# Electronic Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2013 ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # ####################################################################### data_Ru(bpy)(ptpn) _database_code_depnum_ccdc_archive 'CCDC 913056' #TrackingRef 'Rubpyptpn.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety '[Ru(bpy)(ptpn)][ClO~4~]~2' _chemical_formula_sum 'C45.67 H30 Cl2 N11.34 O8 Ru' _chemical_formula_weight 1037.45 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' 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 12.9546(6) _cell_length_b 13.7380(6) _cell_length_c 14.3046(7) _cell_angle_alpha 105.5690(10) _cell_angle_beta 110.5420(10) _cell_angle_gamma 100.1600(10) _cell_volume 2190.70(18) _cell_formula_units_Z 2 _cell_measurement_temperature 298(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description block _exptl_crystal_colour red _exptl_crystal_size_max 0.21 _exptl_crystal_size_mid 0.16 _exptl_crystal_size_min 0.15 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.573 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1051 _exptl_absorpt_coefficient_mu 0.550 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.8933 _exptl_absorpt_correction_T_max 0.9221 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 298(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 'Rigaku R-AXIS SPIDE IP' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 15951 _diffrn_reflns_av_R_equivalents 0.0579 _diffrn_reflns_av_sigmaI/netI 0.0774 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_theta_min 3.05 _diffrn_reflns_theta_max 26.00 _reflns_number_total 8363 _reflns_number_gt 5626 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'PROCESS-AUTO (Rigaku, 1998)' _computing_cell_refinement 'PROCESS-AUTO (Rigaku, 1998)' _computing_data_reduction 'PROCESS-AUTO (Rigaku, 1998)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _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^)+(0.1940P)^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 0.022(4) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 8363 _refine_ls_number_parameters 618 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1288 _refine_ls_R_factor_gt 0.0852 _refine_ls_wR_factor_ref 0.3111 _refine_ls_wR_factor_gt 0.2321 _refine_ls_goodness_of_fit_ref 1.181 _refine_ls_restrained_S_all 1.181 _refine_ls_shift/su_max 0.004 _refine_ls_shift/su_mean 0.001 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 Ru1 Ru 0.25497(5) 1.18526(4) 1.35873(4) 0.0481(3) Uani 1 1 d . . . Cl1 Cl 0.2629(2) 0.6730(3) 0.5736(2) 0.0970(9) Uani 1 1 d . . . Cl2 Cl 0.6205(3) 0.7668(3) 0.2019(2) 0.1057(10) Uani 1 1 d . . . O1 O 0.2264(7) 0.6487(8) 0.6492(7) 0.112(3) Uani 1 1 d . . . O2 O 0.3311(7) 0.6078(8) 0.5491(8) 0.118(3) Uani 1 1 d . . . O3 O 0.3434(9) 0.7828(9) 0.6204(9) 0.136(3) Uani 1 1 d . . . O4 O 0.1703(7) 0.6652(12) 0.4857(8) 0.176(6) Uani 1 1 d . . . O5 O 0.7250(10) 0.8242(12) 0.2914(11) 0.197(6) Uani 1 1 d . . . O6 O 0.5597(9) 0.6791(9) 0.2222(9) 0.157(5) Uani 1 1 d . . . O7 O 0.5475(13) 0.8363(11) 0.1913(12) 0.190(6) Uani 1 1 d . . . O8 O 0.6240(12) 0.7351(11) 0.1037(8) 0.171(5) Uani 1 1 d . . . N1 N 0.3412(5) 1.3052(5) 1.3280(5) 0.0503(14) Uani 1 1 d . . . N2 N 0.3076(5) 1.1013(4) 1.2506(4) 0.0459(13) Uani 1 1 d . . . N3 N 0.5612(6) 1.1560(5) 1.0790(6) 0.0626(17) Uani 1 1 d . . . N4 N 0.6228(6) 1.2217(5) 1.0507(6) 0.0621(16) Uani 1 1 d . . . N5 N 0.5690(5) 1.3678(5) 1.1337(5) 0.0531(14) Uani 1 1 d . . . N6 N 0.7376(6) 1.3493(5) 0.9798(5) 0.0602(16) Uani 1 1 d . . . N7 N 0.8734(7) 1.2723(6) 0.8814(7) 0.076(2) Uani 1 1 d . . . N8 N 0.3974(6) 1.1756(6) 1.4758(6) 0.0640(17) Uani 1 1 d . . . N9 N 0.1814(5) 1.0627(5) 1.3934(5) 0.0538(15) Uani 1 1 d . . . N10 N 0.1026(6) 1.1911(6) 1.2485(6) 0.0637(17) Uani 1 1 d . . . N11 N 0.2021(5) 1.2792(5) 1.4582(5) 0.0559(15) Uani 1 1 d . . . C1 C 0.9465(9) 1.2466(9) 0.8435(9) 0.090(3) Uani 1 1 d . . . H1 H 0.9608 1.1827 0.8443 0.108 Uiso 1 1 calc R . . C2 C 1.0048(10) 1.3039(10) 0.8025(9) 0.098(4) Uani 1 1 d . . . H2 H 1.0532 1.2781 0.7740 0.118 Uiso 1 1 calc R . . C3 C 0.9896(11) 1.3972(11) 0.8048(9) 0.106(4) Uani 1 1 d . . . H3 H 1.0295 1.4379 0.7787 0.127 Uiso 1 1 calc R . . C4 C 0.9139(8) 1.4374(8) 0.8460(7) 0.072(2) Uani 1 1 d . . . C5 C 0.8583(7) 1.3719(7) 0.8861(6) 0.0599(19) Uani 1 1 d . . . C6 C 0.7888(6) 1.4105(6) 0.9382(6) 0.0559(18) Uani 1 1 d . . . C7 C 0.7727(7) 1.5103(8) 0.9428(7) 0.069(2) Uani 1 1 d . . . C8 C 0.8305(9) 1.5742(9) 0.8978(9) 0.090(3) Uani 1 1 d . . . H8 H 0.8197 1.6396 0.8994 0.107 Uiso 1 1 calc R . . C9 C 0.8992(10) 1.5375(9) 0.8544(9) 0.093(3) Uani 1 1 d . . . H9 H 0.9381 1.5800 0.8290 0.112 Uiso 1 1 calc R . . C10 C 0.7089(8) 1.5499(7) 0.9946(8) 0.072(2) Uani 1 1 d . . . H10 H 0.7006 1.6168 1.0005 0.087 Uiso 1 1 calc R . . C11 C 0.6580(7) 1.4888(7) 1.0372(7) 0.064(2) Uani 1 1 d . . . H11 H 0.6127 1.5122 1.0710 0.077 Uiso 1 1 calc R . . C12 C 0.6763(6) 1.3902(6) 1.0284(6) 0.0571(18) Uani 1 1 d . . . C13 C 0.6178(6) 1.3208(6) 1.0726(6) 0.0541(17) Uani 1 1 d . . . C14 C 0.5008(6) 1.1932(6) 1.1322(6) 0.0539(17) Uani 1 1 d . . . C15 C 0.5092(6) 1.3022(6) 1.1637(6) 0.0520(17) Uani 1 1 d . . . C16 C 0.4540(6) 1.3448(6) 1.2311(6) 0.0499(16) Uani 1 1 d . . . C17 C 0.3912(6) 1.2738(6) 1.2607(6) 0.0532(17) Uani 1 1 d . . . C18 C 0.3769(6) 1.1617(5) 1.2226(5) 0.0462(15) Uani 1 1 d . . . C19 C 0.4309(6) 1.1202(6) 1.1581(6) 0.0484(16) Uani 1 1 d . . . C20 C 0.4103(7) 1.0112(6) 1.1211(6) 0.0553(18) Uani 1 1 d . . . H20 H 0.4446 0.9809 1.0783 0.066 Uiso 1 1 calc R . . C21 C 0.3399(7) 0.9485(6) 1.1474(6) 0.0552(18) Uani 1 1 d . . . H21 H 0.3257 0.8754 1.1233 0.066 Uiso 1 1 calc R . . C22 C 0.2896(6) 0.9962(6) 1.2113(6) 0.0519(16) Uani 1 1 d . . . H22 H 0.2404 0.9528 1.2278 0.062 Uiso 1 1 calc R . . C23 C 0.4592(7) 1.4509(6) 1.2678(7) 0.0610(19) Uani 1 1 d . . . H23 H 0.4966 1.4995 1.2469 0.073 Uiso 1 1 calc R . . C24 C 0.4086(7) 1.4827(7) 1.3351(7) 0.064(2) Uani 1 1 d . . . H24 H 0.4129 1.5537 1.3613 0.077 Uiso 1 1 calc R . . C25 C 0.3516(7) 1.4107(6) 1.3642(6) 0.0578(18) Uani 1 1 d . . . H25 H 0.3185 1.4347 1.4106 0.069 Uiso 1 1 calc R . . C26 C 0.5090(7) 1.2351(8) 1.5106(7) 0.064(2) Uani 1 1 d . . . H26 H 0.5247 1.2844 1.4801 0.077 Uiso 1 1 calc R . . C27 C 0.5979(8) 1.2238(9) 1.5890(8) 0.080(3) Uani 1 1 d . . . H27 H 0.6729 1.2666 1.6129 0.096 Uiso 1 1 calc R . . C28 C 0.5764(8) 1.1495(10) 1.6325(9) 0.089(3) Uani 1 1 d . . . H28 H 0.6363 1.1425 1.6872 0.107 Uiso 1 1 calc R . . C29 C 0.4660(9) 1.0855(9) 1.5945(8) 0.084(3) Uani 1 1 d . . . H29 H 0.4516 1.0330 1.6220 0.100 Uiso 1 1 calc R . . C30 C 0.3762(8) 1.0972(7) 1.5167(7) 0.065(2) Uani 1 1 d . . . C31 C 0.2522(7) 1.0340(7) 1.4678(7) 0.062(2) Uani 1 1 d . . . C32 C 0.2138(9) 0.9545(8) 1.5010(9) 0.082(3) Uani 1 1 d . . . H32 H 0.2663 0.9362 1.5518 0.099 Uiso 1 1 calc R . . C33 C 0.0997(10) 0.9038(9) 1.4589(9) 0.089(3) Uani 1 1 d . . . H33 H 0.0726 0.8502 1.4804 0.106 Uiso 1 1 calc R . . C34 C 0.0223(9) 0.9329(8) 1.3823(9) 0.083(3) Uani 1 1 d . . . H34 H -0.0570 0.9014 1.3544 0.100 Uiso 1 1 calc R . . C35 C 0.0674(7) 1.0095(7) 1.3498(8) 0.067(2) Uani 1 1 d . . . H35 H 0.0171 1.0253 1.2952 0.080 Uiso 1 1 calc R . . C36 C 0.0643(7) 1.1513(7) 1.1431(6) 0.066(2) Uani 1 1 d . . . H36 H 0.1058 1.1140 1.1140 0.079 Uiso 1 1 calc R . . C37 C -0.0355(7) 1.1631(7) 1.0745(7) 0.071(2) Uani 1 1 d . . . H37 H -0.0619 1.1319 1.0008 0.085 Uiso 1 1 calc R . . C38 C -0.0936(7) 1.2209(9) 1.1166(8) 0.080(3) Uani 1 1 d . . . H38 H -0.1583 1.2330 1.0723 0.097 Uiso 1 1 calc R . . C39 C -0.0551(7) 1.2616(7) 1.2264(7) 0.071(2) Uani 1 1 d . . . H39 H -0.0966 1.2977 1.2567 0.085 Uiso 1 1 calc R . . C40 C 0.0440(6) 1.2487(7) 1.2898(6) 0.0581(18) Uani 1 1 d . . . C41 C 0.0994(7) 1.2993(7) 1.4087(7) 0.062(2) Uani 1 1 d . . . C42 C 0.0526(9) 1.3592(9) 1.4666(8) 0.078(3) Uani 1 1 d . . . H42 H -0.0160 1.3726 1.4321 0.093 Uiso 1 1 calc R . . C43 C 0.1096(9) 1.3993(9) 1.5775(8) 0.084(3) Uani 1 1 d . . . H43 H 0.0784 1.4387 1.6181 0.101 Uiso 1 1 calc R . . C44 C 0.2111(9) 1.3808(8) 1.6267(8) 0.085(3) Uani 1 1 d . . . H44 H 0.2496 1.4072 1.7009 0.101 Uiso 1 1 calc R . . C45 C 0.2561(9) 1.3224(8) 1.5651(7) 0.076(2) Uani 1 1 d . . . H45 H 0.3270 1.3126 1.5994 0.091 Uiso 1 1 calc R . . C46 C -0.1994(19) 0.9444(19) 1.0968(18) 0.055(5) Uiso 0.33 1 d P . . C47 C -0.2593(19) 1.0007(18) 1.1509(18) 0.054(5) Uiso 0.33 1 d P . . H47A H -0.2881 1.0470 1.1156 0.081 Uiso 0.33 1 calc PR . . H47B H -0.2067 1.0417 1.2239 0.081 Uiso 0.33 1 calc PR . . H47C H -0.3227 0.9507 1.1489 0.081 Uiso 0.33 1 calc PR . . N1W N -0.1642(18) 0.8911(18) 1.0633(17) 0.065(5) Uiso 0.33 1 d P . . 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 0.0514(4) 0.0505(4) 0.0489(4) 0.0162(3) 0.0263(3) 0.0216(3) Cl1 0.0776(15) 0.142(3) 0.1009(19) 0.064(2) 0.0471(15) 0.0512(17) Cl2 0.129(2) 0.089(2) 0.0817(18) 0.0231(16) 0.0305(17) 0.0325(18) O1 0.102(5) 0.162(8) 0.117(6) 0.076(6) 0.070(5) 0.056(6) O2 0.116(6) 0.122(7) 0.153(8) 0.059(6) 0.082(6) 0.055(6) O3 0.154(8) 0.115(8) 0.145(8) 0.042(7) 0.078(7) 0.029(7) O4 0.086(6) 0.334(18) 0.107(7) 0.091(10) 0.031(5) 0.064(8) O5 0.123(8) 0.219(14) 0.178(11) 0.099(11) -0.005(8) -0.013(8) O6 0.133(8) 0.117(8) 0.164(9) 0.072(7) 0.010(7) -0.020(6) O7 0.240(14) 0.154(11) 0.222(14) 0.083(11) 0.108(13) 0.120(11) O8 0.219(12) 0.182(12) 0.103(7) 0.017(8) 0.078(8) 0.071(10) N1 0.049(3) 0.053(4) 0.050(3) 0.012(3) 0.021(3) 0.024(3) N2 0.054(3) 0.038(3) 0.041(3) 0.010(2) 0.019(2) 0.013(2) N3 0.086(4) 0.051(4) 0.080(4) 0.028(3) 0.059(4) 0.030(3) N4 0.078(4) 0.053(4) 0.071(4) 0.019(3) 0.049(4) 0.023(3) N5 0.061(3) 0.053(4) 0.061(4) 0.024(3) 0.038(3) 0.020(3) N6 0.065(4) 0.061(4) 0.065(4) 0.025(3) 0.038(3) 0.019(3) N7 0.083(5) 0.072(5) 0.082(5) 0.019(4) 0.052(4) 0.020(4) N8 0.083(5) 0.068(4) 0.063(4) 0.026(3) 0.046(4) 0.040(4) N9 0.042(3) 0.060(4) 0.058(3) 0.012(3) 0.024(3) 0.019(3) N10 0.076(4) 0.064(4) 0.069(4) 0.026(4) 0.044(4) 0.030(3) N11 0.057(3) 0.054(4) 0.053(3) 0.008(3) 0.026(3) 0.018(3) C1 0.099(7) 0.085(7) 0.103(8) 0.020(6) 0.073(6) 0.027(6) C2 0.102(8) 0.087(8) 0.104(8) 0.004(6) 0.074(7) 0.009(6) C3 0.116(9) 0.104(10) 0.091(8) 0.013(7) 0.073(7) -0.008(7) C4 0.074(5) 0.085(7) 0.058(5) 0.022(5) 0.039(4) 0.007(5) C5 0.060(4) 0.066(5) 0.046(4) 0.015(4) 0.024(3) 0.006(4) C6 0.056(4) 0.056(5) 0.051(4) 0.019(4) 0.022(3) 0.004(3) C7 0.066(5) 0.076(6) 0.071(5) 0.034(5) 0.031(4) 0.023(4) C8 0.105(7) 0.091(8) 0.114(8) 0.068(7) 0.067(7) 0.031(6) C9 0.102(7) 0.098(9) 0.104(8) 0.059(7) 0.061(7) 0.015(6) C10 0.083(6) 0.059(5) 0.086(6) 0.031(5) 0.038(5) 0.031(4) C11 0.069(5) 0.065(5) 0.069(5) 0.030(4) 0.034(4) 0.029(4) C12 0.060(4) 0.056(5) 0.059(4) 0.021(4) 0.027(4) 0.020(4) C13 0.061(4) 0.059(5) 0.056(4) 0.025(4) 0.035(4) 0.022(4) C14 0.062(4) 0.053(4) 0.054(4) 0.017(3) 0.033(4) 0.023(3) C15 0.060(4) 0.055(4) 0.054(4) 0.021(3) 0.034(3) 0.024(3) C16 0.056(4) 0.049(4) 0.052(4) 0.021(3) 0.029(3) 0.017(3) C17 0.055(4) 0.048(4) 0.054(4) 0.013(3) 0.020(3) 0.025(3) C18 0.054(4) 0.047(4) 0.041(3) 0.015(3) 0.021(3) 0.018(3) C19 0.053(4) 0.049(4) 0.053(4) 0.020(3) 0.031(3) 0.019(3) C20 0.072(5) 0.056(5) 0.058(4) 0.022(4) 0.044(4) 0.030(4) C21 0.071(5) 0.050(4) 0.055(4) 0.017(3) 0.034(4) 0.030(4) C22 0.062(4) 0.051(4) 0.047(4) 0.018(3) 0.026(3) 0.019(3) C23 0.074(5) 0.048(4) 0.069(5) 0.018(4) 0.041(4) 0.021(4) C24 0.080(5) 0.052(5) 0.074(5) 0.018(4) 0.044(4) 0.030(4) C25 0.074(5) 0.041(4) 0.066(5) 0.013(3) 0.041(4) 0.020(3) C26 0.051(4) 0.090(6) 0.064(5) 0.040(5) 0.022(4) 0.034(4) C27 0.064(5) 0.086(7) 0.074(6) 0.011(5) 0.024(5) 0.025(5) C28 0.063(5) 0.116(9) 0.093(7) 0.055(7) 0.019(5) 0.039(6) C29 0.088(7) 0.090(7) 0.077(6) 0.037(5) 0.025(5) 0.043(6) C30 0.098(6) 0.062(5) 0.059(5) 0.031(4) 0.042(5) 0.045(5) C31 0.064(5) 0.063(5) 0.071(5) 0.022(4) 0.039(4) 0.026(4) C32 0.100(7) 0.081(7) 0.093(7) 0.047(6) 0.054(6) 0.037(6) C33 0.118(8) 0.082(7) 0.099(8) 0.048(6) 0.070(7) 0.032(6) C34 0.090(6) 0.060(6) 0.094(7) 0.007(5) 0.056(6) 0.006(5) C35 0.072(5) 0.070(6) 0.076(5) 0.028(5) 0.050(5) 0.019(4) C36 0.066(5) 0.067(5) 0.055(5) 0.009(4) 0.026(4) 0.017(4) C37 0.074(5) 0.073(6) 0.055(5) 0.025(4) 0.013(4) 0.026(4) C38 0.053(5) 0.100(8) 0.080(6) 0.037(6) 0.012(4) 0.030(5) C39 0.061(5) 0.074(6) 0.074(6) 0.021(5) 0.024(4) 0.027(4) C40 0.060(4) 0.070(5) 0.057(4) 0.029(4) 0.029(4) 0.027(4) C41 0.054(4) 0.061(5) 0.076(5) 0.022(4) 0.034(4) 0.023(4) C42 0.088(6) 0.094(7) 0.082(6) 0.034(6) 0.057(5) 0.052(6) C43 0.083(6) 0.104(8) 0.078(6) 0.017(6) 0.051(5) 0.043(6) C44 0.092(7) 0.092(7) 0.070(6) 0.014(5) 0.041(5) 0.040(6) C45 0.087(6) 0.092(7) 0.063(5) 0.026(5) 0.042(5) 0.042(5) _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 N11 2.042(6) . ? Ru1 N9 2.050(7) . ? Ru1 N1 2.059(7) . ? Ru1 N2 2.061(6) . ? Ru1 N8 2.065(7) . ? Ru1 N10 2.081(7) . ? Cl1 O4 1.362(9) . ? Cl1 O1 1.416(8) . ? Cl1 O2 1.425(8) . ? Cl1 O3 1.491(11) . ? Cl2 O8 1.374(10) . ? Cl2 O5 1.400(11) . ? Cl2 O7 1.457(11) . ? Cl2 O6 1.473(10) . ? N1 C17 1.358(9) . ? N1 C25 1.367(9) . ? N2 C22 1.344(9) . ? N2 C18 1.350(9) . ? N3 N4 1.335(9) . ? N3 C14 1.342(9) . ? N4 C13 1.332(10) . ? N5 C15 1.339(9) . ? N5 C13 1.346(9) . ? N6 C12 1.328(10) . ? N6 C6 1.360(10) . ? N7 C1 1.301(11) . ? N7 C5 1.403(12) . ? N8 C26 1.366(11) . ? N8 C30 1.386(11) . ? N9 C31 1.341(10) . ? N9 C35 1.353(10) . ? N10 C36 1.325(10) . ? N10 C40 1.351(10) . ? N11 C45 1.341(11) . ? N11 C41 1.386(10) . ? C1 C2 1.373(14) . ? C1 H1 0.9300 . ? C2 C3 1.325(17) . ? C2 H2 0.9300 . ? C3 C4 1.426(15) . ? C3 H3 0.9300 . ? C4 C9 1.401(14) . ? C4 C5 1.412(11) . ? C5 C6 1.440(12) . ? C6 C7 1.411(12) . ? C7 C10 1.378(12) . ? C7 C8 1.467(12) . ? C8 C9 1.346(15) . ? C8 H8 0.9300 . ? C9 H9 0.9300 . ? C10 C11 1.368(12) . ? C10 H10 0.9300 . ? C11 C12 1.395(11) . ? C11 H11 0.9300 . ? C12 C13 1.513(10) . ? C14 C15 1.415(11) . ? C14 C19 1.441(10) . ? C15 C16 1.452(10) . ? C16 C23 1.391(10) . ? C16 C17 1.405(10) . ? C17 C18 1.443(10) . ? C18 C19 1.407(9) . ? C19 C20 1.388(10) . ? C20 C21 1.362(11) . ? C20 H20 0.9300 . ? C21 C22 1.392(10) . ? C21 H21 0.9300 . ? C22 H22 0.9300 . ? C23 C24 1.365(11) . ? C23 H23 0.9300 . ? C24 C25 1.369(11) . ? C24 H24 0.9300 . ? C25 H25 0.9300 . ? C26 C27 1.362(12) . ? C26 H26 0.9300 . ? C27 C28 1.366(14) . ? C27 H27 0.9300 . ? C28 C29 1.368(15) . ? C28 H28 0.9300 . ? C29 C30 1.367(12) . ? C29 H29 0.9300 . ? C30 C31 1.489(12) . ? C31 C32 1.384(12) . ? C32 C33 1.350(15) . ? C32 H32 0.9300 . ? C33 C34 1.403(14) . ? C33 H33 0.9300 . ? C34 C35 1.379(13) . ? C34 H34 0.9300 . ? C35 H35 0.9300 . ? C36 C37 1.389(11) . ? C36 H36 0.9300 . ? C37 C38 1.353(13) . ? C37 H37 0.9300 . ? C38 C39 1.382(13) . ? C38 H38 0.9300 . ? C39 C40 1.361(11) . ? C39 H39 0.9300 . ? C40 C41 1.491(12) . ? C41 C42 1.376(11) . ? C42 C43 1.390(14) . ? C42 H42 0.9300 . ? C43 C44 1.361(13) . ? C43 H43 0.9300 . ? C44 C45 1.380(12) . ? C44 H44 0.9300 . ? C45 H45 0.9300 . ? C46 N1W 1.03(3) . ? C46 C47 1.45(3) . ? C47 H47A 0.9600 . ? C47 H47B 0.9600 . ? C47 H47C 0.9600 . ? 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 N11 Ru1 N9 86.4(3) . . ? N11 Ru1 N1 96.3(3) . . ? N9 Ru1 N1 175.3(2) . . ? N11 Ru1 N2 174.2(2) . . ? N9 Ru1 N2 98.8(2) . . ? N1 Ru1 N2 78.7(2) . . ? N11 Ru1 N8 97.3(3) . . ? N9 Ru1 N8 78.6(3) . . ? N1 Ru1 N8 97.2(3) . . ? N2 Ru1 N8 86.3(2) . . ? N11 Ru1 N10 79.2(3) . . ? N9 Ru1 N10 96.9(3) . . ? N1 Ru1 N10 87.4(2) . . ? N2 Ru1 N10 97.5(2) . . ? N8 Ru1 N10 174.6(2) . . ? O4 Cl1 O1 110.3(5) . . ? O4 Cl1 O2 113.3(7) . . ? O1 Cl1 O2 109.9(5) . . ? O4 Cl1 O3 108.5(8) . . ? O1 Cl1 O3 110.7(6) . . ? O2 Cl1 O3 103.9(6) . . ? O8 Cl2 O5 117.5(9) . . ? O8 Cl2 O7 102.9(8) . . ? O5 Cl2 O7 107.6(10) . . ? O8 Cl2 O6 112.7(9) . . ? O5 Cl2 O6 109.2(7) . . ? O7 Cl2 O6 105.9(8) . . ? C17 N1 C25 116.5(7) . . ? C17 N1 Ru1 115.1(5) . . ? C25 N1 Ru1 128.3(5) . . ? C22 N2 C18 116.4(6) . . ? C22 N2 Ru1 128.8(5) . . ? C18 N2 Ru1 114.6(4) . . ? N4 N3 C14 119.1(6) . . ? C13 N4 N3 118.4(6) . . ? C15 N5 C13 114.3(6) . . ? C12 N6 C6 116.7(7) . . ? C1 N7 C5 116.0(8) . . ? C26 N8 C30 118.5(7) . . ? C26 N8 Ru1 125.5(5) . . ? C30 N8 Ru1 115.9(6) . . ? C31 N9 C35 116.8(7) . . ? C31 N9 Ru1 117.1(5) . . ? C35 N9 Ru1 126.1(6) . . ? C36 N10 C40 118.1(7) . . ? C36 N10 Ru1 125.7(6) . . ? C40 N10 Ru1 115.9(6) . . ? C45 N11 C41 117.5(7) . . ? C45 N11 Ru1 126.7(6) . . ? C41 N11 Ru1 115.8(5) . . ? N7 C1 C2 126.7(11) . . ? N7 C1 H1 116.6 . . ? C2 C1 H1 116.6 . . ? C3 C2 C1 117.6(10) . . ? C3 C2 H2 121.2 . . ? C1 C2 H2 121.2 . . ? C2 C3 C4 122.2(10) . . ? C2 C3 H3 118.9 . . ? C4 C3 H3 118.9 . . ? C9 C4 C5 120.4(8) . . ? C9 C4 C3 124.0(9) . . ? C5 C4 C3 115.5(10) . . ? N7 C5 C4 121.9(8) . . ? N7 C5 C6 118.9(7) . . ? C4 C5 C6 119.2(8) . . ? N6 C6 C7 121.1(7) . . ? N6 C6 C5 119.7(8) . . ? C7 C6 C5 119.2(7) . . ? C10 C7 C6 120.1(8) . . ? C10 C7 C8 120.5(9) . . ? C6 C7 C8 119.3(8) . . ? C9 C8 C7 119.7(10) . . ? C9 C8 H8 120.2 . . ? C7 C8 H8 120.2 . . ? C8 C9 C4 122.1(9) . . ? C8 C9 H9 118.9 . . ? C4 C9 H9 118.9 . . ? C11 C10 C7 118.8(8) . . ? C11 C10 H10 120.6 . . ? C7 C10 H10 120.6 . . ? C10 C11 C12 117.9(8) . . ? C10 C11 H11 121.0 . . ? C12 C11 H11 121.0 . . ? N6 C12 C11 125.3(7) . . ? N6 C12 C13 116.3(7) . . ? C11 C12 C13 118.4(7) . . ? N4 C13 N5 126.6(7) . . ? N4 C13 C12 117.7(6) . . ? N5 C13 C12 115.7(7) . . ? N3 C14 C15 119.9(7) . . ? N3 C14 C19 118.3(7) . . ? C15 C14 C19 121.8(6) . . ? N5 C15 C14 121.0(6) . . ? N5 C15 C16 118.9(7) . . ? C14 C15 C16 120.0(7) . . ? C23 C16 C17 118.0(7) . . ? C23 C16 C15 124.3(7) . . ? C17 C16 C15 117.7(7) . . ? N1 C17 C16 123.0(7) . . ? N1 C17 C18 115.0(7) . . ? C16 C17 C18 121.9(7) . . ? N2 C18 C19 123.3(6) . . ? N2 C18 C17 116.0(6) . . ? C19 C18 C17 120.6(7) . . ? C20 C19 C18 117.7(6) . . ? C20 C19 C14 124.5(6) . . ? C18 C19 C14 117.8(6) . . ? C21 C20 C19 120.1(6) . . ? C21 C20 H20 120.0 . . ? C19 C20 H20 120.0 . . ? C20 C21 C22 118.5(7) . . ? C20 C21 H21 120.7 . . ? C22 C21 H21 120.7 . . ? N2 C22 C21 124.0(7) . . ? N2 C22 H22 118.0 . . ? C21 C22 H22 118.0 . . ? C24 C23 C16 119.1(7) . . ? C24 C23 H23 120.5 . . ? C16 C23 H23 120.5 . . ? C23 C24 C25 120.4(8) . . ? C23 C24 H24 119.8 . . ? C25 C24 H24 119.8 . . ? N1 C25 C24 122.8(7) . . ? N1 C25 H25 118.6 . . ? C24 C25 H25 118.6 . . ? C27 C26 N8 121.6(9) . . ? C27 C26 H26 119.2 . . ? N8 C26 H26 119.2 . . ? C26 C27 C28 119.8(9) . . ? C26 C27 H27 120.1 . . ? C28 C27 H27 120.1 . . ? C27 C28 C29 119.3(9) . . ? C27 C28 H28 120.4 . . ? C29 C28 H28 120.4 . . ? C30 C29 C28 121.1(10) . . ? C30 C29 H29 119.4 . . ? C28 C29 H29 119.4 . . ? C29 C30 N8 119.5(9) . . ? C29 C30 C31 127.2(9) . . ? N8 C30 C31 113.3(7) . . ? N9 C31 C32 123.2(8) . . ? N9 C31 C30 115.1(7) . . ? C32 C31 C30 121.6(8) . . ? C33 C32 C31 119.4(9) . . ? C33 C32 H32 120.3 . . ? C31 C32 H32 120.3 . . ? C32 C33 C34 119.1(9) . . ? C32 C33 H33 120.4 . . ? C34 C33 H33 120.4 . . ? C35 C34 C33 118.1(9) . . ? C35 C34 H34 121.0 . . ? C33 C34 H34 121.0 . . ? N9 C35 C34 123.2(9) . . ? N9 C35 H35 118.4 . . ? C34 C35 H35 118.4 . . ? N10 C36 C37 122.5(8) . . ? N10 C36 H36 118.8 . . ? C37 C36 H36 118.8 . . ? C38 C37 C36 118.9(8) . . ? C38 C37 H37 120.5 . . ? C36 C37 H37 120.5 . . ? C37 C38 C39 118.9(8) . . ? C37 C38 H38 120.5 . . ? C39 C38 H38 120.5 . . ? C40 C39 C38 119.5(8) . . ? C40 C39 H39 120.3 . . ? C38 C39 H39 120.3 . . ? N10 C40 C39 121.9(8) . . ? N10 C40 C41 114.5(6) . . ? C39 C40 C41 123.6(7) . . ? C42 C41 N11 121.7(8) . . ? C42 C41 C40 123.7(7) . . ? N11 C41 C40 114.6(6) . . ? C41 C42 C43 118.8(8) . . ? C41 C42 H42 120.6 . . ? C43 C42 H42 120.6 . . ? C44 C43 C42 119.9(8) . . ? C44 C43 H43 120.1 . . ? C42 C43 H43 120.1 . . ? C43 C44 C45 119.2(9) . . ? C43 C44 H44 120.4 . . ? C45 C44 H44 120.4 . . ? N11 C45 C44 122.9(9) . . ? N11 C45 H45 118.6 . . ? C44 C45 H45 118.6 . . ? N1W C46 C47 167(3) . . ? C46 C47 H47A 109.5 . . ? C46 C47 H47B 109.5 . . ? H47A C47 H47B 109.5 . . ? C46 C47 H47C 109.5 . . ? H47A C47 H47C 109.5 . . ? H47B C47 H47C 109.5 . . ? 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 N11 Ru1 N1 C17 -179.6(5) . . . . ? N9 Ru1 N1 C17 56(3) . . . . ? N2 Ru1 N1 C17 -2.6(5) . . . . ? N8 Ru1 N1 C17 82.1(5) . . . . ? N10 Ru1 N1 C17 -100.8(5) . . . . ? N11 Ru1 N1 C25 -1.6(7) . . . . ? N9 Ru1 N1 C25 -126(3) . . . . ? N2 Ru1 N1 C25 175.5(7) . . . . ? N8 Ru1 N1 C25 -99.8(6) . . . . ? N10 Ru1 N1 C25 77.2(6) . . . . ? N11 Ru1 N2 C22 -150(2) . . . . ? N9 Ru1 N2 C22 4.1(6) . . . . ? N1 Ru1 N2 C22 -179.9(6) . . . . ? N8 Ru1 N2 C22 82.0(6) . . . . ? N10 Ru1 N2 C22 -94.1(6) . . . . ? N11 Ru1 N2 C18 36(2) . . . . ? N9 Ru1 N2 C18 -170.3(5) . . . . ? N1 Ru1 N2 C18 5.7(4) . . . . ? N8 Ru1 N2 C18 -92.4(5) . . . . ? N10 Ru1 N2 C18 91.5(5) . . . . ? C14 N3 N4 C13 -2.8(12) . . . . ? N11 Ru1 N8 C26 -98.6(7) . . . . ? N9 Ru1 N8 C26 176.6(7) . . . . ? N1 Ru1 N8 C26 -1.3(7) . . . . ? N2 Ru1 N8 C26 76.8(7) . . . . ? N10 Ru1 N8 C26 -149(2) . . . . ? N11 Ru1 N8 C30 85.4(6) . . . . ? N9 Ru1 N8 C30 0.6(5) . . . . ? N1 Ru1 N8 C30 -177.3(5) . . . . ? N2 Ru1 N8 C30 -99.2(5) . . . . ? N10 Ru1 N8 C30 35(3) . . . . ? N11 Ru1 N9 C31 -99.0(6) . . . . ? N1 Ru1 N9 C31 26(3) . . . . ? N2 Ru1 N9 C31 83.6(6) . . . . ? N8 Ru1 N9 C31 -0.8(5) . . . . ? N10 Ru1 N9 C31 -177.7(5) . . . . ? N11 Ru1 N9 C35 79.5(7) . . . . ? N1 Ru1 N9 C35 -156(2) . . . . ? N2 Ru1 N9 C35 -97.9(7) . . . . ? N8 Ru1 N9 C35 177.7(7) . . . . ? N10 Ru1 N9 C35 0.8(7) . . . . ? N11 Ru1 N10 C36 173.7(8) . . . . ? N9 Ru1 N10 C36 -101.3(7) . . . . ? N1 Ru1 N10 C36 76.8(8) . . . . ? N2 Ru1 N10 C36 -1.4(8) . . . . ? N8 Ru1 N10 C36 -136(2) . . . . ? N11 Ru1 N10 C40 -0.3(6) . . . . ? N9 Ru1 N10 C40 84.7(6) . . . . ? N1 Ru1 N10 C40 -97.2(6) . . . . ? N2 Ru1 N10 C40 -175.5(6) . . . . ? N8 Ru1 N10 C40 50(3) . . . . ? N9 Ru1 N11 C45 82.2(8) . . . . ? N1 Ru1 N11 C45 -94.0(8) . . . . ? N2 Ru1 N11 C45 -124(2) . . . . ? N8 Ru1 N11 C45 4.1(8) . . . . ? N10 Ru1 N11 C45 179.9(8) . . . . ? N9 Ru1 N11 C41 -97.5(6) . . . . ? N1 Ru1 N11 C41 86.3(6) . . . . ? N2 Ru1 N11 C41 56(2) . . . . ? N8 Ru1 N11 C41 -175.5(6) . . . . ? N10 Ru1 N11 C41 0.2(6) . . . . ? C5 N7 C1 C2 -4.0(17) . . . . ? N7 C1 C2 C3 3(2) . . . . ? C1 C2 C3 C4 -1.3(19) . . . . ? C2 C3 C4 C9 177.0(12) . . . . ? C2 C3 C4 C5 1.2(17) . . . . ? C1 N7 C5 C4 3.7(13) . . . . ? C1 N7 C5 C6 -173.0(9) . . . . ? C9 C4 C5 N7 -178.4(9) . . . . ? C3 C4 C5 N7 -2.4(13) . . . . ? C9 C4 C5 C6 -1.7(13) . . . . ? C3 C4 C5 C6 174.3(8) . . . . ? C12 N6 C6 C7 -2.8(11) . . . . ? C12 N6 C6 C5 178.9(7) . . . . ? N7 C5 C6 N6 -1.3(11) . . . . ? C4 C5 C6 N6 -178.1(7) . . . . ? N7 C5 C6 C7 -179.7(8) . . . . ? C4 C5 C6 C7 3.5(12) . . . . ? N6 C6 C7 C10 3.3(13) . . . . ? C5 C6 C7 C10 -178.4(8) . . . . ? N6 C6 C7 C8 179.4(8) . . . . ? C5 C6 C7 C8 -2.2(12) . . . . ? C10 C7 C8 C9 175.2(11) . . . . ? C6 C7 C8 C9 -0.9(15) . . . . ? C7 C8 C9 C4 2.9(18) . . . . ? C5 C4 C9 C8 -1.6(17) . . . . ? C3 C4 C9 C8 -177.2(11) . . . . ? C6 C7 C10 C11 -2.7(14) . . . . ? C8 C7 C10 C11 -178.8(9) . . . . ? C7 C10 C11 C12 1.7(13) . . . . ? C6 N6 C12 C11 1.9(12) . . . . ? C6 N6 C12 C13 178.9(6) . . . . ? C10 C11 C12 N6 -1.4(13) . . . . ? C10 C11 C12 C13 -178.3(7) . . . . ? N3 N4 C13 N5 9.7(13) . . . . ? N3 N4 C13 C12 -172.8(7) . . . . ? C15 N5 C13 N4 -8.0(12) . . . . ? C15 N5 C13 C12 174.4(6) . . . . ? N6 C12 C13 N4 -6.3(11) . . . . ? C11 C12 C13 N4 170.9(8) . . . . ? N6 C12 C13 N5 171.5(7) . . . . ? C11 C12 C13 N5 -11.3(11) . . . . ? N4 N3 C14 C15 -4.2(12) . . . . ? N4 N3 C14 C19 177.4(7) . . . . ? C13 N5 C15 C14 0.2(11) . . . . ? C13 N5 C15 C16 179.3(7) . . . . ? N3 C14 C15 N5 5.7(12) . . . . ? C19 C14 C15 N5 -176.0(7) . . . . ? N3 C14 C15 C16 -173.4(7) . . . . ? C19 C14 C15 C16 4.9(11) . . . . ? N5 C15 C16 C23 -0.4(12) . . . . ? C14 C15 C16 C23 178.7(8) . . . . ? N5 C15 C16 C17 179.5(6) . . . . ? C14 C15 C16 C17 -1.4(11) . . . . ? C25 N1 C17 C16 2.0(10) . . . . ? Ru1 N1 C17 C16 -179.7(5) . . . . ? C25 N1 C17 C18 -179.0(6) . . . . ? Ru1 N1 C17 C18 -0.7(8) . . . . ? C23 C16 C17 N1 -3.8(11) . . . . ? C15 C16 C17 N1 176.3(6) . . . . ? C23 C16 C17 C18 177.3(7) . . . . ? C15 C16 C17 C18 -2.6(10) . . . . ? C22 N2 C18 C19 -1.5(10) . . . . ? Ru1 N2 C18 C19 173.7(5) . . . . ? C22 N2 C18 C17 177.0(6) . . . . ? Ru1 N2 C18 C17 -7.8(7) . . . . ? N1 C17 C18 N2 5.7(9) . . . . ? C16 C17 C18 N2 -175.3(6) . . . . ? N1 C17 C18 C19 -175.8(6) . . . . ? C16 C17 C18 C19 3.2(10) . . . . ? N2 C18 C19 C20 0.6(10) . . . . ? C17 C18 C19 C20 -177.8(7) . . . . ? N2 C18 C19 C14 178.7(6) . . . . ? C17 C18 C19 C14 0.3(10) . . . . ? N3 C14 C19 C20 -8.0(11) . . . . ? C15 C14 C19 C20 173.6(7) . . . . ? N3 C14 C19 C18 174.0(7) . . . . ? C15 C14 C19 C18 -4.4(11) . . . . ? C18 C19 C20 C21 0.1(11) . . . . ? C14 C19 C20 C21 -177.9(7) . . . . ? C19 C20 C21 C22 0.2(11) . . . . ? C18 N2 C22 C21 1.8(10) . . . . ? Ru1 N2 C22 C21 -172.6(5) . . . . ? C20 C21 C22 N2 -1.2(11) . . . . ? C17 C16 C23 C24 3.3(12) . . . . ? C15 C16 C23 C24 -176.8(7) . . . . ? C16 C23 C24 C25 -1.3(13) . . . . ? C17 N1 C25 C24 0.2(11) . . . . ? Ru1 N1 C25 C24 -177.8(6) . . . . ? C23 C24 C25 N1 -0.5(13) . . . . ? C30 N8 C26 C27 -4.5(12) . . . . ? Ru1 N8 C26 C27 179.6(6) . . . . ? N8 C26 C27 C28 1.9(14) . . . . ? C26 C27 C28 C29 1.6(16) . . . . ? C27 C28 C29 C30 -2.4(17) . . . . ? C28 C29 C30 N8 -0.2(14) . . . . ? C28 C29 C30 C31 -180.0(10) . . . . ? C26 N8 C30 C29 3.6(12) . . . . ? Ru1 N8 C30 C29 179.9(7) . . . . ? C26 N8 C30 C31 -176.6(7) . . . . ? Ru1 N8 C30 C31 -0.3(8) . . . . ? C35 N9 C31 C32 -0.4(12) . . . . ? Ru1 N9 C31 C32 178.3(7) . . . . ? C35 N9 C31 C30 -177.8(7) . . . . ? Ru1 N9 C31 C30 0.9(9) . . . . ? C29 C30 C31 N9 179.4(8) . . . . ? N8 C30 C31 N9 -0.4(10) . . . . ? C29 C30 C31 C32 2.0(14) . . . . ? N8 C30 C31 C32 -177.8(8) . . . . ? N9 C31 C32 C33 -1.3(15) . . . . ? C30 C31 C32 C33 175.9(9) . . . . ? C31 C32 C33 C34 0.0(16) . . . . ? C32 C33 C34 C35 2.8(15) . . . . ? C31 N9 C35 C34 3.5(12) . . . . ? Ru1 N9 C35 C34 -175.0(7) . . . . ? C33 C34 C35 N9 -4.8(14) . . . . ? C40 N10 C36 C37 -2.6(13) . . . . ? Ru1 N10 C36 C37 -176.5(6) . . . . ? N10 C36 C37 C38 2.6(14) . . . . ? C36 C37 C38 C39 -3.3(15) . . . . ? C37 C38 C39 C40 4.1(16) . . . . ? C36 N10 C40 C39 3.4(13) . . . . ? Ru1 N10 C40 C39 177.9(7) . . . . ? C36 N10 C40 C41 -174.2(8) . . . . ? Ru1 N10 C40 C41 0.3(9) . . . . ? C38 C39 C40 N10 -4.2(14) . . . . ? C38 C39 C40 C41 173.2(9) . . . . ? C45 N11 C41 C42 -1.4(13) . . . . ? Ru1 N11 C41 C42 178.3(7) . . . . ? C45 N11 C41 C40 -179.9(8) . . . . ? Ru1 N11 C41 C40 -0.2(9) . . . . ? N10 C40 C41 C42 -178.5(8) . . . . ? C39 C40 C41 C42 3.9(14) . . . . ? N10 C40 C41 N11 -0.1(11) . . . . ? C39 C40 C41 N11 -177.7(8) . . . . ? N11 C41 C42 C43 -0.8(15) . . . . ? C40 C41 C42 C43 177.6(9) . . . . ? C41 C42 C43 C44 1.4(17) . . . . ? C42 C43 C44 C45 0.2(17) . . . . ? C41 N11 C45 C44 3.1(15) . . . . ? Ru1 N11 C45 C44 -176.6(8) . . . . ? C43 C44 C45 N11 -2.5(17) . . . . ? _diffrn_measured_fraction_theta_max 0.972 _diffrn_reflns_theta_full 26.00 _diffrn_measured_fraction_theta_full 0.972 _refine_diff_density_max 1.385 _refine_diff_density_min -0.970 _refine_diff_density_rms 0.225