(13) . . ? N5 Ru N1 100.46(14) . . ? N4 Ru Cl1 89.86(11) . . ? N2 Ru Cl1 173.64(10) . . ? N3 Ru Cl1 89.31(10) . . ? N5 Ru Cl1 89.95(10) . . ? N1 Ru Cl1 96.06(10) . . ? O2 Cl2 O4 109.4(3) . . ? O2 Cl2 O3 111.2(3) . . ? O4 Cl2 O3 108.0(3) . . ? O2 Cl2 O5 110.5(3) . . ? O4 Cl2 O5 109.2(3) . . ? O3 Cl2 O5 108.5(2) . . ? C7 N1 C6 105.2(3) . . ? C7 N1 Ru 112.0(3) . . ? C6 N1 Ru 142.7(3) . . ? C12 N2 C8 116.2(4) . . ? C12 N2 Ru 127.3(3) . . ? C8 N2 Ru 116.4(3) . . ? C13 N3 C17 118.4(4) . . ? C13 N3 Ru 128.3(3) . . ? C17 N3 Ru 113.3(3) . . ? C18 N4 C22 122.0(4) . . ? C18 N4 Ru 118.7(3) . . ? C22 N4 Ru 119.3(3) . . ? C27 N5 C23 117.8(4) . . ? C27 N5 Ru 129.3(3) . . ? C23 N5 Ru 112.9(3) . . ? C7 O1 C1 104.1(3) . . ? C2 C1 C6 124.2(5) . . ? C2 C1 O1 127.6(5) . . ? C6 C1 O1 108.2(4) . . ? C1 C2 C3 114.9(6) . . ? C1 C2 H2 123(4) . . ? C3 C2 H2 122(4) . . ? C2 C3 C4 122.5(5) . . ? C2 C3 H3 113(4) . . ? C4 C3 H3 124(4) . . ? C5 C4 C3 121.7(5) . . ? C5 C4 H4 117(3) . . ? C3 C4 H4 121(3) . . ? C4 C5 C6 116.3(5) . . ? C4 C5 H5 121(3) . . ? C6 C5 H5 122(3) . . ? C1 C6 C5 120.3(4) . . ? C1 C6 N1 107.7(4) . . ? C5 C6 N1 132.0(4) . . ? N1 C7 O1 114.6(4) . . ? N1 C7 C8 121.7(4) . . ? O1 C7 C8 123.5(4) . . ? N2 C8 C9 122.9(4) . . ? N2 C8 C7 111.0(4) . . ? C9 C8 C7 125.9(4) . . ? C8 C9 C10 118.9(5) . . ? C8 C9 H9 116(3) . . ? C10 C9 H9 125(3) . . ? C11 C10 C9 118.7(5) . . ? C11 C10 H10 123(3) . . ? C9 C10 H10 118(3) . . ? C12 C11 C10 119.5(5) . . ? C12 C11 H11 125(3) . . ? C10 C11 H11 116(3) . . ? N2 C12 C11 123.7(5) . . ? N2 C12 H12 117(3) . . ? C11 C12 H12 119(3) . . ? N3 C13 C14 122.7(5) . . ? N3 C13 H13 113(3) . . ? C14 C13 H13 124(3) . . ? C13 C14 C15 119.4(5) . . ? C13 C14 H14 115(3) . . ? C15 C14 H14 125(3) . . ? C14 C15 C16 119.3(5) . . ? C14 C15 H15 126(3) . . ? C16 C15 H15 115(3) . . ? C15 C16 C17 119.5(5) . . ? C15 C16 H16 122(4) . . ? C17 C16 H16 119(4) . . ? N3 C17 C16 120.8(4) . . ? N3 C17 C18 114.8(4) . . ? C16 C17 C18 124.4(4) . . ? N4 C18 C19 119.7(4) . . ? N4 C18 C17 113.2(4) . . ? C19 C18 C17 127.1(4) . . ? C20 C19 C18 119.6(5) . . ? C20 C19 H19 123(4) . . ? C18 C19 H19 117(4) . . ? C19 C20 C21 120.3(5) . . ? C19 C20 H20 118(3) . . ? C21 C20 H20 122(3) . . ? C20 C21 C22 119.3(5) . . ? C20 C21 H21 122(4) . . ? C22 C21 H21 118(4) . . ? N4 C22 C21 119.0(5) . . ? N4 C22 C23 112.7(4) . . ? C21 C22 C23 128.3(5) . . ? N5 C23 C24 121.2(5) . . ? N5 C23 C22 115.4(4) . . ? C24 C23 C22 123.4(5) . . ? C25 C24 C23 120.0(6) . . ? C25 C24 H24 124(4) . . ? C23 C24 H24 116(4) . . ? C24 C25 C26 119.2(6) . . ? C24 C25 H25 125(4) . . ? C26 C25 H25 116(4) . . ? C25 C26 C27 119.1(6) . . ? C25 C26 H26 123(4) . . ? C27 C26 H26 118(4) . . ? N5 C27 C26 122.7(5) . . ? N5 C27 H27 115(3) . . ? C26 C27 H27 122(3) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag N4 Ru N1 C7 11.8(15) . . . . ? N2 Ru N1 C7 8.2(3) . . . . ? N3 Ru N1 C7 99.4(3) . . . . ? N5 Ru N1 C7 -79.2(3) . . . . ? Cl1 Ru N1 C7 -170.2(3) . . . . ? N4 Ru N1 C6 -164.6(12) . . . . ? N2 Ru N1 C6 -168.1(5) . . . . ? N3 Ru N1 C6 -76.9(5) . . . . ? N5 Ru N1 C6 104.5(5) . . . . ? Cl1 Ru N1 C6 13.4(5) . . . . ? N4 Ru N2 C12 -6.4(4) . . . . ? N3 Ru N2 C12 73.9(4) . . . . ? N5 Ru N2 C12 -86.0(4) . . . . ? N1 Ru N2 C12 173.2(4) . . . . ? Cl1 Ru N2 C12 -172.6(7) . . . . ? N4 Ru N2 C8 170.5(3) . . . . ? N3 Ru N2 C8 -109.2(3) . . . . ? N5 Ru N2 C8 90.9(3) . . . . ? N1 Ru N2 C8 -9.9(3) . . . . ? Cl1 Ru N2 C8 4.3(11) . . . . ? N4 Ru N3 C13 -177.6(4) . . . . ? N2 Ru N3 C13 86.6(4) . . . . ? N5 Ru N3 C13 -175.6(4) . . . . ? N1 Ru N3 C13 8.4(4) . . . . ? Cl1 Ru N3 C13 -87.6(4) . . . . ? N4 Ru N3 C17 -0.1(3) . . . . ? N2 Ru N3 C17 -96.0(3) . . . . ? N5 Ru N3 C17 1.9(6) . . . . ? N1 Ru N3 C17 -174.1(3) . . . . ? Cl1 Ru N3 C17 89.9(3) . . . . ? N2 Ru N4 C18 91.6(3) . . . . ? N3 Ru N4 C18 -0.6(3) . . . . ? N5 Ru N4 C18 -179.9(3) . . . . ? N1 Ru N4 C18 88.1(14) . . . . ? Cl1 Ru N4 C18 -89.9(3) . . . . ? N2 Ru N4 C22 -89.1(3) . . . . ? N3 Ru N4 C22 178.7(3) . . . . ? N5 Ru N4 C22 -0.6(3) . . . . ? N1 Ru N4 C22 -92.6(14) . . . . ? Cl1 Ru N4 C22 89.4(3) . . . . ? N4 Ru N5 C27 -179.5(4) . . . . ? N2 Ru N5 C27 -83.0(4) . . . . ? N3 Ru N5 C27 178.5(4) . . . . ? N1 Ru N5 C27 -5.5(4) . . . . ? Cl1 Ru N5 C27 90.6(4) . . . . ? N4 Ru N5 C23 0.2(3) . . . . ? N2 Ru N5 C23 96.7(3) . . . . ? N3 Ru N5 C23 -1.8(6) . . . . ? N1 Ru N5 C23 174.2(3) . . . . ? Cl1 Ru N5 C23 -89.7(3) . . . . ? C7 O1 C1 C2 179.3(5) . . . . ? C7 O1 C1 C6 -1.0(5) . . . . ? C6 C1 C2 C3 2.1(8) . . . . ? O1 C1 C2 C3 -178.2(5) . . . . ? C1 C2 C3 C4 0.0(9) . . . . ? C2 C3 C4 C5 -1.8(9) . . . . ? C3 C4 C5 C6 1.4(8) . . . . ? C2 C1 C6 C5 -2.5(7) . . . . ? O1 C1 C6 C5 177.7(4) . . . . ? C2 C1 C6 N1 178.5(5) . . . . ? O1 C1 C6 N1 -1.2(5) . . . . ? C4 C5 C6 C1 0.6(7) . . . . ? C4 C5 C6 N1 179.3(5) . . . . ? C7 N1 C6 C1 3.0(5) . . . . ? Ru N1 C6 C1 179.5(3) . . . . ? C7 N1 C6 C5 -175.7(5) . . . . ? Ru N1 C6 C5 0.7(8) . . . . ? C6 N1 C7 O1 -3.9(5) . . . . ? Ru N1 C7 O1 178.4(3) . . . . ? C6 N1 C7 C8 171.7(4) . . . . ? Ru N1 C7 C8 -6.0(5) . . . . ? C1 O1 C7 N1 3.2(5) . . . . ? C1 O1 C7 C8 -172.4(4) . . . . ? C12 N2 C8 C9 1.4(6) . . . . ? Ru N2 C8 C9 -175.8(4) . . . . ? C12 N2 C8 C7 -173.2(4) . . . . ? Ru N2 C8 C7 9.5(4) . . . . ? N1 C7 C8 N2 -2.1(6) . . . . ? O1 C7 C8 N2 173.1(4) . . . . ? N1 C7 C8 C9 -176.6(4) . . . . ? O1 C7 C8 C9 -1.3(7) . . . . ? N2 C8 C9 C10 -0.1(7) . . . . ? C7 C8 C9 C10 173.7(5) . . . . ? C8 C9 C10 C11 -1.0(7) . . . . ? C9 C10 C11 C12 0.7(7) . . . . ? C8 N2 C12 C11 -1.8(7) . . . . ? Ru N2 C12 C11 175.2(3) . . . . ? C10 C11 C12 N2 0.7(7) . . . . ? C17 N3 C13 C14 -2.2(7) . . . . ? Ru N3 C13 C14 175.2(4) . . . . ? N3 C13 C14 C15 2.3(8) . . . . ? C13 C14 C15 C16 -1.0(8) . . . . ? C14 C15 C16 C17 -0.4(8) . . . . ? C13 N3 C17 C16 0.7(6) . . . . ? Ru N3 C17 C16 -177.1(3) . . . . ? C13 N3 C17 C18 178.4(4) . . . . ? Ru N3 C17 C18 0.7(5) . . . . ? C15 C16 C17 N3 0.6(7) . . . . ? C15 C16 C17 C18 -177.0(5) . . . . ? C22 N4 C18 C19 1.9(7) . . . . ? Ru N4 C18 C19 -178.9(4) . . . . ? C22 N4 C18 C17 -178.1(4) . . . . ? Ru N4 C18 C17 1.1(5) . . . . ? N3 C17 C18 N4 -1.1(5) . . . . ? C16 C17 C18 N4 176.5(4) . . . . ? N3 C17 C18 C19 178.8(5) . . . . ? C16 C17 C18 C19 -3.5(8) . . . . ? N4 C18 C19 C20 -1.5(7) . . . . ? C17 C18 C19 C20 178.5(5) . . . . ? C18 C19 C20 C21 0.5(8) . . . . ? C19 C20 C21 C22 0.1(8) . . . . ? C18 N4 C22 C21 -1.2(6) . . . . ? Ru N4 C22 C21 179.5(4) . . . . ? C18 N4 C22 C23 -179.9(4) . . . . ? Ru N4 C22 C23 0.9(5) . . . . ? C20 C21 C22 N4 0.2(7) . . . . ? C20 C21 C22 C23 178.6(5) . . . . ? C27 N5 C23 C24 -0.3(7) . . . . ? Ru N5 C23 C24 179.9(4) . . . . ? C27 N5 C23 C22 179.9(4) . . . . ? Ru N5 C23 C22 0.2(5) . . . . ? N4 C22 C23 N5 -0.7(6) . . . . ? C21 C22 C23 N5 -179.2(5) . . . . ? N4 C22 C23 C24 179.6(4) . . . . ? C21 C22 C23 C24 1.1(8) . . . . ? N5 C23 C24 C25 0.4(8) . . . . ? C22 C23 C24 C25 -179.9(5) . . . . ? C23 C24 C25 C26 -0.6(9) . . . . ? C24 C25 C26 C27 0.8(9) . . . . ? C23 N5 C27 C26 0.6(7) . . . . ? Ru N5 C27 C26 -179.8(4) . . . . ? C25 C26 C27 N5 -0.8(9) . . . . ? _diffrn_measured_fraction_theta_max 0.726 _diffrn_reflns_theta_full 24.93 _diffrn_measured_fraction_theta_full 0.726 _refine_diff_density_max 0.993 _refine_diff_density_min -0.588 _refine_diff_density_rms 0.073 #===end