# Electronic Supplementary Material (ESI) for Chemical Communications # 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_I _chemical_name_systematic ? loop_ _chemical_name_common {[k3-(1-pz)2HB(N=CHCH3)]Ru(cymene)}+ TfO- _chemical_formula_moiety 'C18 H25 B N5 Ru, C F3 O3 S' _chemical_formula_sum 'C19 H25 B F3 N5 O3 Ru S' _chemical_formula_iupac ? _chemical_formula_weight 572.38 _chemical_melting_point ? _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 1 21/c 1' _space_group_name_Hall '-P 2ybc' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 13.1714(7) _cell_length_b 13.8135(7) _cell_length_c 25.8235(13) _cell_angle_alpha 90 _cell_angle_beta 95.3220(10) _cell_angle_gamma 90 _cell_volume 4678.2(4) _cell_formula_units_Z 8 _cell_measurement_reflns_used 9664 _cell_measurement_theta_min 2.3335 _cell_measurement_theta_max 30.4102 _cell_measurement_temperature 100.(2) _exptl_crystal_description prism _exptl_crystal_colour 'clear light yellow' _exptl_crystal_size_max 0.260 _exptl_crystal_size_mid 0.170 _exptl_crystal_size_min 0.150 _exptl_crystal_density_diffrn 1.625 _exptl_crystal_density_meas ? _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2320 _exptl_absorpt_coefficient_mu 0.814 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'Bruker SADABS V2008/1' _exptl_absorpt_correction_T_min 0.76 _exptl_absorpt_correction_T_max 0.89 _exptl_special_details ; ; _diffrn_ambient_temperature 100.(2) _diffrn_source 'fine-focus tube' _diffrn_source_type ? _diffrn_radiation_type 'MoK\a ' _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_monochromator 'TRIUMPH curved-crystal' _diffrn_measurement_device_type 'Bruker APEX II CCD' _diffrn_measurement_method 'omega- and phi-scans' _diffrn_detector_area_resol_mean 8.3333 _diffrn_reflns_number 112504 _diffrn_reflns_av_R_equivalents 0.0529 _diffrn_reflns_av_sigmaI/netI 0.0324 _diffrn_reflns_theta_min 1.55 _diffrn_reflns_theta_max 30.02 _diffrn_reflns_theta_full 30.02 _diffrn_measured_fraction_theta_max 0.999 _diffrn_measured_fraction_theta_full 0.999 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_l_min -36 _diffrn_reflns_limit_l_max 36 _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. ; _reflns_number_total 13663 _reflns_number_gt 10943 _reflns_threshold_expression >2sigma(I) _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_R_factor_all 0.0540 _refine_ls_R_factor_gt 0.0377 _refine_ls_wR_factor_gt 0.0815 _refine_ls_wR_factor_ref 0.0883 _refine_ls_goodness_of_fit_ref 1.025 _refine_ls_restrained_S_all 1.042 _refine_ls_number_reflns 13663 _refine_ls_number_parameters 621 _refine_ls_number_restraints 64 _refine_ls_hydrogen_treatment mixed _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0317P)^2^+10.5182P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_diff_density_max 1.763 _refine_diff_density_min -1.356 _refine_ls_extinction_method none _refine_ls_extinction_coef ? 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' B B 0.0013 0.0007 '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' S S 0.1246 0.1234 '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' _computing_data_collection 'Bruker Instrument Service v2012.6-0' _computing_cell_refinement 'APEX2 v2012.4-3 (Bruker AXS)' _computing_data_reduction 'SAINT V8.18C (Bruker AXS, 2009)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL 2012-4 (Sheldrick, 2012)' _computing_molecular_graphics ? _computing_publication_material ? loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group B B1 0.1854(3) 0.7367(2) 0.00982(13) 0.0240(6) Uani d . 1.0 . . B B2 0.4316(3) 0.2803(2) 0.34351(12) 0.0223(6) Uani d . 1.0 . . C C1 -0.1037(2) 0.9093(2) 0.06870(11) 0.0204(5) Uani d . 1.0 . . C C2 -0.0765(2) 0.8637(2) 0.11792(11) 0.0209(5) Uani d . 1.0 . . H H2 -0.0349 0.9007 0.1456 0.025 Uiso calc R 1.0 . . C C3 -0.0906(2) 0.7636(2) 0.12476(10) 0.0204(5) Uani d . 1.0 . . H H3 -0.0588 0.7319 0.1571 0.024 Uiso calc R 1.0 . . C C4 -0.1303(2) 0.70375(19) 0.08197(10) 0.0185(5) Uani d . 1.0 . . C C5 -0.15747(19) 0.7491(2) 0.03382(11) 0.0194(5) Uani d . 1.0 . . H H5 -0.1723 0.7079 0.0022 0.023 Uiso calc R 1.0 . . C C6 -0.1440(2) 0.8509(2) 0.02732(11) 0.0206(5) Uani d . 1.0 . . H H6 -0.1491 0.8781 -0.0087 0.025 Uiso calc R 1.0 . . C C7 -0.0894(3) 1.0158(2) 0.06094(13) 0.0287(6) Uani d . 1.0 . . H H7A -0.0647 1.0271 0.0268 0.043 Uiso calc R 1.0 . . H H7B -0.0395 1.0407 0.0882 0.043 Uiso calc R 1.0 . . H H7C -0.1547 1.0491 0.0627 0.043 Uiso calc R 1.0 . . C C8 -0.1421(2) 0.5954(2) 0.08845(12) 0.0222(5) Uani d . 1.0 . . H H8 -0.0963 0.5755 0.1197 0.027 Uiso calc R 1.0 . . C C9 -0.2510(3) 0.5722(3) 0.09945(19) 0.0478(10) Uani d . 1.0 . . H H9A -0.2686 0.6099 0.1295 0.072 Uiso calc R 1.0 . . H H9B -0.2567 0.503 0.1069 0.072 Uiso calc R 1.0 . . H H9C -0.2977 0.5889 0.069 0.072 Uiso calc R 1.0 . . C C10 -0.1104(3) 0.5380(2) 0.04245(13) 0.0302(6) Uani d . 1.0 . . H H10A -0.1554 0.5543 0.0113 0.045 Uiso calc R 1.0 . . H H10B -0.1156 0.4686 0.0496 0.045 Uiso calc R 1.0 . . H H10C -0.0399 0.554 0.0367 0.045 Uiso calc R 1.0 . . C C11 0.2332(2) 0.5796(2) 0.06902(13) 0.0293(7) Uani d . 1.0 . . H H11 0.2893 0.5529 0.0533 0.035 Uiso calc R 1.0 . . C C12 0.1919(3) 0.5433(2) 0.11199(13) 0.0325(7) Uani d . 1.0 . . H H12 0.2132 0.4874 0.1315 0.039 Uiso calc R 1.0 . . C C13 0.1125(2) 0.6055(2) 0.12096(11) 0.0263(6) Uani d . 1.0 . . H H13 0.0699 0.5994 0.1485 0.032 Uiso calc R 1.0 . . C C14 0.2922(2) 0.8931(2) 0.04330(12) 0.0243(6) Uani d . 1.0 . . H H14 0.3548 0.8832 0.0286 0.029 Uiso calc R 1.0 . . C C15 0.2695(2) 0.9701(2) 0.07421(11) 0.0236(6) Uani d . 1.0 . . H H15 0.3121 1.0234 0.0846 0.028 Uiso calc R 1.0 . . C C16 0.1701(2) 0.95279(19) 0.08700(10) 0.0201(5) Uani d . 1.0 . . H H16 0.1332 0.9932 0.1084 0.024 Uiso calc R 1.0 . . C C17 0.0417(2) 0.7363(2) -0.05828(11) 0.0246(6) Uani d . 1.0 . . H H17 0.0942 0.7192 -0.0795 0.029 Uiso calc R 1.0 . . C C18 -0.0620(3) 0.7444(2) -0.08529(12) 0.0317(7) Uani d . 1.0 . . H H18A -0.1062 0.779 -0.063 0.048 Uiso calc R 1.0 . . H H18B -0.0896 0.6795 -0.0928 0.048 Uiso calc R 1.0 . . H H18C -0.059 0.7801 -0.1179 0.048 Uiso calc R 1.0 . . C C19 0.50458(19) 0.53189(19) 0.22649(10) 0.0169(5) Uani d . 1.0 B . C C20 0.3992(2) 0.51524(19) 0.21696(10) 0.0176(5) Uani d . 1.0 B . H H20 0.3744 0.4655 0.1906 0.021 Uiso calc R 1.0 . . C C21 0.32909(19) 0.55565(19) 0.25003(10) 0.0171(5) Uani d . 1.0 B . H H21 0.257 0.5322 0.2465 0.021 Uiso calc R 1.0 . . C C22 0.3631(2) 0.61082(18) 0.29371(10) 0.0169(5) Uani d . 1.0 B . C C23 0.47106(19) 0.62610(18) 0.30435(10) 0.0171(5) Uani d . 1.0 B . H H23 0.4979 0.653 0.3389 0.021 Uiso calc R 1.0 . . C C24 0.53974(19) 0.58829(18) 0.27133(10) 0.0171(5) Uani d . 1.0 B . H H24 0.6142 0.5889 0.2831 0.021 Uiso calc R 1.0 . . C C25 0.5768(2) 0.4893(2) 0.19101(11) 0.0214(5) Uani d . 1.0 . . H H25A 0.5524 0.4252 0.1793 0.032 Uiso calc R 1.0 . . H H25B 0.6447 0.4833 0.2097 0.032 Uiso calc R 1.0 . . H H25C 0.5805 0.5316 0.1608 0.032 Uiso calc R 1.0 . . C C26 0.2910(2) 0.6543(2) 0.33002(11) 0.0205(5) Uani d D 1.0 . . H H26 0.3171 0.6372 0.3665 0.025 Uiso calc R 1.0 A 1 C C27 0.2931(5) 0.7649(3) 0.3250(3) 0.0298(12) Uani d PD 0.749(12) B 1 H H27A 0.2655 0.7837 0.2899 0.045 Uiso calc PR 0.749(12) B 1 H H27B 0.3636 0.7879 0.3314 0.045 Uiso calc PR 0.749(12) B 1 H H27C 0.2517 0.7938 0.3506 0.045 Uiso calc PR 0.749(12) B 1 C C28 0.1811(4) 0.6169(5) 0.3205(3) 0.0353(14) Uani d PD 0.749(12) B 1 H H28A 0.1807 0.5463 0.3239 0.053 Uiso calc PR 0.749(12) B 1 H H28B 0.1529 0.635 0.2854 0.053 Uiso calc PR 0.749(12) B 1 H H28C 0.1396 0.6456 0.3461 0.053 Uiso calc PR 0.749(12) B 1 C C29 0.6288(2) 0.2355(2) 0.34209(11) 0.0270(6) Uani d . 1.0 . . H H29 0.6322 0.1727 0.3572 0.032 Uiso calc R 1.0 . . C C30 0.7099(2) 0.2868(2) 0.32654(12) 0.0273(6) Uani d . 1.0 . . H H30 0.7792 0.2669 0.3284 0.033 Uiso calc R 1.0 . . C C31 0.6690(2) 0.3746(2) 0.30746(11) 0.0219(5) Uani d . 1.0 . . H H31 0.7068 0.426 0.2942 0.026 Uiso calc R 1.0 . . C C32 0.4050(2) 0.3430(2) 0.43944(11) 0.0240(6) Uani d . 1.0 . . H H32 0.394 0.2845 0.4574 0.029 Uiso calc R 1.0 . . C C33 0.4120(2) 0.4339(2) 0.46110(11) 0.0246(6) Uani d . 1.0 . . H H33 0.4068 0.4506 0.4964 0.029 Uiso calc R 1.0 . . C C34 0.4284(2) 0.4965(2) 0.42022(10) 0.0196(5) Uani d . 1.0 . . H H34 0.4369 0.5646 0.4232 0.023 Uiso calc R 1.0 . . C C35 0.3037(2) 0.2854(2) 0.26895(11) 0.0220(5) Uani d . 1.0 . . H H35 0.291 0.2212 0.2798 0.026 Uiso calc R 1.0 . . C C36 0.2399(2) 0.3198(2) 0.22198(11) 0.0250(6) Uani d . 1.0 . . H H36A 0.2357 0.3907 0.2226 0.038 Uiso calc R 1.0 . . H H36B 0.1713 0.2923 0.2217 0.038 Uiso calc R 1.0 . . H H36C 0.2707 0.2992 0.1907 0.038 Uiso calc R 1.0 . . C C37 0.4962(9) 0.3716(8) 0.0541(4) 0.0566(13) Uani d PD 0.577(5) C 3 C C38 0.0587(2) -0.0504(2) 0.26008(13) 0.0308(7) Uani d . 1.0 . . C C27A 0.2595(14) 0.7533(10) 0.3096(7) 0.0298(12) Uani d PD 0.251(12) B 2 H H27D 0.2108 0.7464 0.2788 0.045 Uiso calc PR 0.251(12) B 2 H H27E 0.3197 0.7886 0.3003 0.045 Uiso calc PR 0.251(12) B 2 H H27F 0.2275 0.7892 0.3365 0.045 Uiso calc PR 0.251(12) B 2 C C28A 0.2031(13) 0.5890(12) 0.3379(8) 0.0353(14) Uani d PD 0.251(12) B 2 H H28D 0.1636 0.5773 0.3044 0.053 Uiso calc PR 0.251(12) B 2 H H28E 0.1593 0.6196 0.3619 0.053 Uiso calc PR 0.251(12) B 2 H H28F 0.2287 0.5273 0.3526 0.053 Uiso calc PR 0.251(12) B 2 C C37A 0.4893(12) 0.3657(11) 0.0506(5) 0.0566(13) Uani d PD 0.423(5) C 4 F F1 0.5896(4) 0.3588(4) 0.07657(19) 0.0647(7) Uani d PD 0.577(5) C 3 F F2 0.5050(4) 0.3551(4) 0.0025(2) 0.0647(7) Uani d PD 0.577(5) C 3 F F3 0.4727(4) 0.4660(5) 0.0646(2) 0.0647(7) Uani d PD 0.577(5) C 3 F F4 -0.04294(17) -0.05967(19) 0.25681(11) 0.0597(7) Uani d . 1.0 . . F F5 0.0938(2) -0.06362(17) 0.30946(8) 0.0548(6) Uani d . 1.0 . . F F6 0.09323(16) -0.12332(14) 0.23290(8) 0.0386(5) Uani d . 1.0 . . F F1A 0.5758(6) 0.3217(6) 0.0643(3) 0.0647(7) Uani d PD 0.423(5) C 4 F F2A 0.4609(6) 0.3603(6) -0.0008(3) 0.0647(7) Uani d PD 0.423(5) C 4 F F3A 0.5074(6) 0.4599(6) 0.0600(3) 0.0647(7) Uani d PD 0.423(5) C 4 H H1B 0.242(2) 0.718(2) -0.0182(12) 0.023(8) Uiso d . 1.0 . . H H2B 0.406(2) 0.203(2) 0.3531(12) 0.020(8) Uiso d . 1.0 . . N N1 0.10521(17) 0.67535(16) 0.08485(9) 0.0194(4) Uani d . 1.0 . . N N2 0.18043(18) 0.65950(17) 0.05304(10) 0.0222(5) Uani d . 1.0 . . N N3 0.13513(16) 0.87054(16) 0.06447(8) 0.0166(4) Uani d . 1.0 . . N N4 0.21070(17) 0.83432(17) 0.03749(9) 0.0201(5) Uani d . 1.0 . . N N5 0.06943(19) 0.74925(16) -0.01047(9) 0.0209(5) Uani d . 1.0 . . N N6 0.56812(17) 0.37493(16) 0.31085(8) 0.0175(4) Uani d . 1.0 B . N N7 0.54358(19) 0.28891(16) 0.33232(9) 0.0205(5) Uani d . 1.0 . . N N8 0.43046(17) 0.44591(16) 0.37623(8) 0.0175(4) Uani d . 1.0 B . N N9 0.41644(18) 0.35104(17) 0.38851(9) 0.0210(5) Uani d . 1.0 . . N N10 0.37307(18) 0.33126(16) 0.29631(9) 0.0192(4) Uani d . 1.0 B . O O1 0.2965(4) 0.3507(4) 0.06473(19) 0.0394(5) Uani d PD 0.577(5) C 3 O O2 0.4188(7) 0.3135(6) 0.1365(3) 0.0394(5) Uani d PD 0.577(5) C 3 O O3 0.3941(4) 0.2041(4) 0.06404(19) 0.0394(5) Uani d PD 0.577(5) C 3 O O4 0.04689(19) 0.13406(17) 0.26801(9) 0.0365(6) Uani d . 1.0 . . O O5 0.05233(16) 0.06396(16) 0.18200(8) 0.0273(4) Uani d . 1.0 . . O O6 0.20423(17) 0.06513(17) 0.24273(11) 0.0395(6) Uani d . 1.0 . . O O1A 0.3167(5) 0.3390(5) 0.0462(3) 0.0394(5) Uani d PD 0.423(5) C 4 O O2A 0.4077(10) 0.3283(8) 0.1340(4) 0.0394(5) Uani d PD 0.423(5) C 4 O O3A 0.4343(5) 0.2037(5) 0.0713(3) 0.0394(5) Uani d PD 0.423(5) C 4 Ru Ru1 0.001899(15) 0.785475(14) 0.059137(7) 0.01383(5) Uani d . 1.0 . . Ru Ru2 0.445275(15) 0.469553(14) 0.296638(7) 0.01282(5) Uani d . 1.0 . . S S1 0.3925(9) 0.3048(7) 0.0810(4) 0.0256(4) Uani d PD 0.577(5) C 3 S S2 0.09480(5) 0.06703(5) 0.23530(3) 0.02158(14) Uani d . 1.0 . . S S1A 0.3934(12) 0.2967(10) 0.0813(5) 0.0256(4) Uani d PD 0.423(5) C 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_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 B1 0.0269(16) 0.0189(15) 0.0268(16) -0.0008(12) 0.0060(13) -0.0028(12) B2 0.0319(16) 0.0138(13) 0.0207(14) -0.0031(12) -0.0002(12) 0.0016(11) C1 0.0206(13) 0.0176(12) 0.0230(13) 0.0016(10) 0.0017(10) 0.0011(10) C2 0.0254(13) 0.0181(12) 0.0192(12) 0.0004(10) 0.0019(10) -0.0032(10) C3 0.0269(14) 0.0190(13) 0.0160(12) -0.0015(10) 0.0062(10) 0.0009(10) C4 0.0175(12) 0.0172(12) 0.0215(12) -0.0032(9) 0.0054(10) -0.0008(10) C5 0.0150(11) 0.0211(13) 0.0218(13) -0.0017(10) 0.0009(10) -0.0017(10) C6 0.0194(12) 0.0228(13) 0.0191(12) 0.0021(10) -0.0009(10) 0.0039(10) C7 0.0353(16) 0.0162(13) 0.0331(16) 0.0030(12) -0.0045(13) 0.0034(11) C8 0.0210(13) 0.0158(12) 0.0308(14) -0.0044(10) 0.0080(11) 0.0009(11) C9 0.0303(18) 0.0281(18) 0.089(3) -0.0060(14) 0.0280(19) 0.0051(19) C10 0.0365(17) 0.0198(14) 0.0344(16) -0.0030(12) 0.0042(13) -0.0070(12) C11 0.0250(14) 0.0174(13) 0.0422(18) 0.0025(11) -0.0136(13) -0.0047(12) C12 0.0359(17) 0.0167(13) 0.0399(17) -0.0041(12) -0.0232(14) 0.0053(12) C13 0.0293(15) 0.0213(14) 0.0252(14) -0.0094(11) -0.0136(11) 0.0079(11) C14 0.0178(12) 0.0230(14) 0.0320(15) -0.0042(11) 0.0025(11) 0.0059(12) C15 0.0246(13) 0.0204(13) 0.0250(13) -0.0073(11) -0.0017(11) 0.0036(11) C16 0.0262(13) 0.0161(12) 0.0169(12) -0.0034(10) -0.0032(10) 0.0015(9) C17 0.0322(15) 0.0171(13) 0.0248(14) -0.0034(11) 0.0047(12) 0.0009(10) C18 0.0391(18) 0.0331(17) 0.0217(14) -0.0051(14) -0.0037(13) 0.0012(12) C19 0.0177(11) 0.0152(11) 0.0179(11) 0.0017(9) 0.0020(9) 0.0038(9) C20 0.0194(12) 0.0171(12) 0.0158(11) 0.0021(9) -0.0010(9) 0.0044(9) C21 0.0155(11) 0.0168(12) 0.0188(12) 0.0009(9) 0.0004(9) 0.0068(9) C22 0.0184(12) 0.0132(11) 0.0193(12) 0.0019(9) 0.0026(9) 0.0030(9) C23 0.0174(12) 0.0131(11) 0.0208(12) -0.0011(9) 0.0010(9) 0.0012(9) C24 0.0140(11) 0.0151(12) 0.0221(12) -0.0020(9) 0.0016(9) 0.0029(9) C25 0.0205(13) 0.0228(13) 0.0215(13) -0.0001(10) 0.0056(10) -0.0011(10) C26 0.0202(12) 0.0188(12) 0.0231(13) 0.0039(10) 0.0055(10) 0.0031(10) C27 0.031(3) 0.0177(18) 0.042(3) 0.0031(18) 0.011(2) -0.0040(18) C28 0.023(2) 0.044(3) 0.041(3) -0.004(2) 0.014(2) -0.009(2) C29 0.0403(17) 0.0169(13) 0.0217(13) 0.0112(12) -0.0082(12) -0.0016(10) C30 0.0264(14) 0.0272(15) 0.0265(14) 0.0118(12) -0.0074(11) -0.0067(12) C31 0.0200(13) 0.0233(14) 0.0213(13) 0.0059(10) -0.0033(10) -0.0025(10) C32 0.0247(14) 0.0291(15) 0.0178(12) -0.0027(11) 0.0010(10) 0.0063(11) C33 0.0251(14) 0.0316(15) 0.0173(12) 0.0015(12) 0.0036(11) 0.0009(11) C34 0.0218(13) 0.0183(12) 0.0188(12) 0.0015(10) 0.0026(10) -0.0013(10) C35 0.0245(13) 0.0188(13) 0.0229(13) -0.0039(11) 0.0035(10) -0.0016(10) C36 0.0204(13) 0.0270(14) 0.0270(14) -0.0038(11) -0.0019(11) -0.0037(11) C37 0.079(4) 0.066(3) 0.025(2) -0.006(3) 0.005(2) 0.004(2) C38 0.0258(15) 0.0354(17) 0.0312(16) 0.0026(13) 0.0028(12) 0.0008(13) C27A 0.031(3) 0.0177(18) 0.042(3) 0.0031(18) 0.011(2) -0.0040(18) C28A 0.023(2) 0.044(3) 0.041(3) -0.004(2) 0.014(2) -0.009(2) C37A 0.079(4) 0.066(3) 0.025(2) -0.006(3) 0.005(2) 0.004(2) F1 0.0693(19) 0.0766(14) 0.0508(11) -0.0418(17) 0.0191(13) -0.0148(10) F2 0.0693(19) 0.0766(14) 0.0508(11) -0.0418(17) 0.0191(13) -0.0148(10) F3 0.0693(19) 0.0766(14) 0.0508(11) -0.0418(17) 0.0191(13) -0.0148(10) F4 0.0297(11) 0.0604(16) 0.092(2) -0.0056(11) 0.0187(12) 0.0256(14) F5 0.0894(19) 0.0421(13) 0.0316(11) 0.0139(13) -0.0012(11) 0.0054(10) F6 0.0444(12) 0.0232(9) 0.0478(12) -0.0017(8) 0.0014(9) -0.0085(8) F1A 0.0693(19) 0.0766(14) 0.0508(11) -0.0418(17) 0.0191(13) -0.0148(10) F2A 0.0693(19) 0.0766(14) 0.0508(11) -0.0418(17) 0.0191(13) -0.0148(10) F3A 0.0693(19) 0.0766(14) 0.0508(11) -0.0418(17) 0.0191(13) -0.0148(10) N1 0.0204(11) 0.0153(10) 0.0216(11) -0.0028(8) -0.0036(9) 0.0035(8) N2 0.0218(11) 0.0147(10) 0.0288(12) -0.0006(9) -0.0052(9) -0.0018(9) N3 0.0181(10) 0.0155(10) 0.0159(10) -0.0024(8) 0.0008(8) 0.0014(8) N4 0.0186(11) 0.0175(11) 0.0245(11) -0.0011(9) 0.0030(9) 0.0015(9) N5 0.0310(13) 0.0124(10) 0.0196(11) -0.0020(9) 0.0033(9) 0.0008(8) N6 0.0213(11) 0.0140(10) 0.0164(10) 0.0033(8) -0.0028(8) -0.0002(8) N7 0.0301(12) 0.0120(10) 0.0182(10) 0.0033(9) -0.0042(9) 0.0006(8) N8 0.0207(11) 0.0142(10) 0.0176(10) 0.0000(8) 0.0017(8) 0.0017(8) N9 0.0280(12) 0.0163(11) 0.0186(11) -0.0028(9) 0.0012(9) 0.0045(9) N10 0.0238(11) 0.0149(10) 0.0188(10) -0.0028(9) 0.0009(9) -0.0001(8) O1 0.0400(15) 0.0462(12) 0.0317(10) 0.0024(11) 0.0021(9) -0.0078(9) O2 0.0400(15) 0.0462(12) 0.0317(10) 0.0024(11) 0.0021(9) -0.0078(9) O3 0.0400(15) 0.0462(12) 0.0317(10) 0.0024(11) 0.0021(9) -0.0078(9) O4 0.0487(14) 0.0328(13) 0.0273(11) 0.0142(11) -0.0001(10) -0.0113(10) O5 0.0291(11) 0.0318(11) 0.0208(10) -0.0001(9) 0.0016(8) -0.0054(9) O6 0.0193(10) 0.0304(12) 0.0666(17) -0.0029(9) -0.0069(11) -0.0065(12) O1A 0.0400(15) 0.0462(12) 0.0317(10) 0.0024(11) 0.0021(9) -0.0078(9) O2A 0.0400(15) 0.0462(12) 0.0317(10) 0.0024(11) 0.0021(9) -0.0078(9) O3A 0.0400(15) 0.0462(12) 0.0317(10) 0.0024(11) 0.0021(9) -0.0078(9) Ru1 0.01657(9) 0.01243(9) 0.01208(9) -0.00220(7) -0.00091(7) 0.00167(7) Ru2 0.01346(9) 0.01109(9) 0.01353(9) -0.00023(7) -0.00073(7) 0.00069(7) S1 0.0343(4) 0.0165(14) 0.0248(3) 0.0030(8) -0.0046(3) -0.0049(7) S2 0.0181(3) 0.0211(3) 0.0248(3) 0.0018(2) -0.0017(2) -0.0072(3) S1A 0.0343(4) 0.0165(14) 0.0248(3) 0.0030(8) -0.0046(3) -0.0049(7) _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_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag B1 N4 . 1.548(4) ? B1 N2 . 1.549(4) ? B1 N5 . 1.578(4) ? B1 H1B . 1.11(3) ? B2 N7 . 1.534(4) ? B2 N9 . 1.545(4) ? B2 N10 . 1.549(4) ? B2 H2B . 1.15(3) ? C1 C6 . 1.403(4) ? C1 C2 . 1.434(4) ? C1 C7 . 1.499(4) ? C1 Ru1 . 2.233(3) ? C2 C3 . 1.408(4) ? C2 Ru1 . 2.197(3) ? C2 H2 . 1.0 ? C3 C4 . 1.439(4) ? C3 Ru1 . 2.198(3) ? C3 H3 . 1.0 ? C4 C5 . 1.409(4) ? C4 C8 . 1.516(4) ? C4 Ru1 . 2.201(3) ? C5 C6 . 1.429(4) ? C5 Ru1 . 2.198(3) ? C5 H5 . 1.0 ? C6 Ru1 . 2.211(3) ? C6 H6 . 1.0 ? C7 H7A . 0.98 ? C7 H7B . 0.98 ? C7 H7C . 0.98 ? C8 C10 . 1.518(4) ? C8 C9 . 1.522(4) ? C8 H8 . 1.0 ? C9 H9A . 0.98 ? C9 H9B . 0.98 ? C9 H9C . 0.98 ? C10 H10A . 0.98 ? C10 H10B . 0.98 ? C10 H10C . 0.98 ? C11 N2 . 1.349(4) ? C11 C12 . 1.375(5) ? C11 H11 . 0.95 ? C12 C13 . 1.389(5) ? C12 H12 . 0.95 ? C13 N1 . 1.339(3) ? C13 H13 . 0.95 ? C14 N4 . 1.342(3) ? C14 C15 . 1.380(4) ? C14 H14 . 0.95 ? C15 C16 . 1.400(4) ? C15 H15 . 0.95 ? C16 N3 . 1.339(3) ? C16 H16 . 0.95 ? C17 N5 . 1.267(4) ? C17 C18 . 1.480(4) ? C17 H17 . 0.95 ? C18 H18A . 0.98 ? C18 H18B . 0.98 ? C18 H18C . 0.98 ? C19 C20 . 1.406(4) ? C19 C24 . 1.436(4) ? C19 C25 . 1.501(4) ? C19 Ru2 . 2.213(3) ? C20 C21 . 1.429(4) ? C20 Ru2 . 2.184(2) ? C20 H20 . 1.0 ? C21 C22 . 1.400(4) ? C21 Ru2 . 2.205(2) ? C21 H21 . 1.0 ? C22 C23 . 1.438(4) ? C22 C26 . 1.519(4) ? C22 Ru2 . 2.229(3) ? C23 C24 . 1.400(4) ? C23 Ru2 . 2.195(3) ? C23 H23 . 1.0 ? C24 Ru2 . 2.195(2) ? C24 H24 . 1.0 ? C25 H25A . 0.98 ? C25 H25B . 0.98 ? C25 H25C . 0.98 ? C26 C28A . 1.497(12) ? C26 C27A . 1.510(12) ? C26 C27 . 1.534(5) ? C26 C28 . 1.535(5) ? C26 H26 . 1.0 ? C27 H27A . 0.98 ? C27 H27B . 0.98 ? C27 H27C . 0.98 ? C28 H28A . 0.98 ? C28 H28B . 0.98 ? C28 H28C . 0.98 ? C29 N7 . 1.347(4) ? C29 C30 . 1.373(5) ? C29 H29 . 0.95 ? C30 C31 . 1.398(4) ? C30 H30 . 0.95 ? C31 N6 . 1.339(3) ? C31 H31 . 0.95 ? C32 N9 . 1.342(3) ? C32 C33 . 1.374(4) ? C32 H32 . 0.95 ? C33 C34 . 1.397(4) ? C33 H33 . 0.95 ? C34 N8 . 1.336(3) ? C34 H34 . 0.95 ? C35 N10 . 1.271(3) ? C35 C36 . 1.488(4) ? C35 H35 . 0.95 ? C36 H36A . 0.98 ? C36 H36B . 0.98 ? C36 H36C . 0.98 ? C37 F1 . 1.323(10) ? C37 F2 . 1.365(10) ? C37 F3 . 1.373(10) ? C37 S1 . 1.838(10) ? C38 F5 . 1.328(4) ? C38 F6 . 1.331(4) ? C38 F4 . 1.340(4) ? C38 S2 . 1.824(3) ? C27A H27D . 0.98 ? C27A H27E . 0.98 ? C27A H27F . 0.98 ? C28A H28D . 0.98 ? C28A H28E . 0.98 ? C28A H28F . 0.98 ? C37A F1A . 1.311(12) ? C37A F3A . 1.341(13) ? C37A F2A . 1.346(12) ? C37A S1A . 1.822(13) ? N1 N2 . 1.362(3) ? N1 Ru1 . 2.107(2) ? N3 N4 . 1.362(3) ? N3 Ru1 . 2.106(2) ? N5 Ru1 . 2.138(2) ? N6 N7 . 1.363(3) ? N6 Ru2 . 2.086(2) ? N8 N9 . 1.365(3) ? N8 Ru2 . 2.108(2) ? N10 Ru2 . 2.134(2) ? O1 S1 . 1.443(9) ? O2 S1 . 1.448(8) ? O3 S1 . 1.459(9) ? O4 S2 . 1.438(2) ? O5 S2 . 1.437(2) ? O6 S2 . 1.437(2) ? O1A S1A . 1.419(11) ? O2A S1A . 1.424(11) ? O3A S1A . 1.425(11) ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag N4 B1 N2 . . 106.8(2) ? N4 B1 N5 . . 102.6(2) ? N2 B1 N5 . . 102.2(2) ? N4 B1 H1B . . 112.1(17) ? N2 B1 H1B . . 112.5(17) ? N5 B1 H1B . . 119.5(17) ? N7 B2 N9 . . 106.6(2) ? N7 B2 N10 . . 103.5(2) ? N9 B2 N10 . . 102.4(2) ? N7 B2 H2B . . 114.5(16) ? N9 B2 H2B . . 111.3(16) ? N10 B2 H2B . . 117.3(16) ? C6 C1 C2 . . 117.9(2) ? C6 C1 C7 . . 120.4(3) ? C2 C1 C7 . . 121.7(3) ? C6 C1 Ru1 . . 70.77(16) ? C2 C1 Ru1 . . 69.80(15) ? C7 C1 Ru1 . . 130.5(2) ? C3 C2 C1 . . 121.2(2) ? C3 C2 Ru1 . . 71.34(15) ? C1 C2 Ru1 . . 72.45(15) ? C3 C2 H2 . . 118.9 ? C1 C2 H2 . . 118.9 ? Ru1 C2 H2 . . 118.9 ? C2 C3 C4 . . 120.7(2) ? C2 C3 Ru1 . . 71.30(15) ? C4 C3 Ru1 . . 71.02(15) ? C2 C3 H3 . . 119.0 ? C4 C3 H3 . . 119.0 ? Ru1 C3 H3 . . 119.0 ? C5 C4 C3 . . 117.8(2) ? C5 C4 C8 . . 121.1(2) ? C3 C4 C8 . . 121.1(2) ? C5 C4 Ru1 . . 71.21(15) ? C3 C4 Ru1 . . 70.80(15) ? C8 C4 Ru1 . . 128.86(19) ? C4 C5 C6 . . 121.1(2) ? C4 C5 Ru1 . . 71.44(15) ? C6 C5 Ru1 . . 71.60(15) ? C4 C5 H5 . . 118.8 ? C6 C5 H5 . . 118.8 ? Ru1 C5 H5 . . 118.8 ? C1 C6 C5 . . 121.2(2) ? C1 C6 Ru1 . . 72.42(15) ? C5 C6 Ru1 . . 70.60(15) ? C1 C6 H6 . . 118.7 ? C5 C6 H6 . . 118.7 ? Ru1 C6 H6 . . 118.7 ? C1 C7 H7A . . 109.5 ? C1 C7 H7B . . 109.5 ? H7A C7 H7B . . 109.5 ? C1 C7 H7C . . 109.5 ? H7A C7 H7C . . 109.5 ? H7B C7 H7C . . 109.5 ? C4 C8 C10 . . 113.0(2) ? C4 C8 C9 . . 109.6(2) ? C10 C8 C9 . . 111.6(3) ? C4 C8 H8 . . 107.5 ? C10 C8 H8 . . 107.5 ? C9 C8 H8 . . 107.5 ? C8 C9 H9A . . 109.5 ? C8 C9 H9B . . 109.5 ? H9A C9 H9B . . 109.5 ? C8 C9 H9C . . 109.5 ? H9A C9 H9C . . 109.5 ? H9B C9 H9C . . 109.5 ? C8 C10 H10A . . 109.5 ? C8 C10 H10B . . 109.5 ? H10A C10 H10B . . 109.5 ? C8 C10 H10C . . 109.5 ? H10A C10 H10C . . 109.5 ? H10B C10 H10C . . 109.5 ? N2 C11 C12 . . 108.3(3) ? N2 C11 H11 . . 125.8 ? C12 C11 H11 . . 125.8 ? C11 C12 C13 . . 105.6(3) ? C11 C12 H12 . . 127.2 ? C13 C12 H12 . . 127.2 ? N1 C13 C12 . . 109.6(3) ? N1 C13 H13 . . 125.2 ? C12 C13 H13 . . 125.2 ? N4 C14 C15 . . 108.5(3) ? N4 C14 H14 . . 125.8 ? C15 C14 H14 . . 125.8 ? C14 C15 C16 . . 105.2(2) ? C14 C15 H15 . . 127.4 ? C16 C15 H15 . . 127.4 ? N3 C16 C15 . . 109.5(3) ? N3 C16 H16 . . 125.2 ? C15 C16 H16 . . 125.2 ? N5 C17 C18 . . 128.2(3) ? N5 C17 H17 . . 115.9 ? C18 C17 H17 . . 115.9 ? C17 C18 H18A . . 109.5 ? C17 C18 H18B . . 109.5 ? H18A C18 H18B . . 109.5 ? C17 C18 H18C . . 109.5 ? H18A C18 H18C . . 109.5 ? H18B C18 H18C . . 109.5 ? C20 C19 C24 . . 118.0(2) ? C20 C19 C25 . . 120.0(2) ? C24 C19 C25 . . 122.0(2) ? C20 C19 Ru2 . . 70.23(14) ? C24 C19 Ru2 . . 70.30(14) ? C25 C19 Ru2 . . 129.72(18) ? C19 C20 C21 . . 120.9(2) ? C19 C20 Ru2 . . 72.49(14) ? C21 C20 Ru2 . . 71.83(14) ? C19 C20 H20 . . 119.1 ? C21 C20 H20 . . 119.1 ? Ru2 C20 H20 . . 119.1 ? C22 C21 C20 . . 121.2(2) ? C22 C21 Ru2 . . 72.53(14) ? C20 C21 Ru2 . . 70.19(14) ? C22 C21 H21 . . 118.7 ? C20 C21 H21 . . 118.7 ? Ru2 C21 H21 . . 118.7 ? C21 C22 C23 . . 118.1(2) ? C21 C22 C26 . . 122.8(2) ? C23 C22 C26 . . 119.2(2) ? C21 C22 Ru2 . . 70.67(15) ? C23 C22 Ru2 . . 69.75(14) ? C26 C22 Ru2 . . 130.90(18) ? C24 C23 C22 . . 120.8(2) ? C24 C23 Ru2 . . 71.37(15) ? C22 C23 Ru2 . . 72.31(14) ? C24 C23 H23 . . 119.1 ? C22 C23 H23 . . 119.1 ? Ru2 C23 H23 . . 119.1 ? C23 C24 C19 . . 121.0(2) ? C23 C24 Ru2 . . 71.42(14) ? C19 C24 Ru2 . . 71.67(14) ? C23 C24 H24 . . 118.9 ? C19 C24 H24 . . 118.9 ? Ru2 C24 H24 . . 118.9 ? C19 C25 H25A . . 109.5 ? C19 C25 H25B . . 109.5 ? H25A C25 H25B . . 109.5 ? C19 C25 H25C . . 109.5 ? H25A C25 H25C . . 109.5 ? H25B C25 H25C . . 109.5 ? C28A C26 C27A . . 113.7(8) ? C28A C26 C22 . . 112.4(7) ? C27A C26 C22 . . 108.1(7) ? C28A C26 C27 . . 129.2(8) ? C27A C26 C27 . . 22.3(6) ? C22 C26 C27 . . 109.0(3) ? C28A C26 C28 . . 24.4(7) ? C27A C26 C28 . . 91.4(7) ? C22 C26 C28 . . 113.7(3) ? C27 C26 C28 . . 110.2(3) ? C28A C26 H26 . . 86.1 ? C27A C26 H26 . . 127.0 ? C22 C26 H26 . . 107.9 ? C27 C26 H26 . . 107.9 ? C28 C26 H26 . . 107.9 ? C26 C27 H27A . . 109.5 ? C26 C27 H27B . . 109.5 ? C26 C27 H27C . . 109.5 ? C26 C28 H28A . . 109.5 ? C26 C28 H28B . . 109.5 ? C26 C28 H28C . . 109.5 ? N7 C29 C30 . . 108.6(3) ? N7 C29 H29 . . 125.7 ? C30 C29 H29 . . 125.7 ? C29 C30 C31 . . 105.4(3) ? C29 C30 H30 . . 127.3 ? C31 C30 H30 . . 127.3 ? N6 C31 C30 . . 109.4(3) ? N6 C31 H31 . . 125.3 ? C30 C31 H31 . . 125.3 ? N9 C32 C33 . . 108.3(3) ? N9 C32 H32 . . 125.9 ? C33 C32 H32 . . 125.9 ? C32 C33 C34 . . 105.5(2) ? C32 C33 H33 . . 127.2 ? C34 C33 H33 . . 127.2 ? N8 C34 C33 . . 109.6(2) ? N8 C34 H34 . . 125.2 ? C33 C34 H34 . . 125.2 ? N10 C35 C36 . . 128.1(3) ? N10 C35 H35 . . 116.0 ? C36 C35 H35 . . 116.0 ? C35 C36 H36A . . 109.5 ? C35 C36 H36B . . 109.5 ? H36A C36 H36B . . 109.5 ? C35 C36 H36C . . 109.5 ? H36A C36 H36C . . 109.5 ? H36B C36 H36C . . 109.5 ? F1 C37 F2 . . 104.3(8) ? F1 C37 F3 . . 104.9(8) ? F2 C37 F3 . . 113.1(9) ? F1 C37 S1 . . 117.4(8) ? F2 C37 S1 . . 114.7(8) ? F3 C37 S1 . . 102.3(8) ? F5 C38 F6 . . 107.3(3) ? F5 C38 F4 . . 107.7(3) ? F6 C38 F4 . . 106.4(3) ? F5 C38 S2 . . 112.3(2) ? F6 C38 S2 . . 112.0(2) ? F4 C38 S2 . . 110.7(2) ? C26 C27A H27D . . 109.5 ? C26 C27A H27E . . 109.5 ? H27D C27A H27E . . 109.5 ? C26 C27A H27F . . 109.5 ? H27D C27A H27F . . 109.5 ? H27E C27A H27F . . 109.5 ? C26 C28A H28D . . 109.5 ? C26 C28A H28E . . 109.5 ? H28D C28A H28E . . 109.5 ? C26 C28A H28F . . 109.5 ? H28D C28A H28F . . 109.5 ? H28E C28A H28F . . 109.5 ? F1A C37A F3A . . 105.4(11) ? F1A C37A F2A . . 113.3(12) ? F3A C37A F2A . . 105.2(11) ? F1A C37A S1A . . 105.0(11) ? F3A C37A S1A . . 123.1(12) ? F2A C37A S1A . . 105.0(10) ? C13 N1 N2 . . 107.1(2) ? C13 N1 Ru1 . . 137.9(2) ? N2 N1 Ru1 . . 114.24(16) ? C11 N2 N1 . . 109.3(3) ? C11 N2 B1 . . 136.8(3) ? N1 N2 B1 . . 113.9(2) ? C16 N3 N4 . . 107.2(2) ? C16 N3 Ru1 . . 138.86(19) ? N4 N3 Ru1 . . 113.93(16) ? C14 N4 N3 . . 109.6(2) ? C14 N4 B1 . . 135.5(3) ? N3 N4 B1 . . 114.8(2) ? C17 N5 B1 . . 119.4(3) ? C17 N5 Ru1 . . 138.4(2) ? B1 N5 Ru1 . . 102.25(17) ? C31 N6 N7 . . 107.3(2) ? C31 N6 Ru2 . . 138.47(19) ? N7 N6 Ru2 . . 114.12(17) ? C29 N7 N6 . . 109.2(2) ? C29 N7 B2 . . 136.2(3) ? N6 N7 B2 . . 114.4(2) ? C34 N8 N9 . . 106.9(2) ? C34 N8 Ru2 . . 139.36(19) ? N9 N8 Ru2 . . 113.71(16) ? C32 N9 N8 . . 109.7(2) ? C32 N9 B2 . . 135.9(2) ? N8 N9 B2 . . 113.7(2) ? C35 N10 B2 . . 119.4(2) ? C35 N10 Ru2 . . 138.2(2) ? B2 N10 Ru2 . . 102.39(16) ? N3 Ru1 N1 . . 82.67(9) ? N3 Ru1 N5 . . 77.08(9) ? N1 Ru1 N5 . . 77.82(9) ? N3 Ru1 C2 . . 97.05(9) ? N1 Ru1 C2 . . 117.93(10) ? N5 Ru1 C2 . . 162.72(9) ? N3 Ru1 C3 . . 122.99(9) ? N1 Ru1 C3 . . 92.64(10) ? N5 Ru1 C3 . . 156.91(9) ? C2 Ru1 C3 . . 37.36(10) ? N3 Ru1 C5 . . 156.07(9) ? N1 Ru1 C5 . . 119.98(9) ? N5 Ru1 C5 . . 99.02(10) ? C2 Ru1 C5 . . 79.67(10) ? C3 Ru1 C5 . . 67.38(10) ? N3 Ru1 C4 . . 160.71(9) ? N1 Ru1 C4 . . 92.81(9) ? N5 Ru1 C4 . . 120.43(9) ? C2 Ru1 C4 . . 68.46(10) ? C3 Ru1 C4 . . 38.18(10) ? C5 Ru1 C4 . . 37.35(10) ? N3 Ru1 C6 . . 119.11(9) ? N1 Ru1 C6 . . 157.75(10) ? N5 Ru1 C6 . . 101.43(10) ? C2 Ru1 C6 . . 66.92(10) ? C3 Ru1 C6 . . 79.49(10) ? C5 Ru1 C6 . . 37.81(10) ? C4 Ru1 C6 . . 68.12(10) ? N3 Ru1 C1 . . 95.13(9) ? N1 Ru1 C1 . . 155.37(10) ? N5 Ru1 C1 . . 125.77(9) ? C2 Ru1 C1 . . 37.76(10) ? C3 Ru1 C1 . . 67.92(10) ? C5 Ru1 C1 . . 67.69(10) ? C4 Ru1 C1 . . 81.18(10) ? C6 Ru1 C1 . . 36.81(10) ? N6 Ru2 N8 . . 82.63(9) ? N6 Ru2 N10 . . 77.17(9) ? N8 Ru2 N10 . . 77.51(9) ? N6 Ru2 C20 . . 119.34(9) ? N8 Ru2 C20 . . 157.04(9) ? N10 Ru2 C20 . . 99.80(9) ? N6 Ru2 C24 . . 93.94(9) ? N8 Ru2 C24 . . 120.83(9) ? N10 Ru2 C24 . . 158.87(9) ? C20 Ru2 C24 . . 67.61(10) ? N6 Ru2 C23 . . 119.36(9) ? N8 Ru2 C23 . . 95.27(9) ? N10 Ru2 C23 . . 161.36(9) ? C20 Ru2 C23 . . 80.09(10) ? C24 Ru2 C23 . . 37.20(9) ? N6 Ru2 C21 . . 157.17(9) ? N8 Ru2 C21 . . 119.57(9) ? N10 Ru2 C21 . . 101.20(9) ? C20 Ru2 C21 . . 37.99(9) ? C24 Ru2 C21 . . 79.53(9) ? C23 Ru2 C21 . . 67.17(10) ? N6 Ru2 C19 . . 93.49(9) ? N8 Ru2 C19 . . 158.47(9) ? N10 Ru2 C19 . . 122.43(9) ? C20 Ru2 C19 . . 37.28(9) ? C24 Ru2 C19 . . 38.04(9) ? C23 Ru2 C19 . . 68.13(10) ? C21 Ru2 C19 . . 67.86(9) ? N6 Ru2 C22 . . 157.03(9) ? N8 Ru2 C22 . . 94.60(9) ? N10 Ru2 C22 . . 124.67(9) ? C20 Ru2 C22 . . 67.89(10) ? C24 Ru2 C22 . . 67.82(9) ? C23 Ru2 C22 . . 37.94(9) ? C21 Ru2 C22 . . 36.80(9) ? C19 Ru2 C22 . . 80.72(9) ? O1 S1 O2 . . 112.0(7) ? O1 S1 O3 . . 111.5(8) ? O2 S1 O3 . . 111.6(7) ? O1 S1 C37 . . 109.3(7) ? O2 S1 C37 . . 102.4(9) ? O3 S1 C37 . . 109.5(7) ? O5 S2 O6 . . 115.09(15) ? O5 S2 O4 . . 115.36(13) ? O6 S2 O4 . . 115.02(15) ? O5 S2 C38 . . 102.64(14) ? O6 S2 C38 . . 103.17(15) ? O4 S2 C38 . . 102.94(15) ? O1A S1A O2A . . 120.4(9) ? O1A S1A O3A . . 121.0(9) ? O2A S1A O3A . . 115.5(9) ? O1A S1A C37A . . 89.3(10) ? O2A S1A C37A . . 102.7(12) ? O3A S1A C37A . . 96.0(10) ? 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_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag C6 C1 C2 C3 . . . . -0.6(4) ? C7 C1 C2 C3 . . . . 179.8(3) ? Ru1 C1 C2 C3 . . . . -54.3(2) ? C6 C1 C2 Ru1 . . . . 53.7(2) ? C7 C1 C2 Ru1 . . . . -125.9(3) ? C1 C2 C3 C4 . . . . 1.7(4) ? Ru1 C2 C3 C4 . . . . -53.1(2) ? C1 C2 C3 Ru1 . . . . 54.8(2) ? C2 C3 C4 C5 . . . . -2.1(4) ? Ru1 C3 C4 C5 . . . . -55.3(2) ? C2 C3 C4 C8 . . . . 177.7(3) ? Ru1 C3 C4 C8 . . . . 124.5(2) ? C2 C3 C4 Ru1 . . . . 53.2(2) ? C3 C4 C5 C6 . . . . 1.4(4) ? C8 C4 C5 C6 . . . . -178.4(2) ? Ru1 C4 C5 C6 . . . . -53.7(2) ? C3 C4 C5 Ru1 . . . . 55.1(2) ? C8 C4 C5 Ru1 . . . . -124.7(2) ? C2 C1 C6 C5 . . . . -0.1(4) ? C7 C1 C6 C5 . . . . 179.5(3) ? Ru1 C1 C6 C5 . . . . 53.1(2) ? C2 C1 C6 Ru1 . . . . -53.2(2) ? C7 C1 C6 Ru1 . . . . 126.4(3) ? C4 C5 C6 C1 . . . . -0.3(4) ? Ru1 C5 C6 C1 . . . . -54.0(2) ? C4 C5 C6 Ru1 . . . . 53.6(2) ? C5 C4 C8 C10 . . . . 41.0(4) ? C3 C4 C8 C10 . . . . -138.8(3) ? Ru1 C4 C8 C10 . . . . -49.2(4) ? C5 C4 C8 C9 . . . . -84.2(3) ? C3 C4 C8 C9 . . . . 96.1(3) ? Ru1 C4 C8 C9 . . . . -174.3(2) ? N2 C11 C12 C13 . . . . -0.3(3) ? C11 C12 C13 N1 . . . . 0.7(3) ? N4 C14 C15 C16 . . . . 0.8(3) ? C14 C15 C16 N3 . . . . -0.7(3) ? C24 C19 C20 C21 . . . . 1.8(4) ? C25 C19 C20 C21 . . . . -179.6(2) ? Ru2 C19 C20 C21 . . . . 55.2(2) ? C24 C19 C20 Ru2 . . . . -53.4(2) ? C25 C19 C20 Ru2 . . . . 125.2(2) ? C19 C20 C21 C22 . . . . -1.8(4) ? Ru2 C20 C21 C22 . . . . 53.8(2) ? C19 C20 C21 Ru2 . . . . -55.5(2) ? C20 C21 C22 C23 . . . . 0.2(4) ? Ru2 C21 C22 C23 . . . . 52.9(2) ? C20 C21 C22 C26 . . . . -179.5(2) ? Ru2 C21 C22 C26 . . . . -126.8(2) ? C20 C21 C22 Ru2 . . . . -52.7(2) ? C21 C22 C23 C24 . . . . 1.2(4) ? C26 C22 C23 C24 . . . . -179.1(2) ? Ru2 C22 C23 C24 . . . . 54.5(2) ? C21 C22 C23 Ru2 . . . . -53.4(2) ? C26 C22 C23 Ru2 . . . . 126.4(2) ? C22 C23 C24 C19 . . . . -1.1(4) ? Ru2 C23 C24 C19 . . . . 53.9(2) ? C22 C23 C24 Ru2 . . . . -55.0(2) ? C20 C19 C24 C23 . . . . -0.5(4) ? C25 C19 C24 C23 . . . . -179.0(2) ? Ru2 C19 C24 C23 . . . . -53.8(2) ? C20 C19 C24 Ru2 . . . . 53.3(2) ? C25 C19 C24 Ru2 . . . . -125.2(2) ? C21 C22 C26 C28A . . . . 37.3(10) ? C23 C22 C26 C28A . . . . -142.5(9) ? Ru2 C22 C26 C28A . . . . -54.8(10) ? C21 C22 C26 C27A . . . . -89.1(9) ? C23 C22 C26 C27A . . . . 91.2(9) ? Ru2 C22 C26 C27A . . . . 178.9(8) ? C21 C22 C26 C27 . . . . -112.6(4) ? C23 C22 C26 C27 . . . . 67.7(4) ? Ru2 C22 C26 C27 . . . . 155.3(3) ? C21 C22 C26 C28 . . . . 10.8(5) ? C23 C22 C26 C28 . . . . -169.0(4) ? Ru2 C22 C26 C28 . . . . -81.3(4) ? N7 C29 C30 C31 . . . . 0.7(3) ? C29 C30 C31 N6 . . . . -0.8(3) ? N9 C32 C33 C34 . . . . -0.1(3) ? C32 C33 C34 N8 . . . . 0.4(3) ? C12 C13 N1 N2 . . . . -0.9(3) ? C12 C13 N1 Ru1 . . . . 168.6(2) ? C12 C11 N2 N1 . . . . -0.3(3) ? C12 C11 N2 B1 . . . . 177.9(3) ? C13 N1 N2 C11 . . . . 0.7(3) ? Ru1 N1 N2 C11 . . . . -171.55(17) ? C13 N1 N2 B1 . . . . -177.9(2) ? Ru1 N1 N2 B1 . . . . 9.8(3) ? N4 B1 N2 C11 . . . . -115.2(3) ? N5 B1 N2 C11 . . . . 137.5(3) ? N4 B1 N2 N1 . . . . 62.9(3) ? N5 B1 N2 N1 . . . . -44.3(3) ? C15 C16 N3 N4 . . . . 0.2(3) ? C15 C16 N3 Ru1 . . . . -179.6(2) ? C15 C14 N4 N3 . . . . -0.7(3) ? C15 C14 N4 B1 . . . . -178.1(3) ? C16 N3 N4 C14 . . . . 0.3(3) ? Ru1 N3 N4 C14 . . . . -179.87(18) ? C16 N3 N4 B1 . . . . 178.3(2) ? Ru1 N3 N4 B1 . . . . -1.9(3) ? N2 B1 N4 C14 . . . . 108.8(3) ? N5 B1 N4 C14 . . . . -144.2(3) ? N2 B1 N4 N3 . . . . -68.5(3) ? N5 B1 N4 N3 . . . . 38.5(3) ? C18 C17 N5 B1 . . . . -179.9(3) ? C18 C17 N5 Ru1 . . . . 0.9(5) ? N4 B1 N5 C17 . . . . 125.7(3) ? N2 B1 N5 C17 . . . . -123.8(3) ? N4 B1 N5 Ru1 . . . . -54.8(2) ? N2 B1 N5 Ru1 . . . . 55.7(2) ? C30 C31 N6 N7 . . . . 0.6(3) ? C30 C31 N6 Ru2 . . . . 176.5(2) ? C30 C29 N7 N6 . . . . -0.4(3) ? C30 C29 N7 B2 . . . . -173.9(3) ? C31 N6 N7 C29 . . . . -0.1(3) ? Ru2 N6 N7 C29 . . . . -177.13(17) ? C31 N6 N7 B2 . . . . 175.0(2) ? Ru2 N6 N7 B2 . . . . -2.1(3) ? N9 B2 N7 C29 . . . . 104.2(3) ? N10 B2 N7 C29 . . . . -148.2(3) ? N9 B2 N7 N6 . . . . -69.1(3) ? N10 B2 N7 N6 . . . . 38.5(3) ? C33 C34 N8 N9 . . . . -0.6(3) ? C33 C34 N8 Ru2 . . . . 177.8(2) ? C33 C32 N9 N8 . . . . -0.2(3) ? C33 C32 N9 B2 . . . . 169.8(3) ? C34 N8 N9 C32 . . . . 0.5(3) ? Ru2 N8 N9 C32 . . . . -178.33(18) ? C34 N8 N9 B2 . . . . -172.0(2) ? Ru2 N8 N9 B2 . . . . 9.2(3) ? N7 B2 N9 C32 . . . . -105.9(4) ? N10 B2 N9 C32 . . . . 145.7(3) ? N7 B2 N9 N8 . . . . 63.9(3) ? N10 B2 N9 N8 . . . . -44.5(3) ? C36 C35 N10 B2 . . . . -179.0(3) ? C36 C35 N10 Ru2 . . . . -1.6(5) ? N7 B2 N10 C35 . . . . 124.0(3) ? N9 B2 N10 C35 . . . . -125.3(3) ? N7 B2 N10 Ru2 . . . . -54.3(2) ? N9 B2 N10 Ru2 . . . . 56.5(2) ? C16 N3 Ru1 N1 . . . . -126.3(3) ? N4 N3 Ru1 N1 . . . . 53.95(17) ? C16 N3 Ru1 N5 . . . . 154.6(3) ? N4 N3 Ru1 N5 . . . . -25.17(17) ? C16 N3 Ru1 C2 . . . . -8.9(3) ? N4 N3 Ru1 C2 . . . . 171.34(17) ? C16 N3 Ru1 C3 . . . . -37.9(3) ? N4 N3 Ru1 C3 . . . . 142.33(17) ? C16 N3 Ru1 C5 . . . . 71.5(4) ? N4 N3 Ru1 C5 . . . . -108.3(3) ? C16 N3 Ru1 C4 . . . . -48.8(4) ? N4 N3 Ru1 C4 . . . . 131.4(3) ? C16 N3 Ru1 C6 . . . . 58.6(3) ? N4 N3 Ru1 C6 . . . . -121.20(18) ? C16 N3 Ru1 C1 . . . . 29.1(3) ? N4 N3 Ru1 C1 . . . . -150.73(18) ? C13 N1 Ru1 N3 . . . . 132.1(3) ? N2 N1 Ru1 N3 . . . . -58.92(17) ? C13 N1 Ru1 N5 . . . . -149.6(3) ? N2 N1 Ru1 N5 . . . . 19.37(17) ? C13 N1 Ru1 C2 . . . . 38.0(3) ? N2 N1 Ru1 C2 . . . . -153.05(17) ? C13 N1 Ru1 C3 . . . . 9.2(3) ? N2 N1 Ru1 C3 . . . . 178.14(18) ? C13 N1 Ru1 C5 . . . . -56.1(3) ? N2 N1 Ru1 C5 . . . . 112.85(18) ? C13 N1 Ru1 C4 . . . . -29.0(3) ? N2 N1 Ru1 C4 . . . . 139.91(18) ? C13 N1 Ru1 C6 . . . . -59.1(4) ? N2 N1 Ru1 C6 . . . . 109.8(3) ? C13 N1 Ru1 C1 . . . . 45.8(4) ? N2 N1 Ru1 C1 . . . . -145.2(2) ? C17 N5 Ru1 N3 . . . . -136.9(3) ? B1 N5 Ru1 N3 . . . . 43.76(16) ? C17 N5 Ru1 N1 . . . . 137.9(3) ? B1 N5 Ru1 N1 . . . . -41.40(16) ? C17 N5 Ru1 C2 . . . . -65.2(5) ? B1 N5 Ru1 C2 . . . . 115.5(3) ? C17 N5 Ru1 C3 . . . . 70.6(4) ? B1 N5 Ru1 C3 . . . . -108.7(3) ? C17 N5 Ru1 C5 . . . . 19.0(3) ? B1 N5 Ru1 C5 . . . . -160.30(17) ? C17 N5 Ru1 C4 . . . . 51.9(3) ? B1 N5 Ru1 C4 . . . . -127.47(17) ? C17 N5 Ru1 C6 . . . . -19.3(3) ? B1 N5 Ru1 C6 . . . . 161.33(17) ? C17 N5 Ru1 C1 . . . . -49.9(3) ? B1 N5 Ru1 C1 . . . . 130.76(17) ? C3 C2 Ru1 N3 . . . . -137.91(16) ? C1 C2 Ru1 N3 . . . . 89.28(16) ? C3 C2 Ru1 N1 . . . . -52.50(19) ? C1 C2 Ru1 N1 . . . . 174.69(15) ? C3 C2 Ru1 N5 . . . . 153.2(3) ? C1 C2 Ru1 N5 . . . . 20.4(4) ? C1 C2 Ru1 C3 . . . . -132.8(2) ? C3 C2 Ru1 C5 . . . . 66.08(17) ? C1 C2 Ru1 C5 . . . . -66.74(16) ? C3 C2 Ru1 C4 . . . . 28.90(16) ? C1 C2 Ru1 C4 . . . . -103.92(17) ? C3 C2 Ru1 C6 . . . . 103.39(18) ? C1 C2 Ru1 C6 . . . . -29.42(16) ? C3 C2 Ru1 C1 . . . . 132.8(2) ? C2 C3 Ru1 N3 . . . . 52.5(2) ? C4 C3 Ru1 N3 . . . . -174.17(14) ? C2 C3 Ru1 N1 . . . . 135.44(17) ? C4 C3 Ru1 N1 . . . . -91.20(16) ? C2 C3 Ru1 N5 . . . . -160.1(2) ? C4 C3 Ru1 N5 . . . . -26.7(3) ? C4 C3 Ru1 C2 . . . . 133.4(2) ? C2 C3 Ru1 C5 . . . . -103.04(18) ? C4 C3 Ru1 C5 . . . . 30.32(16) ? C2 C3 Ru1 C4 . . . . -133.4(2) ? C2 C3 Ru1 C6 . . . . -65.53(17) ? C4 C3 Ru1 C6 . . . . 67.83(17) ? C2 C3 Ru1 C1 . . . . -29.00(16) ? C4 C3 Ru1 C1 . . . . 104.36(17) ? C4 C5 Ru1 N3 . . . . -152.0(2) ? C6 C5 Ru1 N3 . . . . -18.6(3) ? C4 C5 Ru1 N1 . . . . 48.51(19) ? C6 C5 Ru1 N1 . . . . -178.13(15) ? C4 C5 Ru1 N5 . . . . 129.59(16) ? C6 C5 Ru1 N5 . . . . -97.05(16) ? C4 C5 Ru1 C2 . . . . -67.89(16) ? C6 C5 Ru1 C2 . . . . 65.47(16) ? C4 C5 Ru1 C3 . . . . -30.95(15) ? C6 C5 Ru1 C3 . . . . 102.40(17) ? C6 C5 Ru1 C4 . . . . 133.4(2) ? C4 C5 Ru1 C6 . . . . -133.4(2) ? C4 C5 Ru1 C1 . . . . -105.34(17) ? C6 C5 Ru1 C1 . . . . 28.02(15) ? C5 C4 Ru1 N3 . . . . 144.8(3) ? C3 C4 Ru1 N3 . . . . 15.0(4) ? C8 C4 Ru1 N3 . . . . -100.0(3) ? C5 C4 Ru1 N1 . . . . -139.49(16) ? C3 C4 Ru1 N1 . . . . 90.69(16) ? C8 C4 Ru1 N1 . . . . -24.2(3) ? C5 C4 Ru1 N5 . . . . -61.97(18) ? C3 C4 Ru1 N5 . . . . 168.21(15) ? C8 C4 Ru1 N5 . . . . 53.3(3) ? C5 C4 Ru1 C2 . . . . 101.51(17) ? C3 C4 Ru1 C2 . . . . -28.32(16) ? C8 C4 Ru1 C2 . . . . -143.2(3) ? C5 C4 Ru1 C3 . . . . 129.8(2) ? C8 C4 Ru1 C3 . . . . -114.9(3) ? C3 C4 Ru1 C5 . . . . -129.8(2) ? C8 C4 Ru1 C5 . . . . 115.2(3) ? C5 C4 Ru1 C6 . . . . 28.71(16) ? C3 C4 Ru1 C6 . . . . -101.12(17) ? C8 C4 Ru1 C6 . . . . 143.9(3) ? C5 C4 Ru1 C1 . . . . 64.53(16) ? C3 C4 Ru1 C1 . . . . -65.29(16) ? C8 C4 Ru1 C1 . . . . 179.8(3) ? C1 C6 Ru1 N3 . . . . -55.02(18) ? C5 C6 Ru1 N3 . . . . 171.48(15) ? C1 C6 Ru1 N1 . . . . 137.8(2) ? C5 C6 Ru1 N1 . . . . 4.3(3) ? C1 C6 Ru1 N5 . . . . -136.48(16) ? C5 C6 Ru1 N5 . . . . 90.02(16) ? C1 C6 Ru1 C2 . . . . 30.13(16) ? C5 C6 Ru1 C2 . . . . -103.37(18) ? C1 C6 Ru1 C3 . . . . 67.03(17) ? C5 C6 Ru1 C3 . . . . -66.48(16) ? C1 C6 Ru1 C5 . . . . 133.5(2) ? C1 C6 Ru1 C4 . . . . 105.12(18) ? C5 C6 Ru1 C4 . . . . -28.38(15) ? C5 C6 Ru1 C1 . . . . -133.5(2) ? C6 C1 Ru1 N3 . . . . 134.05(16) ? C2 C1 Ru1 N3 . . . . -94.90(16) ? C7 C1 Ru1 N3 . . . . 20.1(3) ? C6 C1 Ru1 N1 . . . . -142.4(2) ? C2 C1 Ru1 N1 . . . . -11.3(3) ? C7 C1 Ru1 N1 . . . . 103.7(3) ? C6 C1 Ru1 N5 . . . . 56.29(19) ? C2 C1 Ru1 N5 . . . . -172.66(15) ? C7 C1 Ru1 N5 . . . . -57.7(3) ? C6 C1 Ru1 C2 . . . . -131.0(2) ? C7 C1 Ru1 C2 . . . . 115.0(3) ? C6 C1 Ru1 C3 . . . . -102.33(18) ? C2 C1 Ru1 C3 . . . . 28.71(16) ? C7 C1 Ru1 C3 . . . . 143.7(3) ? C6 C1 Ru1 C5 . . . . -28.72(16) ? C2 C1 Ru1 C5 . . . . 102.32(18) ? C7 C1 Ru1 C5 . . . . -142.7(3) ? C6 C1 Ru1 C4 . . . . -65.03(17) ? C2 C1 Ru1 C4 . . . . 66.01(16) ? C7 C1 Ru1 C4 . . . . -179.0(3) ? C2 C1 Ru1 C6 . . . . 131.0(2) ? C7 C1 Ru1 C6 . . . . -114.0(3) ? C31 N6 Ru2 N8 . . . . -121.3(3) ? N7 N6 Ru2 N8 . . . . 54.44(17) ? C31 N6 Ru2 N10 . . . . 159.9(3) ? N7 N6 Ru2 N10 . . . . -24.35(16) ? C31 N6 Ru2 C20 . . . . 65.8(3) ? N7 N6 Ru2 C20 . . . . -118.50(17) ? C31 N6 Ru2 C24 . . . . -0.7(3) ? N7 N6 Ru2 C24 . . . . 175.04(17) ? C31 N6 Ru2 C23 . . . . -29.3(3) ? N7 N6 Ru2 C23 . . . . 146.36(16) ? C31 N6 Ru2 C21 . . . . 71.5(4) ? N7 N6 Ru2 C21 . . . . -112.8(3) ? C31 N6 Ru2 C19 . . . . 37.5(3) ? N7 N6 Ru2 C19 . . . . -146.84(17) ? C31 N6 Ru2 C22 . . . . -36.9(4) ? N7 N6 Ru2 C22 . . . . 138.8(2) ? C34 N8 Ru2 N6 . . . . 123.0(3) ? N9 N8 Ru2 N6 . . . . -58.72(18) ? C34 N8 Ru2 N10 . . . . -158.6(3) ? N9 N8 Ru2 N10 . . . . 19.70(18) ? C34 N8 Ru2 C20 . . . . -72.9(4) ? N9 N8 Ru2 C20 . . . . 105.3(3) ? C34 N8 Ru2 C24 . . . . 32.8(3) ? N9 N8 Ru2 C24 . . . . -148.92(17) ? C34 N8 Ru2 C23 . . . . 4.0(3) ? N9 N8 Ru2 C23 . . . . -177.71(18) ? C34 N8 Ru2 C21 . . . . -62.7(3) ? N9 N8 Ru2 C21 . . . . 115.61(18) ? C34 N8 Ru2 C19 . . . . 42.2(4) ? N9 N8 Ru2 C19 . . . . -139.5(2) ? C34 N8 Ru2 C22 . . . . -34.1(3) ? N9 N8 Ru2 C22 . . . . 144.22(18) ? C35 N10 Ru2 N6 . . . . -134.7(3) ? B2 N10 Ru2 N6 . . . . 43.01(17) ? C35 N10 Ru2 N8 . . . . 140.1(3) ? B2 N10 Ru2 N8 . . . . -42.16(17) ? C35 N10 Ru2 C20 . . . . -16.6(3) ? B2 N10 Ru2 C20 . . . . 161.08(17) ? C35 N10 Ru2 C24 . . . . -67.9(4) ? B2 N10 Ru2 C24 . . . . 109.8(3) ? C35 N10 Ru2 C23 . . . . 71.4(4) ? B2 N10 Ru2 C23 . . . . -110.9(3) ? C35 N10 Ru2 C21 . . . . 22.0(3) ? B2 N10 Ru2 C21 . . . . -160.28(17) ? C35 N10 Ru2 C19 . . . . -48.8(3) ? B2 N10 Ru2 C19 . . . . 128.95(17) ? C35 N10 Ru2 C22 . . . . 53.2(3) ? B2 N10 Ru2 C22 . . . . -129.10(17) ? C19 C20 Ru2 N6 . . . . -51.47(18) ? C21 C20 Ru2 N6 . . . . 176.38(14) ? C19 C20 Ru2 N8 . . . . 146.7(2) ? C21 C20 Ru2 N8 . . . . 14.6(3) ? C19 C20 Ru2 N10 . . . . -132.18(15) ? C21 C20 Ru2 N10 . . . . 95.68(16) ? C19 C20 Ru2 C24 . . . . 30.11(15) ? C21 C20 Ru2 C24 . . . . -102.03(17) ? C19 C20 Ru2 C23 . . . . 66.75(16) ? C21 C20 Ru2 C23 . . . . -65.40(16) ? C19 C20 Ru2 C21 . . . . 132.1(2) ? C21 C20 Ru2 C19 . . . . -132.1(2) ? C19 C20 Ru2 C22 . . . . 104.26(17) ? C21 C20 Ru2 C22 . . . . -27.89(15) ? C23 C24 Ru2 N6 . . . . -136.23(15) ? C19 C24 Ru2 N6 . . . . 90.63(15) ? C23 C24 Ru2 N8 . . . . -52.46(18) ? C19 C24 Ru2 N8 . . . . 174.40(14) ? C23 C24 Ru2 N10 . . . . 159.8(2) ? C19 C24 Ru2 N10 . . . . 26.7(3) ? C23 C24 Ru2 C20 . . . . 103.58(17) ? C19 C24 Ru2 C20 . . . . -29.55(14) ? C19 C24 Ru2 C23 . . . . -133.1(2) ? C23 C24 Ru2 C21 . . . . 65.84(16) ? C19 C24 Ru2 C21 . . . . -67.30(15) ? C23 C24 Ru2 C19 . . . . 133.1(2) ? C23 C24 Ru2 C22 . . . . 29.35(15) ? C19 C24 Ru2 C22 . . . . -103.79(16) ? C24 C23 Ru2 N6 . . . . 52.36(18) ? C22 C23 Ru2 N6 . . . . -175.23(14) ? C24 C23 Ru2 N8 . . . . 136.86(15) ? C22 C23 Ru2 N8 . . . . -90.73(15) ? C24 C23 Ru2 N10 . . . . -157.1(3) ? C22 C23 Ru2 N10 . . . . -24.7(4) ? C24 C23 Ru2 C20 . . . . -65.83(16) ? C22 C23 Ru2 C20 . . . . 66.58(15) ? C22 C23 Ru2 C24 . . . . 132.4(2) ? C24 C23 Ru2 C21 . . . . -103.22(17) ? C22 C23 Ru2 C21 . . . . 29.20(15) ? C24 C23 Ru2 C19 . . . . -28.98(15) ? C22 C23 Ru2 C19 . . . . 103.43(16) ? C24 C23 Ru2 C22 . . . . -132.4(2) ? C22 C21 Ru2 N6 . . . . -141.8(2) ? C20 C21 Ru2 N6 . . . . -8.1(3) ? C22 C21 Ru2 N8 . . . . 52.82(17) ? C20 C21 Ru2 N8 . . . . -173.51(14) ? C22 C21 Ru2 N10 . . . . 134.69(15) ? C20 C21 Ru2 N10 . . . . -91.63(16) ? C22 C21 Ru2 C20 . . . . -133.7(2) ? C22 C21 Ru2 C24 . . . . -66.81(16) ? C20 C21 Ru2 C24 . . . . 66.86(16) ? C22 C21 Ru2 C23 . . . . -30.04(15) ? C20 C21 Ru2 C23 . . . . 103.63(17) ? C22 C21 Ru2 C19 . . . . -104.67(17) ? C20 C21 Ru2 C19 . . . . 29.00(15) ? C20 C21 Ru2 C22 . . . . 133.7(2) ? C20 C19 Ru2 N6 . . . . 136.90(16) ? C24 C19 Ru2 N6 . . . . -91.93(15) ? C25 C19 Ru2 N6 . . . . 23.8(2) ? C20 C19 Ru2 N8 . . . . -144.4(2) ? C24 C19 Ru2 N8 . . . . -13.2(3) ? C25 C19 Ru2 N8 . . . . 102.5(3) ? C20 C19 Ru2 N10 . . . . 59.90(18) ? C24 C19 Ru2 N10 . . . . -168.94(14) ? C25 C19 Ru2 N10 . . . . -53.2(3) ? C24 C19 Ru2 C20 . . . . 131.2(2) ? C25 C19 Ru2 C20 . . . . -113.1(3) ? C20 C19 Ru2 C24 . . . . -131.2(2) ? C25 C19 Ru2 C24 . . . . 115.7(3) ? C20 C19 Ru2 C23 . . . . -102.77(17) ? C24 C19 Ru2 C23 . . . . 28.39(14) ? C25 C19 Ru2 C23 . . . . 144.1(3) ? C20 C19 Ru2 C21 . . . . -29.52(15) ? C24 C19 Ru2 C21 . . . . 101.65(16) ? C25 C19 Ru2 C21 . . . . -142.6(3) ? C20 C19 Ru2 C22 . . . . -65.48(16) ? C24 C19 Ru2 C22 . . . . 65.68(15) ? C25 C19 Ru2 C22 . . . . -178.6(3) ? C21 C22 Ru2 N6 . . . . 142.1(2) ? C23 C22 Ru2 N6 . . . . 10.7(3) ? C26 C22 Ru2 N6 . . . . -100.9(3) ? C21 C22 Ru2 N8 . . . . -135.96(15) ? C23 C22 Ru2 N8 . . . . 92.67(15) ? C26 C22 Ru2 N8 . . . . -18.9(2) ? C21 C22 Ru2 N10 . . . . -57.98(18) ? C23 C22 Ru2 N10 . . . . 170.65(14) ? C26 C22 Ru2 N10 . . . . 59.1(3) ? C21 C22 Ru2 C20 . . . . 28.72(15) ? C23 C22 Ru2 C20 . . . . -102.65(16) ? C26 C22 Ru2 C20 . . . . 145.8(3) ? C21 C22 Ru2 C24 . . . . 102.55(16) ? C23 C22 Ru2 C24 . . . . -28.82(15) ? C26 C22 Ru2 C24 . . . . -140.4(3) ? C21 C22 Ru2 C23 . . . . 131.4(2) ? C26 C22 Ru2 C23 . . . . -111.6(3) ? C23 C22 Ru2 C21 . . . . -131.4(2) ? C26 C22 Ru2 C21 . . . . 117.0(3) ? C21 C22 Ru2 C19 . . . . 65.22(16) ? C23 C22 Ru2 C19 . . . . -66.15(15) ? C26 C22 Ru2 C19 . . . . -177.7(3) ? F1 C37 S1 O1 . . . . 160.4(7) ? F2 C37 S1 O1 . . . . -76.6(9) ? F3 C37 S1 O1 . . . . 46.2(8) ? F1 C37 S1 O2 . . . . 41.4(9) ? F2 C37 S1 O2 . . . . 164.4(8) ? F3 C37 S1 O2 . . . . -72.7(8) ? F1 C37 S1 O3 . . . . -77.1(9) ? F2 C37 S1 O3 . . . . 45.9(10) ? F3 C37 S1 O3 . . . . 168.7(7) ? F5 C38 S2 O5 . . . . 178.2(2) ? F6 C38 S2 O5 . . . . 57.4(2) ? F4 C38 S2 O5 . . . . -61.3(3) ? F5 C38 S2 O6 . . . . 58.3(3) ? F6 C38 S2 O6 . . . . -62.5(3) ? F4 C38 S2 O6 . . . . 178.8(2) ? F5 C38 S2 O4 . . . . -61.6(3) ? F6 C38 S2 O4 . . . . 177.5(2) ? F4 C38 S2 O4 . . . . 58.9(3) ? F1A C37A S1A O1A . . . . -161.6(9) ? F3A C37A S1A O1A . . . . 78.1(12) ? F2A C37A S1A O1A . . . . -41.8(10) ? F1A C37A S1A O2A . . . . 77.3(10) ? F3A C37A S1A O2A . . . . -43.0(13) ? F2A C37A S1A O2A . . . . -162.9(10) ? F1A C37A S1A O3A . . . . -40.6(10) ? F3A C37A S1A O3A . . . . -160.8(11) ? F2A C37A S1A O3A . . . . 79.2(11) ? _database_code_depnum_ccdc_archive 'CCDC 963291'