# Supplementary Material (ESI) for Chemical Communications # This journal is (c) The Royal Society of Chemistry 2007 data_global _journal_coden_Cambridge 182 loop_ _publ_author_name 'van Koten, G.' 'Klaas Bakker' 'Jan Kroon' 'Martin Lutz' 'A. Spek' 'van Klink, G.P.M.' 'Sipke H. Wadman' _publ_contact_author_name 'Gerard van Koten' _publ_contact_author_address ; Organic Chemistry and Catalysis University of Utrecht Padualaan 8 Utrecht 3584 CH NETHERLANDS ; _publ_contact_author_email G.VANKOTEN@UU.NL _publ_requested_journal 'Chemical Communications' _publ_section_title ; Cyclometalated ruthenium complexes for sensitizing nanocrystalline TiO2 solar cells ; data_s3605a _database_code_depnum_ccdc_archive 'CCDC 640013' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C64 H43 N10 O4 Ru2, F6 P, 3(C2 H3 N)' _chemical_formula_sum 'C70 H52 F6 N13 O4 P Ru2' _chemical_formula_weight 1486.36 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' F F 0.0171 0.0103 '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' P P 0.1023 0.0942 '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' _symmetry_space_group_name_Hall '-P 1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 9.5350(1) _cell_length_b 15.4639(2) _cell_length_c 21.5139(3) _cell_angle_alpha 97.2304(4) _cell_angle_beta 96.0597(5) _cell_angle_gamma 92.7702(6) _cell_volume 3123.27(7) _cell_formula_units_Z 2 _cell_measurement_temperature 110(2) _cell_measurement_reflns_used 75340 _cell_measurement_theta_min 1.02 _cell_measurement_theta_max 27.48 _exptl_crystal_description needle _exptl_crystal_colour 'dark red' _exptl_crystal_size_max 0.30 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.06 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.580 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1504 _exptl_absorpt_coefficient_mu 0.590 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.94 _exptl_absorpt_correction_T_max 0.97 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 110(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'rotating anode' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Nonius KappaCCD' _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 57455 _diffrn_reflns_av_R_equivalents 0.0477 _diffrn_reflns_av_sigmaI/netI 0.0429 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -27 _diffrn_reflns_limit_l_max 27 _diffrn_reflns_theta_min 1.33 _diffrn_reflns_theta_max 27.44 _reflns_number_total 14126 _reflns_number_gt 11215 _reflns_threshold_expression I>2\s(I) _computing_data_collection 'Nonius COLLECT' _computing_cell_refinement HKL2000 _computing_data_reduction 'HKL2000, Sortav' _computing_structure_solution 'DIRDIF-99 (Beurskens et al., 1999)' _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^)+(0.0414P)^2^+3.2366P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary heavy _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 14126 _refine_ls_number_parameters 941 _refine_ls_number_restraints 447 _refine_ls_R_factor_all 0.0500 _refine_ls_R_factor_gt 0.0362 _refine_ls_wR_factor_ref 0.0955 _refine_ls_wR_factor_gt 0.0878 _refine_ls_goodness_of_fit_ref 1.035 _refine_ls_restrained_S_all 1.245 _refine_ls_shift/su_max 0.011 _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 Ru1 Ru 0.53306(2) 0.328775(15) 0.234129(11) 0.01730(7) Uani 1 1 d . . . O11 O 0.4823(2) 0.04378(14) 0.45599(10) 0.0273(5) Uani 1 1 d . . . H11O H 0.4932 0.0181 0.4882 0.050 Uiso 0.50 1 d P . . O12 O 0.6260(3) 0.14741(15) 0.51622(10) 0.0334(6) Uani 1 1 d . . . N11 N 0.5330(3) 0.26481(15) 0.31062(11) 0.0189(5) Uani 1 1 d . . . N12 N 0.6496(3) 0.41902(17) 0.30850(12) 0.0228(6) Uani 1 1 d . . . N13 N 0.3445(3) 0.38732(16) 0.23832(12) 0.0207(5) Uani 1 1 d . . . N14 N 0.5138(3) 0.37320(16) 0.15293(11) 0.0191(5) Uani 1 1 d . . . N15 N 0.7222(3) 0.29606(16) 0.20119(12) 0.0212(5) Uani 1 1 d . . . C11 C 0.4188(3) 0.21487(19) 0.19470(14) 0.0189(6) Uani 1 1 d . . . C12 C 0.3575(3) 0.1894(2) 0.13288(15) 0.0233(7) Uani 1 1 d . . . H12 H 0.3775 0.2240 0.1010 0.028 Uiso 1 1 calc R . . C13 C 0.2676(4) 0.1143(2) 0.11676(15) 0.0271(7) Uani 1 1 d . . . H13 H 0.2273 0.0986 0.0743 0.032 Uiso 1 1 calc R . . C14 C 0.2365(4) 0.0621(2) 0.16229(16) 0.0284(7) Uani 1 1 d . . . H14 H 0.1728 0.0120 0.1515 0.034 Uiso 1 1 calc R . . C15 C 0.2997(3) 0.0842(2) 0.22369(15) 0.0255(7) Uani 1 1 d . . . H15 H 0.2808 0.0484 0.2550 0.031 Uiso 1 1 calc R . . C16 C 0.3912(3) 0.15908(19) 0.23969(14) 0.0193(6) Uani 1 1 d . . . C17 C 0.4621(3) 0.18474(19) 0.30347(14) 0.0199(6) Uani 1 1 d . . . C18 C 0.4668(3) 0.1371(2) 0.35428(14) 0.0209(6) Uani 1 1 d . . . H18 H 0.4181 0.0812 0.3497 0.025 Uiso 1 1 calc R . . C19 C 0.5423(3) 0.1709(2) 0.41191(14) 0.0221(6) Uani 1 1 d . . . C110 C 0.6095(3) 0.2538(2) 0.41834(15) 0.0242(7) Uani 1 1 d . . . H110 H 0.6587 0.2788 0.4577 0.029 Uiso 1 1 calc R . . C111 C 0.6043(3) 0.2996(2) 0.36696(14) 0.0215(6) Uani 1 1 d . . . C112 C 0.6724(3) 0.3872(2) 0.36518(15) 0.0227(6) Uani 1 1 d . . . C113 C 0.7560(4) 0.4342(2) 0.41642(16) 0.0284(7) Uani 1 1 d . . . H113 H 0.7704 0.4110 0.4553 0.034 Uiso 1 1 calc R . . C114 C 0.8181(4) 0.5152(2) 0.41040(17) 0.0340(8) Uani 1 1 d . . . H114 H 0.8760 0.5480 0.4448 0.041 Uiso 1 1 calc R . . C115 C 0.7941(4) 0.5476(2) 0.35299(17) 0.0313(8) Uani 1 1 d . . . H115 H 0.8357 0.6030 0.3479 0.038 Uiso 1 1 calc R . . C116 C 0.7098(3) 0.4992(2) 0.30356(16) 0.0254(7) Uani 1 1 d . . . H116 H 0.6932 0.5224 0.2648 0.031 Uiso 1 1 calc R . . C117 C 0.5534(4) 0.1181(2) 0.46676(15) 0.0249(7) Uani 1 1 d . . . C118 C 0.2662(3) 0.3979(2) 0.28718(16) 0.0266(7) Uani 1 1 d . . . H118 H 0.2977 0.3753 0.3249 0.032 Uiso 1 1 calc R . . C119 C 0.1419(4) 0.4405(2) 0.28420(18) 0.0336(8) Uani 1 1 d . . . H119 H 0.0903 0.4480 0.3198 0.040 Uiso 1 1 calc R . . C120 C 0.0932(4) 0.4719(2) 0.2289(2) 0.0366(9) Uani 1 1 d . . . H120 H 0.0081 0.5013 0.2262 0.044 Uiso 1 1 calc R . . C121 C 0.1698(4) 0.4600(2) 0.17785(18) 0.0304(8) Uani 1 1 d . . . H121 H 0.1367 0.4800 0.1393 0.037 Uiso 1 1 calc R . . C122 C 0.2960(3) 0.4184(2) 0.18337(15) 0.0236(7) Uani 1 1 d . . . C123 C 0.3871(3) 0.40447(19) 0.13295(15) 0.0225(7) Uani 1 1 d . . . C124 C 0.3551(4) 0.4154(2) 0.06982(16) 0.0291(7) Uani 1 1 d . . . H124 H 0.2662 0.4352 0.0553 0.035 Uiso 1 1 calc R . . C125 C 0.4547(4) 0.3969(2) 0.02865(16) 0.0334(8) Uani 1 1 d . . . H125 H 0.4344 0.4048 -0.0144 0.040 Uiso 1 1 calc R . . C126 C 0.5840(4) 0.3668(2) 0.04921(16) 0.0309(8) Uani 1 1 d . . . H126 H 0.6526 0.3550 0.0208 0.037 Uiso 1 1 calc R . . C127 C 0.6114(3) 0.3543(2) 0.11208(15) 0.0236(7) Uani 1 1 d . . . C128 C 0.7352(3) 0.3163(2) 0.14122(15) 0.0245(7) Uani 1 1 d . . . C129 C 0.8580(4) 0.3015(2) 0.11327(17) 0.0318(8) Uani 1 1 d . . . H129 H 0.8656 0.3162 0.0721 0.038 Uiso 1 1 calc R . . C130 C 0.9697(4) 0.2653(2) 0.14525(19) 0.0366(9) Uani 1 1 d . . . H130 H 1.0534 0.2540 0.1261 0.044 Uiso 1 1 calc R . . C131 C 0.9572(4) 0.2460(2) 0.20554(18) 0.0324(8) Uani 1 1 d . . . H131 H 1.0326 0.2214 0.2285 0.039 Uiso 1 1 calc R . . C132 C 0.8339(3) 0.2627(2) 0.23203(16) 0.0253(7) Uani 1 1 d . . . H132 H 0.8272 0.2503 0.2738 0.030 Uiso 1 1 calc R . . Ru2 Ru 0.49532(2) 0.197383(15) 0.724897(11) 0.01848(7) Uani 1 1 d . . . O21 O 0.9047(3) 0.45797(15) 0.96491(12) 0.0409(7) Uani 1 1 d . . . H21O H 0.9657 0.4794 0.9948 0.050 Uiso 0.50 1 d P . . O22 O 1.0149(2) 0.33583(15) 0.97564(11) 0.0332(6) Uani 1 1 d . . . N21 N 0.6335(2) 0.25716(16) 0.79530(11) 0.0178(5) Uani 1 1 d . . . N22 N 0.6886(3) 0.13928(16) 0.70618(12) 0.0196(5) Uani 1 1 d . . . N23 N 0.4981(3) 0.27816(17) 0.65548(12) 0.0220(5) Uani 1 1 d . . . N24 N 0.3639(3) 0.13117(17) 0.65733(12) 0.0213(5) Uani 1 1 d . . . N25 N 0.4343(3) 0.09271(16) 0.76877(12) 0.0210(5) Uani 1 1 d . . . C21 C 0.3659(3) 0.27858(19) 0.77023(14) 0.0200(6) Uani 1 1 d . . . C22 C 0.2196(3) 0.2869(2) 0.75868(16) 0.0237(7) Uani 1 1 d . . . H22 H 0.1664 0.2490 0.7254 0.028 Uiso 1 1 calc R . . C23 C 0.1505(3) 0.3489(2) 0.79453(16) 0.0263(7) Uani 1 1 d . . . H23 H 0.0510 0.3513 0.7864 0.032 Uiso 1 1 calc R . . C24 C 0.2257(3) 0.4077(2) 0.84231(16) 0.0262(7) Uani 1 1 d . . . H24 H 0.1783 0.4511 0.8658 0.031 Uiso 1 1 calc R . . C25 C 0.3704(3) 0.4022(2) 0.85517(14) 0.0216(6) Uani 1 1 d . . . H25 H 0.4227 0.4423 0.8874 0.026 Uiso 1 1 calc R . . C26 C 0.4395(3) 0.33750(19) 0.82071(14) 0.0195(6) Uani 1 1 d . . . C27 C 0.5900(3) 0.32226(19) 0.83635(14) 0.0186(6) Uani 1 1 d . . . C28 C 0.6833(3) 0.36239(19) 0.88634(14) 0.0195(6) Uani 1 1 d . . . H28 H 0.6553 0.4102 0.9135 0.023 Uiso 1 1 calc R . . C29 C 0.8185(3) 0.33268(19) 0.89695(14) 0.0196(6) Uani 1 1 d . . . C210 C 0.8584(3) 0.26265(19) 0.85659(14) 0.0204(6) Uani 1 1 d . . . H210 H 0.9479 0.2393 0.8646 0.024 Uiso 1 1 calc R . . C211 C 0.7653(3) 0.22760(19) 0.80462(14) 0.0185(6) Uani 1 1 d . . . C212 C 0.7957(3) 0.15955(19) 0.75419(14) 0.0190(6) Uani 1 1 d . . . C213 C 0.9221(3) 0.1186(2) 0.75390(15) 0.0244(7) Uani 1 1 d . . . H213 H 0.9945 0.1323 0.7881 0.029 Uiso 1 1 calc R . . C214 C 0.9415(3) 0.0576(2) 0.70307(16) 0.0289(7) Uani 1 1 d . . . H214 H 1.0262 0.0276 0.7027 0.035 Uiso 1 1 calc R . . C215 C 0.8360(3) 0.0406(2) 0.65262(15) 0.0265(7) Uani 1 1 d . . . H215 H 0.8492 0.0010 0.6165 0.032 Uiso 1 1 calc R . . C216 C 0.7114(3) 0.0825(2) 0.65596(15) 0.0233(7) Uani 1 1 d . . . H216 H 0.6392 0.0707 0.6215 0.028 Uiso 1 1 calc R . . C217 C 0.9237(3) 0.3768(2) 0.95032(14) 0.0228(7) Uani 1 1 d . . . C218 C 0.5678(4) 0.3571(2) 0.65878(16) 0.0275(7) Uani 1 1 d . . . H218 H 0.6253 0.3797 0.6967 0.033 Uiso 1 1 calc R . . C219 C 0.5588(4) 0.4062(2) 0.60922(18) 0.0354(8) Uani 1 1 d . . . H219 H 0.6099 0.4612 0.6132 0.042 Uiso 1 1 calc R . . C220 C 0.4752(4) 0.3747(2) 0.55404(17) 0.0373(9) Uani 1 1 d . . . H220 H 0.4681 0.4077 0.5196 0.045 Uiso 1 1 calc R . . C221 C 0.4017(4) 0.2944(2) 0.54956(16) 0.0345(8) Uani 1 1 d . . . H221 H 0.3430 0.2719 0.5120 0.041 Uiso 1 1 calc R . . C222 C 0.4145(3) 0.2469(2) 0.60046(15) 0.0255(7) Uani 1 1 d . . . C223 C 0.3412(3) 0.1613(2) 0.60080(15) 0.0255(7) Uani 1 1 d . . . C224 C 0.2579(4) 0.1118(2) 0.55043(16) 0.0322(8) Uani 1 1 d . . . H224 H 0.2420 0.1328 0.5108 0.039 Uiso 1 1 calc R . . C225 C 0.1987(4) 0.0310(2) 0.55936(17) 0.0344(8) Uani 1 1 d . . . H225 H 0.1410 -0.0035 0.5257 0.041 Uiso 1 1 calc R . . C226 C 0.2233(3) 0.0005(2) 0.61688(16) 0.0294(7) Uani 1 1 d . . . H226 H 0.1836 -0.0551 0.6227 0.035 Uiso 1 1 calc R . . C227 C 0.3069(3) 0.0518(2) 0.66643(15) 0.0239(7) Uani 1 1 d . . . C228 C 0.3437(3) 0.0318(2) 0.73068(15) 0.0221(6) Uani 1 1 d . . . C229 C 0.2922(3) -0.0424(2) 0.75396(16) 0.0271(7) Uani 1 1 d . . . H229 H 0.2296 -0.0843 0.7273 0.033 Uiso 1 1 calc R . . C230 C 0.3321(4) -0.0549(2) 0.81570(17) 0.0306(8) Uani 1 1 d . . . H230 H 0.2976 -0.1053 0.8318 0.037 Uiso 1 1 calc R . . C231 C 0.4230(3) 0.0071(2) 0.85366(16) 0.0273(7) Uani 1 1 d . . . H231 H 0.4515 0.0000 0.8963 0.033 Uiso 1 1 calc R . . C232 C 0.4718(3) 0.0794(2) 0.82902(15) 0.0232(7) Uani 1 1 d . . . H232 H 0.5344 0.1216 0.8555 0.028 Uiso 1 1 calc R . . P1 P 0.05372(10) 0.22289(7) 0.39784(5) 0.0387(2) Uani 1 1 d D . . F1A F 0.2140(4) 0.2012(6) 0.4061(3) 0.071(2) Uani 0.541(12) 1 d PDU A 1 F2A F 0.0851(8) 0.2880(4) 0.4622(2) 0.0545(19) Uani 0.541(12) 1 d PDU A 1 F3A F -0.1082(5) 0.2383(6) 0.3976(4) 0.087(3) Uani 0.541(12) 1 d PDU A 1 F4A F 0.0196(7) 0.1529(3) 0.3379(2) 0.055(2) Uani 0.541(12) 1 d PDU A 1 F5A F 0.0775(10) 0.2955(4) 0.3582(3) 0.077(3) Uani 0.541(12) 1 d PDU A 1 F6A F 0.0243(7) 0.1437(3) 0.4403(3) 0.0521(19) Uani 0.541(12) 1 d PDU A 1 F1B F 0.2162(6) 0.2580(10) 0.4108(5) 0.139(5) Uani 0.459(12) 1 d PDU A 2 F2B F 0.0250(12) 0.2802(6) 0.4602(3) 0.094(4) Uani 0.459(12) 1 d PDU A 2 F3B F -0.1070(6) 0.2004(6) 0.3782(5) 0.072(3) Uani 0.459(12) 1 d PDU A 2 F4B F 0.0851(13) 0.1752(9) 0.3312(3) 0.125(5) Uani 0.459(12) 1 d PDU A 2 F5B F 0.0286(12) 0.3106(5) 0.3625(5) 0.092(4) Uani 0.459(12) 1 d PDU A 2 F6B F 0.0821(13) 0.1437(5) 0.4299(4) 0.122(5) Uani 0.459(12) 1 d PDU A 2 N31 N 0.9003(4) 0.9246(3) 0.0915(3) 0.0789(14) Uani 1 1 d D . . C31 C 0.8245(4) 0.8648(3) 0.0790(2) 0.0443(10) Uani 1 1 d D . . C32 C 0.7306(4) 0.7884(3) 0.0645(2) 0.0457(10) Uani 1 1 d D . . H32A H 0.7746 0.7434 0.0382 0.069 Uiso 1 1 calc R . . H32B H 0.6422 0.8029 0.0417 0.069 Uiso 1 1 calc R . . H32C H 0.7107 0.7666 0.1037 0.069 Uiso 1 1 calc R . . N41 N 0.3993(6) 0.8556(4) 0.0100(3) 0.125(3) Uani 1 1 d D . . C41 C 0.2875(5) 0.8731(3) 0.0029(2) 0.0577(12) Uani 1 1 d D . . C42 C 0.1418(5) 0.8924(4) -0.0042(3) 0.0856(19) Uani 1 1 d D . . H42A H 0.0823 0.8389 -0.0042 0.128 Uiso 1 1 calc R . . H42B H 0.1198 0.9157 -0.0442 0.128 Uiso 1 1 calc R . . H42C H 0.1234 0.9358 0.0308 0.128 Uiso 1 1 calc R . . N51A N 0.1104(6) 0.6796(4) 0.3187(3) 0.0498(17) Uani 0.599(6) 1 d PD B 3 C51A C 0.0931(6) 0.7209(4) 0.3641(3) 0.0389(17) Uani 0.599(6) 1 d PD B 3 N51B N 0.1324(9) 0.6111(5) 0.4286(4) 0.054(3) Uani 0.401(6) 1 d PD B 4 C51B C 0.1082(10) 0.6808(5) 0.4228(5) 0.041(3) Uani 0.401(6) 1 d PD B 4 C52 C 0.0733(5) 0.7703(3) 0.4206(2) 0.0682(15) Uani 1 1 d D . . H52A H 0.0578 0.7327 0.4528 0.102 Uiso 0.60 1 d P B 3 H52B H -0.0106 0.8055 0.4145 0.102 Uiso 0.60 1 d P B 3 H52C H 0.1560 0.8111 0.4355 0.102 Uiso 0.60 1 d P B 3 H52D H -0.0111 0.7828 0.4430 0.102 Uiso 0.40 1 d P B 4 H52E H 0.0526 0.7815 0.3770 0.102 Uiso 0.40 1 d P B 4 H52F H 0.1523 0.8107 0.4416 0.102 Uiso 0.40 1 d P B 4 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 0.02116(13) 0.01708(12) 0.01409(12) 0.00513(9) 0.00034(9) 0.00120(9) O11 0.0414(14) 0.0234(11) 0.0175(11) 0.0098(9) -0.0010(10) -0.0024(10) O12 0.0539(16) 0.0270(12) 0.0174(12) 0.0065(10) -0.0065(11) -0.0033(11) N11 0.0289(14) 0.0153(12) 0.0121(12) 0.0042(10) -0.0018(10) -0.0016(10) N12 0.0245(13) 0.0233(13) 0.0214(14) 0.0057(11) 0.0028(11) 0.0017(11) N13 0.0231(13) 0.0159(12) 0.0235(14) 0.0041(10) 0.0022(11) 0.0016(10) N14 0.0255(13) 0.0159(12) 0.0161(12) 0.0063(10) -0.0007(10) -0.0018(10) N15 0.0239(13) 0.0179(12) 0.0213(13) 0.0013(10) 0.0023(11) -0.0003(10) C11 0.0194(14) 0.0189(14) 0.0187(15) 0.0028(12) 0.0016(12) 0.0046(12) C12 0.0269(16) 0.0241(16) 0.0183(15) 0.0046(13) -0.0018(13) 0.0023(13) C13 0.0328(18) 0.0273(17) 0.0192(16) 0.0026(13) -0.0056(14) 0.0020(14) C14 0.0321(18) 0.0223(16) 0.0295(18) 0.0041(14) -0.0014(15) -0.0034(14) C15 0.0320(17) 0.0224(16) 0.0228(16) 0.0068(13) 0.0026(14) 0.0007(13) C16 0.0214(15) 0.0202(15) 0.0166(15) 0.0036(12) 0.0016(12) 0.0037(12) C17 0.0209(15) 0.0201(15) 0.0192(15) 0.0042(12) 0.0018(12) 0.0010(12) C18 0.0254(16) 0.0183(14) 0.0197(15) 0.0055(12) 0.0015(13) 0.0012(12) C19 0.0295(17) 0.0203(15) 0.0171(15) 0.0050(12) 0.0016(13) 0.0038(13) C110 0.0329(18) 0.0218(16) 0.0174(15) 0.0032(12) -0.0007(13) 0.0016(13) C111 0.0259(16) 0.0201(15) 0.0188(15) 0.0049(12) 0.0006(13) 0.0029(12) C112 0.0265(16) 0.0224(16) 0.0200(16) 0.0063(13) 0.0022(13) 0.0020(13) C113 0.0355(19) 0.0269(17) 0.0216(17) 0.0057(14) -0.0044(14) -0.0006(14) C114 0.039(2) 0.0283(18) 0.0317(19) 0.0032(15) -0.0063(16) -0.0072(15) C115 0.0368(19) 0.0225(16) 0.0334(19) 0.0075(14) -0.0020(16) -0.0058(14) C116 0.0277(17) 0.0225(16) 0.0273(17) 0.0103(13) 0.0014(14) -0.0001(13) C117 0.0353(18) 0.0230(16) 0.0176(16) 0.0057(13) 0.0029(14) 0.0051(14) C118 0.0297(17) 0.0227(16) 0.0272(17) 0.0013(13) 0.0049(14) 0.0002(13) C119 0.0323(19) 0.0276(18) 0.042(2) 0.0032(16) 0.0113(16) 0.0052(15) C120 0.0282(18) 0.0251(18) 0.058(3) 0.0115(17) 0.0022(17) 0.0066(14) C121 0.0297(18) 0.0233(17) 0.039(2) 0.0117(15) -0.0026(15) 0.0015(14) C122 0.0253(16) 0.0167(14) 0.0282(17) 0.0062(13) -0.0033(13) -0.0003(12) C123 0.0279(16) 0.0150(14) 0.0239(16) 0.0055(12) -0.0034(13) -0.0007(12) C124 0.0390(19) 0.0205(16) 0.0255(17) 0.0066(13) -0.0105(15) -0.0007(14) C125 0.057(2) 0.0268(17) 0.0155(16) 0.0067(13) -0.0043(16) -0.0026(16) C126 0.046(2) 0.0280(17) 0.0195(16) 0.0049(14) 0.0060(15) -0.0007(15) C127 0.0317(17) 0.0191(15) 0.0197(16) 0.0032(12) 0.0033(13) -0.0028(13) C128 0.0302(17) 0.0197(15) 0.0229(16) 0.0006(13) 0.0050(14) -0.0031(13) C129 0.0369(19) 0.0309(18) 0.0273(18) -0.0015(15) 0.0104(15) -0.0026(15) C130 0.0251(18) 0.035(2) 0.048(2) -0.0060(17) 0.0120(17) -0.0003(15) C131 0.0248(17) 0.0296(18) 0.040(2) -0.0018(16) -0.0012(15) 0.0018(14) C132 0.0249(16) 0.0204(15) 0.0289(17) 0.0032(13) -0.0030(14) -0.0002(13) Ru2 0.01777(13) 0.01976(13) 0.01622(13) 0.00010(9) -0.00217(9) -0.00110(9) O21 0.0443(15) 0.0237(12) 0.0449(16) -0.0054(11) -0.0298(13) 0.0033(11) O22 0.0328(13) 0.0310(13) 0.0311(13) -0.0027(10) -0.0133(11) 0.0099(10) N21 0.0176(12) 0.0188(12) 0.0162(12) 0.0021(10) 0.0000(10) -0.0031(10) N22 0.0217(13) 0.0182(12) 0.0181(13) 0.0013(10) 0.0021(10) -0.0027(10) N23 0.0208(13) 0.0254(14) 0.0193(13) 0.0029(11) -0.0002(11) 0.0035(11) N24 0.0172(12) 0.0253(14) 0.0194(13) -0.0018(11) -0.0016(10) 0.0015(10) N25 0.0192(12) 0.0201(13) 0.0225(13) -0.0012(10) 0.0007(11) 0.0014(10) C21 0.0198(15) 0.0200(15) 0.0201(15) 0.0060(12) -0.0006(12) -0.0009(12) C22 0.0212(15) 0.0217(15) 0.0277(17) 0.0071(13) -0.0018(13) -0.0037(12) C23 0.0188(15) 0.0262(17) 0.0355(19) 0.0117(14) 0.0018(14) 0.0009(13) C24 0.0274(17) 0.0263(17) 0.0275(17) 0.0084(14) 0.0063(14) 0.0076(13) C25 0.0259(16) 0.0217(15) 0.0180(15) 0.0058(12) 0.0025(13) 0.0004(12) C26 0.0209(15) 0.0193(14) 0.0184(15) 0.0054(12) -0.0002(12) -0.0002(12) C27 0.0220(15) 0.0158(14) 0.0183(15) 0.0039(12) 0.0026(12) -0.0004(12) C28 0.0230(15) 0.0177(14) 0.0175(15) 0.0022(12) 0.0010(12) 0.0010(12) C29 0.0212(15) 0.0198(15) 0.0172(15) 0.0038(12) -0.0009(12) -0.0026(12) C210 0.0191(15) 0.0202(15) 0.0209(15) 0.0030(12) -0.0016(12) 0.0000(12) C211 0.0180(14) 0.0185(14) 0.0186(15) 0.0036(12) 0.0007(12) -0.0017(11) C212 0.0206(15) 0.0189(14) 0.0168(15) 0.0026(12) 0.0010(12) -0.0029(12) C213 0.0191(15) 0.0288(17) 0.0241(17) 0.0012(13) 0.0005(13) -0.0009(13) C214 0.0239(16) 0.0305(18) 0.0328(19) 0.0013(15) 0.0066(14) 0.0045(14) C215 0.0318(18) 0.0256(17) 0.0225(16) 0.0002(13) 0.0082(14) 0.0012(14) C216 0.0286(17) 0.0221(16) 0.0184(15) 0.0017(12) 0.0021(13) -0.0032(13) C217 0.0244(16) 0.0241(16) 0.0182(15) 0.0014(12) -0.0016(13) -0.0023(13) C218 0.0300(17) 0.0271(17) 0.0246(17) 0.0025(14) 0.0012(14) 0.0002(14) C219 0.041(2) 0.0308(19) 0.036(2) 0.0084(16) 0.0053(17) 0.0028(16) C220 0.047(2) 0.038(2) 0.0292(19) 0.0133(16) 0.0056(17) 0.0078(17) C221 0.040(2) 0.041(2) 0.0214(17) 0.0048(15) -0.0026(15) 0.0062(17) C222 0.0250(16) 0.0310(17) 0.0193(16) 0.0009(13) -0.0012(13) 0.0058(13) C223 0.0221(16) 0.0329(18) 0.0193(16) -0.0016(13) -0.0019(13) 0.0030(13) C224 0.0279(18) 0.042(2) 0.0237(18) -0.0025(15) -0.0037(14) 0.0047(15) C225 0.0283(18) 0.043(2) 0.0253(18) -0.0112(16) -0.0061(15) -0.0031(16) C226 0.0230(16) 0.0311(18) 0.0306(19) -0.0056(15) 0.0005(14) -0.0022(14) C227 0.0186(15) 0.0259(16) 0.0245(17) -0.0043(13) 0.0002(13) -0.0003(12) C228 0.0176(14) 0.0205(15) 0.0266(17) -0.0037(13) 0.0037(13) 0.0004(12) C229 0.0250(16) 0.0205(16) 0.0341(19) -0.0026(14) 0.0035(14) -0.0025(13) C230 0.0336(18) 0.0198(16) 0.040(2) 0.0044(14) 0.0105(16) 0.0001(14) C231 0.0282(17) 0.0256(17) 0.0289(18) 0.0048(14) 0.0041(14) 0.0040(14) C232 0.0230(16) 0.0234(16) 0.0226(16) 0.0022(13) 0.0006(13) 0.0025(13) P1 0.0291(5) 0.0548(6) 0.0309(5) 0.0025(5) -0.0018(4) 0.0102(4) F1A 0.030(3) 0.126(6) 0.053(3) -0.003(3) -0.005(2) 0.022(3) F2A 0.076(5) 0.043(3) 0.042(3) -0.011(2) 0.020(3) -0.008(3) F3A 0.036(3) 0.090(6) 0.134(6) 0.010(5) 0.009(3) 0.018(3) F4A 0.086(4) 0.045(3) 0.027(3) 0.003(2) -0.016(3) -0.012(3) F5A 0.101(5) 0.071(4) 0.056(4) 0.022(3) 0.010(4) -0.048(4) F6A 0.062(4) 0.047(3) 0.045(3) 0.015(2) -0.014(3) -0.016(3) F1B 0.065(5) 0.212(11) 0.133(8) 0.007(8) -0.002(5) 0.013(6) F2B 0.119(8) 0.104(7) 0.067(5) -0.002(4) 0.055(5) 0.011(6) F3B 0.061(4) 0.061(5) 0.097(6) 0.047(5) -0.007(4) -0.020(3) F4B 0.137(9) 0.168(9) 0.063(5) -0.019(6) -0.007(5) 0.071(7) F5B 0.110(7) 0.084(6) 0.078(6) 0.026(5) -0.014(5) -0.029(5) F6B 0.173(10) 0.101(7) 0.089(7) 0.014(5) -0.042(6) 0.093(7) N31 0.053(3) 0.065(3) 0.110(4) -0.014(3) 0.002(3) -0.003(2) C31 0.038(2) 0.046(2) 0.049(3) 0.003(2) 0.0020(19) 0.0088(19) C32 0.039(2) 0.042(2) 0.058(3) 0.008(2) 0.009(2) 0.0083(18) N41 0.092(4) 0.129(5) 0.123(5) -0.065(4) -0.050(4) 0.052(4) C41 0.066(3) 0.053(3) 0.047(3) -0.012(2) -0.011(2) 0.014(2) C42 0.072(4) 0.083(4) 0.091(4) -0.035(3) 0.007(3) 0.018(3) N51A 0.036(3) 0.058(4) 0.052(4) -0.003(3) 0.000(3) 0.001(3) C51A 0.020(3) 0.052(4) 0.044(4) 0.015(3) -0.005(3) -0.010(3) N51B 0.036(5) 0.079(7) 0.045(6) 0.004(5) 0.006(4) 0.004(5) C51B 0.030(5) 0.053(6) 0.045(6) 0.024(5) 0.001(4) -0.002(5) C52 0.060(3) 0.080(4) 0.065(3) 0.021(3) 0.002(3) -0.018(3) _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 N14 1.950(2) . ? Ru1 N11 2.024(2) . ? Ru1 N13 2.057(3) . ? Ru1 C11 2.062(3) . ? Ru1 N15 2.068(3) . ? Ru1 N12 2.158(3) . ? O11 C117 1.288(4) . ? O11 H11O 0.8419 . ? O12 C117 1.229(4) . ? N11 C111 1.359(4) . ? N11 C17 1.365(4) . ? N12 C116 1.362(4) . ? N12 C112 1.371(4) . ? N13 C118 1.350(4) . ? N13 C122 1.375(4) . ? N14 C127 1.363(4) . ? N14 C123 1.370(4) . ? N15 C132 1.353(4) . ? N15 C128 1.382(4) . ? C11 C12 1.395(4) . ? C11 C16 1.412(4) . ? C12 C13 1.394(4) . ? C12 H12 0.9500 . ? C13 C14 1.392(5) . ? C13 H13 0.9500 . ? C14 C15 1.387(5) . ? C14 H14 0.9500 . ? C15 C16 1.399(4) . ? C15 H15 0.9500 . ? C16 C17 1.462(4) . ? C17 C18 1.391(4) . ? C18 C19 1.393(4) . ? C18 H18 0.9500 . ? C19 C110 1.390(4) . ? C19 C117 1.515(4) . ? C110 C111 1.383(4) . ? C110 H110 0.9500 . ? C111 C112 1.481(4) . ? C112 C113 1.391(5) . ? C113 C114 1.386(5) . ? C113 H113 0.9500 . ? C114 C115 1.391(5) . ? C114 H114 0.9500 . ? C115 C116 1.378(5) . ? C115 H115 0.9500 . ? C116 H116 0.9500 . ? C118 C119 1.384(5) . ? C118 H118 0.9500 . ? C119 C120 1.384(5) . ? C119 H119 0.9500 . ? C120 C121 1.381(5) . ? C120 H120 0.9500 . ? C121 C122 1.393(4) . ? C121 H121 0.9500 . ? C122 C123 1.461(5) . ? C123 C124 1.393(4) . ? C124 C125 1.382(5) . ? C124 H124 0.9500 . ? C125 C126 1.386(5) . ? C125 H125 0.9500 . ? C126 C127 1.390(4) . ? C126 H126 0.9500 . ? C127 C128 1.461(5) . ? C128 C129 1.388(5) . ? C129 C130 1.385(5) . ? C129 H129 0.9500 . ? C130 C131 1.383(5) . ? C130 H130 0.9500 . ? C131 C132 1.381(5) . ? C131 H131 0.9500 . ? C132 H132 0.9500 . ? Ru2 N24 1.962(2) . ? Ru2 N21 1.998(2) . ? Ru2 C21 2.036(3) . ? Ru2 N25 2.064(3) . ? Ru2 N23 2.066(3) . ? Ru2 N22 2.143(3) . ? O21 C217 1.282(4) . ? O21 H21O 0.8424 . ? O22 C217 1.222(4) . ? N21 C211 1.361(4) . ? N21 C27 1.364(4) . ? N22 C216 1.347(4) . ? N22 C212 1.368(4) . ? N23 C218 1.351(4) . ? N23 C222 1.374(4) . ? N24 C223 1.356(4) . ? N24 C227 1.363(4) . ? N25 C232 1.352(4) . ? N25 C228 1.372(4) . ? C21 C22 1.406(4) . ? C21 C26 1.425(4) . ? C22 C23 1.389(5) . ? C22 H22 0.9500 . ? C23 C24 1.394(5) . ? C23 H23 0.9500 . ? C24 C25 1.387(4) . ? C24 H24 0.9500 . ? C25 C26 1.402(4) . ? C25 H25 0.9500 . ? C26 C27 1.476(4) . ? C27 C28 1.382(4) . ? C28 C29 1.396(4) . ? C28 H28 0.9500 . ? C29 C210 1.394(4) . ? C29 C217 1.511(4) . ? C210 C211 1.387(4) . ? C210 H210 0.9500 . ? C211 C212 1.475(4) . ? C212 C213 1.389(4) . ? C213 C214 1.386(5) . ? C213 H213 0.9500 . ? C214 C215 1.390(5) . ? C214 H214 0.9500 . ? C215 C216 1.385(5) . ? C215 H215 0.9500 . ? C216 H216 0.9500 . ? C218 C219 1.383(5) . ? C218 H218 0.9500 . ? C219 C220 1.378(5) . ? C219 H219 0.9500 . ? C220 C221 1.383(5) . ? C220 H220 0.9500 . ? C221 C222 1.391(5) . ? C221 H221 0.9500 . ? C222 C223 1.469(5) . ? C223 C224 1.393(5) . ? C224 C225 1.391(5) . ? C224 H224 0.9500 . ? C225 C226 1.380(5) . ? C225 H225 0.9500 . ? C226 C227 1.396(4) . ? C226 H226 0.9500 . ? C227 C228 1.465(5) . ? C228 C229 1.397(4) . ? C229 C230 1.383(5) . ? C229 H229 0.9500 . ? C230 C231 1.383(5) . ? C230 H230 0.9500 . ? C231 C232 1.378(4) . ? C231 H231 0.9500 . ? C232 H232 0.9500 . ? P1 F6B 1.501(5) . ? P1 F5A 1.515(4) . ? P1 F3B 1.557(5) . ? P1 F2B 1.570(5) . ? P1 F4A 1.571(4) . ? P1 F3A 1.573(4) . ? P1 F1A 1.577(4) . ? P1 F4B 1.592(5) . ? P1 F2A 1.598(4) . ? P1 F1B 1.601(6) . ? P1 F6A 1.648(4) . ? P1 F5B 1.651(6) . ? N31 C31 1.132(5) . ? C31 C32 1.428(5) . ? C32 H32A 0.9800 . ? C32 H32B 0.9800 . ? C32 H32C 0.9800 . ? N41 C41 1.112(5) . ? C41 C42 1.432(6) . ? C42 H42A 0.9800 . ? C42 H42B 0.9800 . ? C42 H42C 0.9800 . ? N51A C51A 1.129(6) . ? C51A C52 1.388(7) . ? C51A H52E 1.0464 . ? N51B C51B 1.132(8) . ? C51B C52 1.444(8) . ? C51B H52A 1.1250 . ? C52 H52A 0.9759 . ? C52 H52B 0.9959 . ? C52 H52C 0.9852 . ? C52 H52D 0.9942 . ? C52 H52E 0.9782 . ? C52 H52F 0.9864 . ? 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 N14 Ru1 N11 170.28(10) . . ? N14 Ru1 N13 79.60(10) . . ? N11 Ru1 N13 99.62(10) . . ? N14 Ru1 C11 90.54(11) . . ? N11 Ru1 C11 79.74(11) . . ? N13 Ru1 C11 87.99(11) . . ? N14 Ru1 N15 79.10(10) . . ? N11 Ru1 N15 102.10(10) . . ? N13 Ru1 N15 158.27(10) . . ? C11 Ru1 N15 96.42(10) . . ? N14 Ru1 N12 113.25(10) . . ? N11 Ru1 N12 76.46(10) . . ? N13 Ru1 N12 95.46(10) . . ? C11 Ru1 N12 156.20(11) . . ? N15 Ru1 N12 89.05(10) . . ? C117 O11 H11O 109.4 . . ? C111 N11 C17 121.0(2) . . ? C111 N11 Ru1 121.00(19) . . ? C17 N11 Ru1 117.93(19) . . ? C116 N12 C112 118.2(3) . . ? C116 N12 Ru1 127.2(2) . . ? C112 N12 Ru1 114.4(2) . . ? C118 N13 C122 118.3(3) . . ? C118 N13 Ru1 128.2(2) . . ? C122 N13 Ru1 113.6(2) . . ? C127 N14 C123 120.9(3) . . ? C127 N14 Ru1 119.2(2) . . ? C123 N14 Ru1 118.2(2) . . ? C132 N15 C128 117.8(3) . . ? C132 N15 Ru1 128.2(2) . . ? C128 N15 Ru1 113.8(2) . . ? C12 C11 C16 117.1(3) . . ? C12 C11 Ru1 129.9(2) . . ? C16 C11 Ru1 112.8(2) . . ? C13 C12 C11 121.5(3) . . ? C13 C12 H12 119.2 . . ? C11 C12 H12 119.2 . . ? C14 C13 C12 120.6(3) . . ? C14 C13 H13 119.7 . . ? C12 C13 H13 119.7 . . ? C15 C14 C13 119.1(3) . . ? C15 C14 H14 120.5 . . ? C13 C14 H14 120.5 . . ? C14 C15 C16 120.3(3) . . ? C14 C15 H15 119.9 . . ? C16 C15 H15 119.9 . . ? C15 C16 C11 121.3(3) . . ? C15 C16 C17 122.5(3) . . ? C11 C16 C17 116.2(3) . . ? N11 C17 C18 119.2(3) . . ? N11 C17 C16 112.9(3) . . ? C18 C17 C16 127.9(3) . . ? C17 C18 C19 120.5(3) . . ? C17 C18 H18 119.8 . . ? C19 C18 H18 119.8 . . ? C110 C19 C18 119.0(3) . . ? C110 C19 C117 120.1(3) . . ? C18 C19 C117 121.0(3) . . ? C111 C110 C19 119.4(3) . . ? C111 C110 H110 120.3 . . ? C19 C110 H110 120.3 . . ? N11 C111 C110 120.8(3) . . ? N11 C111 C112 112.7(3) . . ? C110 C111 C112 126.5(3) . . ? N12 C112 C113 121.6(3) . . ? N12 C112 C111 115.2(3) . . ? C113 C112 C111 123.2(3) . . ? C114 C113 C112 119.5(3) . . ? C114 C113 H113 120.2 . . ? C112 C113 H113 120.2 . . ? C113 C114 C115 118.8(3) . . ? C113 C114 H114 120.6 . . ? C115 C114 H114 120.6 . . ? C116 C115 C114 119.8(3) . . ? C116 C115 H115 120.1 . . ? C114 C115 H115 120.1 . . ? N12 C116 C115 122.1(3) . . ? N12 C116 H116 119.0 . . ? C115 C116 H116 119.0 . . ? O12 C117 O11 125.7(3) . . ? O12 C117 C19 119.9(3) . . ? O11 C117 C19 114.4(3) . . ? N13 C118 C119 122.3(3) . . ? N13 C118 H118 118.8 . . ? C119 C118 H118 118.8 . . ? C118 C119 C120 119.4(3) . . ? C118 C119 H119 120.3 . . ? C120 C119 H119 120.3 . . ? C121 C120 C119 119.3(3) . . ? C121 C120 H120 120.3 . . ? C119 C120 H120 120.3 . . ? C120 C121 C122 119.4(3) . . ? C120 C121 H121 120.3 . . ? C122 C121 H121 120.3 . . ? N13 C122 C121 121.3(3) . . ? N13 C122 C123 114.7(3) . . ? C121 C122 C123 124.0(3) . . ? N14 C123 C124 120.1(3) . . ? N14 C123 C122 112.4(3) . . ? C124 C123 C122 127.4(3) . . ? C125 C124 C123 118.9(3) . . ? C125 C124 H124 120.6 . . ? C123 C124 H124 120.6 . . ? C124 C125 C126 121.0(3) . . ? C124 C125 H125 119.5 . . ? C126 C125 H125 119.5 . . ? C125 C126 C127 118.8(3) . . ? C125 C126 H126 120.6 . . ? C127 C126 H126 120.6 . . ? N14 C127 C126 120.3(3) . . ? N14 C127 C128 112.7(3) . . ? C126 C127 C128 126.9(3) . . ? N15 C128 C129 121.0(3) . . ? N15 C128 C127 114.2(3) . . ? C129 C128 C127 124.8(3) . . ? C130 C129 C128 120.1(3) . . ? C130 C129 H129 119.9 . . ? C128 C129 H129 119.9 . . ? C131 C130 C129 118.9(3) . . ? C131 C130 H130 120.6 . . ? C129 C130 H130 120.6 . . ? C132 C131 C130 119.2(3) . . ? C132 C131 H131 120.4 . . ? C130 C131 H131 120.4 . . ? N15 C132 C131 123.0(3) . . ? N15 C132 H132 118.5 . . ? C131 C132 H132 118.5 . . ? N24 Ru2 N21 176.14(10) . . ? N24 Ru2 C21 102.24(11) . . ? N21 Ru2 C21 80.17(11) . . ? N24 Ru2 N25 79.35(11) . . ? N21 Ru2 N25 97.58(10) . . ? C21 Ru2 N25 93.03(11) . . ? N24 Ru2 N23 78.92(11) . . ? N21 Ru2 N23 104.22(10) . . ? C21 Ru2 N23 89.49(11) . . ? N25 Ru2 N23 158.16(10) . . ? N24 Ru2 N22 100.33(10) . . ? N21 Ru2 N22 77.28(10) . . ? C21 Ru2 N22 157.43(11) . . ? N25 Ru2 N22 90.82(9) . . ? N23 Ru2 N22 95.14(10) . . ? C217 O21 H21O 109.4 . . ? C211 N21 C27 121.1(2) . . ? C211 N21 Ru2 119.63(19) . . ? C27 N21 Ru2 119.07(19) . . ? C216 N22 C212 118.5(3) . . ? C216 N22 Ru2 127.7(2) . . ? C212 N22 Ru2 113.63(19) . . ? C218 N23 C222 117.8(3) . . ? C218 N23 Ru2 128.0(2) . . ? C222 N23 Ru2 114.2(2) . . ? C223 N24 C227 121.2(3) . . ? C223 N24 Ru2 119.6(2) . . ? C227 N24 Ru2 119.0(2) . . ? C232 N25 C228 118.6(3) . . ? C232 N25 Ru2 127.6(2) . . ? C228 N25 Ru2 113.7(2) . . ? C22 C21 C26 116.2(3) . . ? C22 C21 Ru2 130.7(2) . . ? C26 C21 Ru2 113.0(2) . . ? C23 C22 C21 121.9(3) . . ? C23 C22 H22 119.0 . . ? C21 C22 H22 119.0 . . ? C22 C23 C24 120.7(3) . . ? C22 C23 H23 119.7 . . ? C24 C23 H23 119.7 . . ? C25 C24 C23 119.3(3) . . ? C25 C24 H24 120.3 . . ? C23 C24 H24 120.3 . . ? C24 C25 C26 120.1(3) . . ? C24 C25 H25 120.0 . . ? C26 C25 H25 120.0 . . ? C25 C26 C21 121.6(3) . . ? C25 C26 C27 122.7(3) . . ? C21 C26 C27 115.6(3) . . ? N21 C27 C28 119.7(3) . . ? N21 C27 C26 111.8(3) . . ? C28 C27 C26 128.5(3) . . ? C27 C28 C29 120.0(3) . . ? C27 C28 H28 120.0 . . ? C29 C28 H28 120.0 . . ? C210 C29 C28 119.4(3) . . ? C210 C29 C217 119.5(3) . . ? C28 C29 C217 121.1(3) . . ? C211 C210 C29 118.9(3) . . ? C211 C210 H210 120.5 . . ? C29 C210 H210 120.5 . . ? N21 C211 C210 120.6(3) . . ? N21 C211 C212 113.5(2) . . ? C210 C211 C212 125.9(3) . . ? N22 C212 C213 121.4(3) . . ? N22 C212 C211 114.7(3) . . ? C213 C212 C211 123.9(3) . . ? C214 C213 C212 119.2(3) . . ? C214 C213 H213 120.4 . . ? C212 C213 H213 120.4 . . ? C213 C214 C215 119.4(3) . . ? C213 C214 H214 120.3 . . ? C215 C214 H214 120.3 . . ? C216 C215 C214 118.8(3) . . ? C216 C215 H215 120.6 . . ? C214 C215 H215 120.6 . . ? N22 C216 C215 122.5(3) . . ? N22 C216 H216 118.7 . . ? C215 C216 H216 118.7 . . ? O22 C217 O21 125.9(3) . . ? O22 C217 C29 120.9(3) . . ? O21 C217 C29 113.1(3) . . ? N23 C218 C219 122.6(3) . . ? N23 C218 H218 118.7 . . ? C219 C218 H218 118.7 . . ? C220 C219 C218 119.5(3) . . ? C220 C219 H219 120.2 . . ? C218 C219 H219 120.2 . . ? C219 C220 C221 119.1(3) . . ? C219 C220 H220 120.5 . . ? C221 C220 H220 120.5 . . ? C220 C221 C222 119.5(3) . . ? C220 C221 H221 120.2 . . ? C222 C221 H221 120.2 . . ? N23 C222 C221 121.5(3) . . ? N23 C222 C223 114.5(3) . . ? C221 C222 C223 124.0(3) . . ? N24 C223 C224 120.6(3) . . ? N24 C223 C222 112.6(3) . . ? C224 C223 C222 126.8(3) . . ? C225 C224 C223 118.6(3) . . ? C225 C224 H224 120.7 . . ? C223 C224 H224 120.7 . . ? C226 C225 C224 120.4(3) . . ? C226 C225 H225 119.8 . . ? C224 C225 H225 119.8 . . ? C225 C226 C227 119.5(3) . . ? C225 C226 H226 120.2 . . ? C227 C226 H226 120.2 . . ? N24 C227 C226 119.6(3) . . ? N24 C227 C228 112.5(3) . . ? C226 C227 C228 127.8(3) . . ? N25 C228 C229 120.4(3) . . ? N25 C228 C227 115.1(3) . . ? C229 C228 C227 124.5(3) . . ? C230 C229 C228 120.2(3) . . ? C230 C229 H229 119.9 . . ? C228 C229 H229 119.9 . . ? C231 C230 C229 118.9(3) . . ? C231 C230 H230 120.6 . . ? C229 C230 H230 120.6 . . ? C232 C231 C230 119.3(3) . . ? C232 C231 H231 120.4 . . ? C230 C231 H231 120.4 . . ? N25 C232 C231 122.7(3) . . ? N25 C232 H232 118.7 . . ? C231 C232 H232 118.7 . . ? F6B P1 F3B 96.8(4) . . ? F6B P1 F2B 93.6(4) . . ? F3B P1 F2B 91.9(4) . . ? F5A P1 F4A 92.2(3) . . ? F5A P1 F3A 92.6(3) . . ? F4A P1 F3A 90.0(3) . . ? F5A P1 F1A 94.5(3) . . ? F4A P1 F1A 92.4(3) . . ? F3A P1 F1A 172.3(4) . . ? F6B P1 F4B 92.8(4) . . ? F3B P1 F4B 89.3(4) . . ? F2B P1 F4B 173.3(5) . . ? F5A P1 F2A 92.4(3) . . ? F4A P1 F2A 175.4(3) . . ? F3A P1 F2A 89.3(3) . . ? F1A P1 F2A 87.6(3) . . ? F6B P1 F1B 92.2(4) . . ? F3B P1 F1B 170.8(5) . . ? F2B P1 F1B 89.2(4) . . ? F4B P1 F1B 88.6(4) . . ? F5A P1 F6A 178.8(4) . . ? F4A P1 F6A 87.3(2) . . ? F3A P1 F6A 86.3(3) . . ? F1A P1 F6A 86.6(3) . . ? F2A P1 F6A 88.1(3) . . ? F6B P1 F5B 178.0(5) . . ? F3B P1 F5B 85.2(3) . . ? F2B P1 F5B 86.9(4) . . ? F4B P1 F5B 86.7(4) . . ? F1B P1 F5B 85.8(4) . . ? N31 C31 C32 178.5(5) . . ? C31 C32 H32A 109.5 . . ? C31 C32 H32B 109.5 . . ? H32A C32 H32B 109.5 . . ? C31 C32 H32C 109.5 . . ? H32A C32 H32C 109.5 . . ? H32B C32 H32C 109.5 . . ? N41 C41 C42 177.2(8) . . ? C41 C42 H42A 109.5 . . ? C41 C42 H42B 109.5 . . ? H42A C42 H42B 109.5 . . ? C41 C42 H42C 109.5 . . ? H42A C42 H42C 109.5 . . ? H42B C42 H42C 109.5 . . ? N51A C51A C52 178.6(8) . . ? N51B C51B C52 175.0(11) . . ? N51B C51B H52A 132.6 . . ? C51A C52 H52A 110.8 . . ? C51A C52 H52B 109.9 . . ? H52A C52 H52B 108.5 . . ? C51A C52 H52C 110.4 . . ? H52A C52 H52C 109.4 . . ? H52B C52 H52C 107.8 . . ? C51B C52 H52D 110.4 . . ? C51B C52 H52E 110.5 . . ? H52D C52 H52E 108.5 . . ? C51B C52 H52F 110.5 . . ? H52D C52 H52F 107.8 . . ? H52E C52 H52F 109.1 . . ? 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 N13 Ru1 N11 C111 -97.0(2) . . . . ? C11 Ru1 N11 C111 176.8(3) . . . . ? N15 Ru1 N11 C111 82.3(2) . . . . ? N12 Ru1 N11 C111 -3.7(2) . . . . ? N13 Ru1 N11 C17 84.6(2) . . . . ? C11 Ru1 N11 C17 -1.6(2) . . . . ? N15 Ru1 N11 C17 -96.0(2) . . . . ? N12 Ru1 N11 C17 177.9(2) . . . . ? N14 Ru1 N12 C116 -1.3(3) . . . . ? N11 Ru1 N12 C116 179.0(3) . . . . ? N13 Ru1 N12 C116 -82.3(3) . . . . ? C11 Ru1 N12 C116 -179.8(3) . . . . ? N15 Ru1 N12 C116 76.4(3) . . . . ? N14 Ru1 N12 C112 -176.1(2) . . . . ? N11 Ru1 N12 C112 4.3(2) . . . . ? N13 Ru1 N12 C112 102.9(2) . . . . ? C11 Ru1 N12 C112 5.5(4) . . . . ? N15 Ru1 N12 C112 -98.4(2) . . . . ? N14 Ru1 N13 C118 -174.4(3) . . . . ? N11 Ru1 N13 C118 15.4(3) . . . . ? C11 Ru1 N13 C118 94.6(3) . . . . ? N15 Ru1 N13 C118 -163.0(3) . . . . ? N12 Ru1 N13 C118 -61.8(3) . . . . ? N14 Ru1 N13 C122 5.7(2) . . . . ? N11 Ru1 N13 C122 -164.4(2) . . . . ? C11 Ru1 N13 C122 -85.2(2) . . . . ? N15 Ru1 N13 C122 17.2(4) . . . . ? N12 Ru1 N13 C122 118.4(2) . . . . ? N13 Ru1 N14 C127 -176.0(2) . . . . ? C11 Ru1 N14 C127 -88.2(2) . . . . ? N15 Ru1 N14 C127 8.3(2) . . . . ? N12 Ru1 N14 C127 92.5(2) . . . . ? N13 Ru1 N14 C123 -10.9(2) . . . . ? C11 Ru1 N14 C123 76.9(2) . . . . ? N15 Ru1 N14 C123 173.4(2) . . . . ? N12 Ru1 N14 C123 -102.4(2) . . . . ? N14 Ru1 N15 C132 172.9(3) . . . . ? N11 Ru1 N15 C132 -17.0(3) . . . . ? N13 Ru1 N15 C132 161.4(3) . . . . ? C11 Ru1 N15 C132 -97.8(3) . . . . ? N12 Ru1 N15 C132 59.0(3) . . . . ? N14 Ru1 N15 C128 -3.2(2) . . . . ? N11 Ru1 N15 C128 167.0(2) . . . . ? N13 Ru1 N15 C128 -14.7(4) . . . . ? C11 Ru1 N15 C128 86.1(2) . . . . ? N12 Ru1 N15 C128 -117.1(2) . . . . ? N14 Ru1 C11 C12 -0.3(3) . . . . ? N11 Ru1 C11 C12 179.4(3) . . . . ? N13 Ru1 C11 C12 79.3(3) . . . . ? N15 Ru1 C11 C12 -79.4(3) . . . . ? N12 Ru1 C11 C12 178.3(2) . . . . ? N14 Ru1 C11 C16 -174.7(2) . . . . ? N11 Ru1 C11 C16 5.0(2) . . . . ? N13 Ru1 C11 C16 -95.1(2) . . . . ? N15 Ru1 C11 C16 106.2(2) . . . . ? N12 Ru1 C11 C16 3.9(4) . . . . ? C16 C11 C12 C13 2.9(5) . . . . ? Ru1 C11 C12 C13 -171.3(2) . . . . ? C11 C12 C13 C14 -0.1(5) . . . . ? C12 C13 C14 C15 -2.1(5) . . . . ? C13 C14 C15 C16 1.3(5) . . . . ? C14 C15 C16 C11 1.6(5) . . . . ? C14 C15 C16 C17 -179.1(3) . . . . ? C12 C11 C16 C15 -3.7(4) . . . . ? Ru1 C11 C16 C15 171.5(2) . . . . ? C12 C11 C16 C17 177.0(3) . . . . ? Ru1 C11 C16 C17 -7.8(3) . . . . ? C111 N11 C17 C18 -1.9(4) . . . . ? Ru1 N11 C17 C18 176.4(2) . . . . ? C111 N11 C17 C16 179.5(3) . . . . ? Ru1 N11 C17 C16 -2.1(3) . . . . ? C15 C16 C17 N11 -172.7(3) . . . . ? C11 C16 C17 N11 6.6(4) . . . . ? C15 C16 C17 C18 8.9(5) . . . . ? C11 C16 C17 C18 -171.8(3) . . . . ? N11 C17 C18 C19 0.3(4) . . . . ? C16 C17 C18 C19 178.6(3) . . . . ? C17 C18 C19 C110 1.8(5) . . . . ? C17 C18 C19 C117 -177.4(3) . . . . ? C18 C19 C110 C111 -2.3(5) . . . . ? C117 C19 C110 C111 176.8(3) . . . . ? C17 N11 C111 C110 1.4(5) . . . . ? Ru1 N11 C111 C110 -176.9(2) . . . . ? C17 N11 C111 C112 -179.2(3) . . . . ? Ru1 N11 C111 C112 2.5(4) . . . . ? C19 C110 C111 N11 0.7(5) . . . . ? C19 C110 C111 C112 -178.5(3) . . . . ? C116 N12 C112 C113 -0.8(5) . . . . ? Ru1 N12 C112 C113 174.4(2) . . . . ? C116 N12 C112 C111 -179.7(3) . . . . ? Ru1 N12 C112 C111 -4.4(3) . . . . ? N11 C111 C112 N12 1.5(4) . . . . ? C110 C111 C112 N12 -179.1(3) . . . . ? N11 C111 C112 C113 -177.3(3) . . . . ? C110 C111 C112 C113 2.1(5) . . . . ? N12 C112 C113 C114 0.0(5) . . . . ? C111 C112 C113 C114 178.7(3) . . . . ? C112 C113 C114 C115 0.4(5) . . . . ? C113 C114 C115 C116 0.0(5) . . . . ? C112 N12 C116 C115 1.3(5) . . . . ? Ru1 N12 C116 C115 -173.3(2) . . . . ? C114 C115 C116 N12 -0.9(5) . . . . ? C110 C19 C117 O12 -2.5(5) . . . . ? C18 C19 C117 O12 176.6(3) . . . . ? C110 C19 C117 O11 177.4(3) . . . . ? C18 C19 C117 O11 -3.5(4) . . . . ? C122 N13 C118 C119 -1.6(5) . . . . ? Ru1 N13 C118 C119 178.6(2) . . . . ? N13 C118 C119 C120 1.5(5) . . . . ? C118 C119 C120 C121 0.1(5) . . . . ? C119 C120 C121 C122 -1.4(5) . . . . ? C118 N13 C122 C121 0.1(4) . . . . ? Ru1 N13 C122 C121 180.0(2) . . . . ? C118 N13 C122 C123 179.9(3) . . . . ? Ru1 N13 C122 C123 -0.2(3) . . . . ? C120 C121 C122 N13 1.4(5) . . . . ? C120 C121 C122 C123 -178.4(3) . . . . ? C127 N14 C123 C124 1.6(4) . . . . ? Ru1 N14 C123 C124 -163.2(2) . . . . ? C127 N14 C123 C122 178.5(3) . . . . ? Ru1 N14 C123 C122 13.7(3) . . . . ? N13 C122 C123 N14 -8.3(4) . . . . ? C121 C122 C123 N14 171.5(3) . . . . ? N13 C122 C123 C124 168.4(3) . . . . ? C121 C122 C123 C124 -11.8(5) . . . . ? N14 C123 C124 C125 -2.1(5) . . . . ? C122 C123 C124 C125 -178.5(3) . . . . ? C123 C124 C125 C126 0.8(5) . . . . ? C124 C125 C126 C127 0.9(5) . . . . ? C123 N14 C127 C126 0.2(4) . . . . ? Ru1 N14 C127 C126 164.9(2) . . . . ? C123 N14 C127 C128 -176.1(3) . . . . ? Ru1 N14 C127 C128 -11.4(3) . . . . ? C125 C126 C127 N14 -1.4(5) . . . . ? C125 C126 C127 C128 174.3(3) . . . . ? C132 N15 C128 C129 1.0(4) . . . . ? Ru1 N15 C128 C129 177.5(2) . . . . ? C132 N15 C128 C127 -178.2(3) . . . . ? Ru1 N15 C128 C127 -1.7(3) . . . . ? N14 C127 C128 N15 8.1(4) . . . . ? C126 C127 C128 N15 -167.9(3) . . . . ? N14 C127 C128 C129 -171.1(3) . . . . ? C126 C127 C128 C129 12.9(5) . . . . ? N15 C128 C129 C130 0.5(5) . . . . ? C127 C128 C129 C130 179.7(3) . . . . ? C128 C129 C130 C131 -1.2(5) . . . . ? C129 C130 C131 C132 0.3(5) . . . . ? C128 N15 C132 C131 -1.9(4) . . . . ? Ru1 N15 C132 C131 -177.9(2) . . . . ? C130 C131 C132 N15 1.3(5) . . . . ? C21 Ru2 N21 C211 171.1(2) . . . . ? N25 Ru2 N21 C211 79.3(2) . . . . ? N23 Ru2 N21 C211 -102.0(2) . . . . ? N22 Ru2 N21 C211 -9.8(2) . . . . ? C21 Ru2 N21 C27 -3.4(2) . . . . ? N25 Ru2 N21 C27 -95.2(2) . . . . ? N23 Ru2 N21 C27 83.5(2) . . . . ? N22 Ru2 N21 C27 175.7(2) . . . . ? N24 Ru2 N22 C216 8.4(3) . . . . ? N21 Ru2 N22 C216 -174.7(3) . . . . ? C21 Ru2 N22 C216 -172.4(3) . . . . ? N25 Ru2 N22 C216 87.7(3) . . . . ? N23 Ru2 N22 C216 -71.3(3) . . . . ? N24 Ru2 N22 C212 -166.8(2) . . . . ? N21 Ru2 N22 C212 10.1(2) . . . . ? C21 Ru2 N22 C212 12.4(4) . . . . ? N25 Ru2 N22 C212 -87.5(2) . . . . ? N23 Ru2 N22 C212 113.6(2) . . . . ? N24 Ru2 N23 C218 177.1(3) . . . . ? N21 Ru2 N23 C218 -5.2(3) . . . . ? C21 Ru2 N23 C218 74.5(3) . . . . ? N25 Ru2 N23 C218 171.4(3) . . . . ? N22 Ru2 N23 C218 -83.3(3) . . . . ? N24 Ru2 N23 C222 -0.9(2) . . . . ? N21 Ru2 N23 C222 176.8(2) . . . . ? C21 Ru2 N23 C222 -103.4(2) . . . . ? N25 Ru2 N23 C222 -6.6(4) . . . . ? N22 Ru2 N23 C222 98.7(2) . . . . ? C21 Ru2 N24 C223 90.1(2) . . . . ? N25 Ru2 N24 C223 -179.1(2) . . . . ? N23 Ru2 N24 C223 3.1(2) . . . . ? N22 Ru2 N24 C223 -90.2(2) . . . . ? C21 Ru2 N24 C227 -95.6(2) . . . . ? N25 Ru2 N24 C227 -4.8(2) . . . . ? N23 Ru2 N24 C227 177.3(2) . . . . ? N22 Ru2 N24 C227 84.1(2) . . . . ? N24 Ru2 N25 C232 -176.7(3) . . . . ? N21 Ru2 N25 C232 5.7(3) . . . . ? C21 Ru2 N25 C232 -74.8(3) . . . . ? N23 Ru2 N25 C232 -171.0(3) . . . . ? N22 Ru2 N25 C232 83.0(3) . . . . ? N24 Ru2 N25 C228 2.5(2) . . . . ? N21 Ru2 N25 C228 -175.2(2) . . . . ? C21 Ru2 N25 C228 104.3(2) . . . . ? N23 Ru2 N25 C228 8.1(4) . . . . ? N22 Ru2 N25 C228 -97.9(2) . . . . ? N24 Ru2 C21 C22 0.8(3) . . . . ? N21 Ru2 C21 C22 -176.1(3) . . . . ? N25 Ru2 C21 C22 -78.9(3) . . . . ? N23 Ru2 C21 C22 79.3(3) . . . . ? N22 Ru2 C21 C22 -178.4(2) . . . . ? N24 Ru2 C21 C26 -177.3(2) . . . . ? N21 Ru2 C21 C26 5.8(2) . . . . ? N25 Ru2 C21 C26 103.0(2) . . . . ? N23 Ru2 C21 C26 -98.7(2) . . . . ? N22 Ru2 C21 C26 3.5(4) . . . . ? C26 C21 C22 C23 -0.2(4) . . . . ? Ru2 C21 C22 C23 -178.2(2) . . . . ? C21 C22 C23 C24 2.3(5) . . . . ? C22 C23 C24 C25 -1.9(5) . . . . ? C23 C24 C25 C26 -0.6(5) . . . . ? C24 C25 C26 C21 2.8(5) . . . . ? C24 C25 C26 C27 -173.5(3) . . . . ? C22 C21 C26 C25 -2.4(4) . . . . ? Ru2 C21 C26 C25 176.0(2) . . . . ? C22 C21 C26 C27 174.1(3) . . . . ? Ru2 C21 C26 C27 -7.5(3) . . . . ? C211 N21 C27 C28 3.6(4) . . . . ? Ru2 N21 C27 C28 178.1(2) . . . . ? C211 N21 C27 C26 -174.1(3) . . . . ? Ru2 N21 C27 C26 0.3(3) . . . . ? C25 C26 C27 N21 -178.8(3) . . . . ? C21 C26 C27 N21 4.8(4) . . . . ? C25 C26 C27 C28 3.7(5) . . . . ? C21 C26 C27 C28 -172.7(3) . . . . ? N21 C27 C28 C29 -4.0(4) . . . . ? C26 C27 C28 C29 173.4(3) . . . . ? C27 C28 C29 C210 0.3(4) . . . . ? C27 C28 C29 C217 178.5(3) . . . . ? C28 C29 C210 C211 3.8(4) . . . . ? C217 C29 C210 C211 -174.5(3) . . . . ? C27 N21 C211 C210 0.5(4) . . . . ? Ru2 N21 C211 C210 -173.9(2) . . . . ? C27 N21 C211 C212 -177.7(3) . . . . ? Ru2 N21 C211 C212 7.8(3) . . . . ? C29 C210 C211 N21 -4.3(4) . . . . ? C29 C210 C211 C212 173.8(3) . . . . ? C216 N22 C212 C213 -4.3(4) . . . . ? Ru2 N22 C212 C213 171.3(2) . . . . ? C216 N22 C212 C211 175.2(3) . . . . ? Ru2 N22 C212 C211 -9.2(3) . . . . ? N21 C211 C212 N22 1.5(4) . . . . ? C210 C211 C212 N22 -176.6(3) . . . . ? N21 C211 C212 C213 -179.0(3) . . . . ? C210 C211 C212 C213 2.9(5) . . . . ? N22 C212 C213 C214 1.7(5) . . . . ? C211 C212 C213 C214 -177.8(3) . . . . ? C212 C213 C214 C215 2.0(5) . . . . ? C213 C214 C215 C216 -2.9(5) . . . . ? C212 N22 C216 C215 3.4(4) . . . . ? Ru2 N22 C216 C215 -171.6(2) . . . . ? C214 C215 C216 N22 0.2(5) . . . . ? C210 C29 C217 O22 -30.6(4) . . . . ? C28 C29 C217 O22 151.1(3) . . . . ? C210 C29 C217 O21 149.9(3) . . . . ? C28 C29 C217 O21 -28.4(4) . . . . ? C222 N23 C218 C219 -0.6(5) . . . . ? Ru2 N23 C218 C219 -178.5(3) . . . . ? N23 C218 C219 C220 0.5(5) . . . . ? C218 C219 C220 C221 0.1(6) . . . . ? C219 C220 C221 C222 -0.5(6) . . . . ? C218 N23 C222 C221 0.2(5) . . . . ? Ru2 N23 C222 C221 178.4(3) . . . . ? C218 N23 C222 C223 -179.4(3) . . . . ? Ru2 N23 C222 C223 -1.2(3) . . . . ? C220 C221 C222 N23 0.3(5) . . . . ? C220 C221 C222 C223 179.9(3) . . . . ? C227 N24 C223 C224 0.3(5) . . . . ? Ru2 N24 C223 C224 174.4(2) . . . . ? C227 N24 C223 C222 -178.6(3) . . . . ? Ru2 N24 C223 C222 -4.5(4) . . . . ? N23 C222 C223 N24 3.5(4) . . . . ? C221 C222 C223 N24 -176.0(3) . . . . ? N23 C222 C223 C224 -175.3(3) . . . . ? C221 C222 C223 C224 5.1(5) . . . . ? N24 C223 C224 C225 0.0(5) . . . . ? C222 C223 C224 C225 178.8(3) . . . . ? C223 C224 C225 C226 -0.6(5) . . . . ? C224 C225 C226 C227 0.7(5) . . . . ? C223 N24 C227 C226 -0.2(4) . . . . ? Ru2 N24 C227 C226 -174.3(2) . . . . ? C223 N24 C227 C228 -179.8(3) . . . . ? Ru2 N24 C227 C228 6.1(3) . . . . ? C225 C226 C227 N24 -0.4(5) . . . . ? C225 C226 C227 C228 179.2(3) . . . . ? C232 N25 C228 C229 -0.2(4) . . . . ? Ru2 N25 C228 C229 -179.4(2) . . . . ? C232 N25 C228 C227 179.2(3) . . . . ? Ru2 N25 C228 C227 0.0(3) . . . . ? N24 C227 C228 N25 -3.7(4) . . . . ? C226 C227 C228 N25 176.7(3) . . . . ? N24 C227 C228 C229 175.7(3) . . . . ? C226 C227 C228 C229 -3.9(5) . . . . ? N25 C228 C229 C230 0.1(5) . . . . ? C227 C228 C229 C230 -179.3(3) . . . . ? C228 C229 C230 C231 0.2(5) . . . . ? C229 C230 C231 C232 -0.3(5) . . . . ? C228 N25 C232 C231 0.1(4) . . . . ? Ru2 N25 C232 C231 179.2(2) . . . . ? C230 C231 C232 N25 0.1(5) . . . . ? _diffrn_measured_fraction_theta_max 0.992 _diffrn_reflns_theta_full 27.44 _diffrn_measured_fraction_theta_full 0.992 _refine_diff_density_max 1.771 _refine_diff_density_min -0.832 _refine_diff_density_rms 0.080 #===END