# Supplementary Material (ESI) for Chemical Communications # This journal is (c) The Royal Society of Chemistry 2006 data_global _journal_name_full Chem.Commun. #======================================================================= _journal_coden_Cambridge 0182 _publ_contact_author # Name and address of author ; Therrien, Bruno Institut de Chimie, Universite de Neuchatel, Case postale 158, CH-2009 Neuchatel, Switzerland ; _publ_contact_author_phone '+41 32 718 2499' _publ_contact_author_fax '+41 32 718 2511' _publ_contact_author_email bruno.therrien@unine.ch #======================================================================= # 3. TITLE AND AUTHOR LIST # The loop structure below should contain the names and addresses of all # authors, in the required order of publication. Repeat as necessary. loop_ _publ_author_name _publ_author_address P.Govindaswamy ; Institut de Chimie, Universite de Neuchatel, Case postale 158, CH-2009 Neuchatel, Switzerland ; D.Linder ; Department of Organic Chemistry, University of Geneva, Quai E. Ansermet 30, CH-1211, Geneva 4, Switzerland ; J.Lacour ; Department of Organic Chemistry, University of Geneva, Quai E. Ansermet 30, CH-1211, Geneva 4, Switzerland ; G.Suss-Fink ; Institut de Chimie, Universite de Neuchatel, Case postale 158, CH-2009 Neuchatel, Switzerland ; B.Therrien ; Institut de Chimie, Universite de Neuchatel, Case postale 158, CH-2009 Neuchatel, Switzerland ; #======================================================================= # 4. TEXT _publ_section_references ; Sheldrick, G. M. (1990). "SHELXS-97 Program for Crystal Structure Determination", Acta Cryst., A46, 467-473. Sheldrick, G. M. (1997). SHELXL-97. Univ. of Gottingen, Gottingen, Germany. Stoe & Cie (2000). IPDS Software. Stoe & Cie GmbH, Darmstadt, Germany. ; _publ_section_acknowledgements ; This work was supported by the Swiss National Science Foundation (grant No 20-61227-00). ; _publ_section_title ; Self-assembled hexanuclear arene ruthenium metallo-prisms with unexpected double helical chirality ; _publ_contact_author_name 'Therrien, Bruno' _ccdc_publ_extra_info ; previously deposited for Inorg.Chem. - CCDC 600476 (now deleted) To be published with CCDC 600474-5 ; data_cp3 _database_code_depnum_ccdc_archive 'CCDC 600474' _audit_creation_method SHELXL-97 _chemical_name_systematic ; [Ru6(p-PriC6H4Me)6(tpt)2Cl6][O3SCF3]6 ; _chemical_name_common (Ru6(p-PriC6H4Me)6(tpt)2Cl6)(O3SCF3)6 _chemical_melting_point ? _chemical_formula_moiety 'C98H108Cl6N12Ru6, 6(CF3O3S), C3H6O' _chemical_formula_sum 'C105 H114 Cl6 F18 N12 O19 Ru6 S6' _chemical_formula_weight 3201.56 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' Cl Cl 0.1484 0.1585 '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' Ru Ru -1.2594 0.8363 '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' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M 'C 2/c' _symmetry_space_group_name_Hall '-C 2yc' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 76.294(6) _cell_length_b 18.2792(11) _cell_length_c 19.1459(10) _cell_angle_alpha 90.00 _cell_angle_beta 94.152(7) _cell_angle_gamma 90.00 _cell_volume 26631(3) _cell_formula_units_Z 8 _cell_measurement_temperature 203(2) _cell_measurement_reflns_used 8000 _cell_measurement_theta_min 2.05 _cell_measurement_theta_max 25.95 _exptl_crystal_description plate _exptl_crystal_colour orange _exptl_crystal_size_max 0.49 _exptl_crystal_size_mid 0.28 _exptl_crystal_size_min 0.17 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.597 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 12832 _exptl_absorpt_coefficient_mu 0.966 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.334 _exptl_absorpt_correction_T_max 0.605 _exptl_absorpt_process_details 'MULABS (PLATON03, Spek, 2003)' _exptl_special_details ; A crystal was mounted at 203K on a Stoe Image Plate Diffraction System (Stoe & Cie, 2000) using MoK\a graphite monochromated radiation. Image plate distance 70mm, \f oscillation scans 0 - 200\%, step \D\f = 0.6\%, 5 minutes per frame. ; _diffrn_ambient_temperature 203(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'STOE IPDS' _diffrn_measurement_method 'phi oscillation' _diffrn_detector_area_resol_mean 0.81\%A _diffrn_standards_number 0 _diffrn_standards_interval_count ? _diffrn_standards_interval_time 0 _diffrn_standards_decay_% 0 _diffrn_reflns_number 69317 _diffrn_reflns_av_R_equivalents 0.0625 _diffrn_reflns_av_sigmaI/netI 0.1044 _diffrn_reflns_limit_h_min -92 _diffrn_reflns_limit_h_max 93 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_theta_min 2.09 _diffrn_reflns_theta_max 25.95 _reflns_number_total 25133 _reflns_number_gt 14128 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'EXPOSE (Stoe IPDS Software, 2000)' _computing_cell_refinement 'CELL (Stoe IPDS Software, 2000)' _computing_data_reduction 'INTEGRATE (Stoe IPDS Software, 2000)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'ORTEP-32 (Farrugia, 1997)' _computing_publication_material 'SHELXL-97 (Sheldrick, 1997)' _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^)+(0.1596P)^2^] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 25133 _refine_ls_number_parameters 1257 _refine_ls_number_restraints 16 _refine_ls_R_factor_all 0.1619 _refine_ls_R_factor_gt 0.1144 _refine_ls_wR_factor_ref 0.3369 _refine_ls_wR_factor_gt 0.3127 _refine_ls_goodness_of_fit_ref 1.334 _refine_ls_restrained_S_all 1.334 _refine_ls_shift/su_max 0.001 _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 C1 C 0.0436(2) 0.9940(8) 0.7638(9) 0.043(4) Uani 1 1 d . . . C2 C 0.0294(2) 0.9456(8) 0.7548(8) 0.038(4) Uani 1 1 d . . . H2 H 0.0262 0.9187 0.7931 0.046 Uiso 1 1 calc R . . C3 C 0.0204(2) 0.9370(9) 0.6938(10) 0.045(4) Uani 1 1 d . . . H3 H 0.0110 0.9046 0.6907 0.054 Uiso 1 1 calc R . . C4 C 0.0248(2) 0.9767(9) 0.6304(9) 0.044(4) Uani 1 1 d . . . C5 C 0.0389(2) 1.0223(8) 0.6386(10) 0.049(4) Uani 1 1 d . . . H5 H 0.0424 1.0470 0.5996 0.058 Uiso 1 1 calc R . . C6 C 0.0486(2) 1.0340(7) 0.7047(8) 0.038(3) Uani 1 1 d . . . H6 H 0.0579 1.0670 0.7088 0.045 Uiso 1 1 calc R . . C7 C 0.0542(3) 1.0007(10) 0.8348(9) 0.058(5) Uani 1 1 d . . . H7 H 0.0552 0.9518 0.8557 0.070 Uiso 1 1 calc R . . C8 C 0.0434(3) 1.0464(14) 0.8796(13) 0.081(7) Uani 1 1 d . . . H8A H 0.0412 1.0930 0.8577 0.122 Uiso 1 1 calc R . . H8B H 0.0496 1.0534 0.9245 0.122 Uiso 1 1 calc R . . H8C H 0.0325 1.0222 0.8856 0.122 Uiso 1 1 calc R . . C9 C 0.0727(3) 1.0320(12) 0.8324(13) 0.073(6) Uani 1 1 d . . . H9A H 0.0789 1.0054 0.7987 0.110 Uiso 1 1 calc R . . H9B H 0.0789 1.0276 0.8777 0.110 Uiso 1 1 calc R . . H9C H 0.0720 1.0827 0.8192 0.110 Uiso 1 1 calc R . . C10 C 0.0157(3) 0.9625(12) 0.5652(11) 0.065(5) Uani 1 1 d . . . H10A H 0.0234 0.9389 0.5349 0.097 Uiso 1 1 calc R . . H10B H 0.0116 1.0077 0.5444 0.097 Uiso 1 1 calc R . . H10C H 0.0058 0.9312 0.5718 0.097 Uiso 1 1 calc R . . C11 C 0.0618(2) 0.6329(8) 0.7815(9) 0.047(4) Uani 1 1 d . . . C12 C 0.0573(2) 0.6010(9) 0.7139(10) 0.050(4) Uani 1 1 d . . . H12 H 0.0654 0.5706 0.6942 0.060 Uiso 1 1 calc R . . C13 C 0.0411(2) 0.6147(8) 0.6768(10) 0.049(4) Uani 1 1 d . . . H13 H 0.0387 0.5942 0.6328 0.059 Uiso 1 1 calc R . . C14 C 0.0282(2) 0.6605(8) 0.7067(10) 0.046(4) Uani 1 1 d . . . C15 C 0.0327(2) 0.6934(9) 0.7736(9) 0.046(4) Uani 1 1 d . . . H15 H 0.0248 0.7233 0.7946 0.055 Uiso 1 1 calc R . . C16 C 0.0502(3) 0.6789(9) 0.8082(10) 0.052(4) Uani 1 1 d . . . H16 H 0.0533 0.7024 0.8503 0.062 Uiso 1 1 calc R . . C17 C 0.0798(3) 0.6171(10) 0.8192(12) 0.068(6) Uani 1 1 d . . . H17 H 0.0886 0.6184 0.7843 0.081 Uiso 1 1 calc R . . C18 C 0.0849(3) 0.6738(12) 0.8745(12) 0.076(7) Uani 1 1 d . . . H18A H 0.0886 0.7177 0.8525 0.114 Uiso 1 1 calc R . . H18B H 0.0943 0.6553 0.9055 0.114 Uiso 1 1 calc R . . H18C H 0.0749 0.6844 0.9008 0.114 Uiso 1 1 calc R . . C19 C 0.0791(4) 0.5370(12) 0.8487(16) 0.113(12) Uani 1 1 d . . . H19A H 0.0711 0.5351 0.8849 0.170 Uiso 1 1 calc R . . H19B H 0.0906 0.5228 0.8676 0.170 Uiso 1 1 calc R . . H19C H 0.0752 0.5042 0.8116 0.170 Uiso 1 1 calc R . . C20 C 0.0117(3) 0.6792(14) 0.6666(13) 0.078(7) Uani 1 1 d . . . H20A H 0.0029 0.6438 0.6757 0.117 Uiso 1 1 calc R . . H20B H 0.0136 0.6792 0.6175 0.117 Uiso 1 1 calc R . . H20C H 0.0080 0.7269 0.6801 0.117 Uiso 1 1 calc R . . C21 C 0.1059(2) 0.8393(8) 0.0336(9) 0.044(4) Uani 1 1 d . . . C22 C 0.1155(2) 0.8838(7) 0.0850(9) 0.039(4) Uani 1 1 d . . . H22 H 0.1091 0.9113 0.1154 0.047 Uiso 1 1 calc R . . C23 C 0.1338(2) 0.8881(7) 0.0916(9) 0.041(4) Uani 1 1 d . . . H23 H 0.1393 0.9172 0.1265 0.049 Uiso 1 1 calc R . . C24 C 0.1439(2) 0.8490(9) 0.0467(8) 0.043(4) Uani 1 1 d . . . C25 C 0.1354(2) 0.8056(8) -0.0059(8) 0.039(4) Uani 1 1 d . . . H25 H 0.1421 0.7793 -0.0360 0.046 Uiso 1 1 calc R . . C26 C 0.1164(3) 0.8009(8) -0.0145(8) 0.043(4) Uani 1 1 d . . . H26 H 0.1110 0.7734 -0.0508 0.052 Uiso 1 1 calc R . . C27 C 0.0869(2) 0.8335(10) 0.0238(11) 0.054(5) Uani 1 1 d . . . H27 H 0.0839 0.7845 0.0057 0.065 Uiso 1 1 calc R . . C28 C 0.0773(3) 0.8456(15) 0.0894(14) 0.086(7) Uani 1 1 d . . . H28A H 0.0836 0.8216 0.1282 0.129 Uiso 1 1 calc R . . H28B H 0.0657 0.8258 0.0830 0.129 Uiso 1 1 calc R . . H28C H 0.0767 0.8971 0.0988 0.129 Uiso 1 1 calc R . . C29 C 0.0806(4) 0.8910(17) -0.0334(15) 0.106(10) Uani 1 1 d . . . H29A H 0.0686 0.8813 -0.0493 0.159 Uiso 1 1 calc R . . H29B H 0.0878 0.8876 -0.0723 0.159 Uiso 1 1 calc R . . H29C H 0.0815 0.9393 -0.0138 0.159 Uiso 1 1 calc R . . C30 C 0.1634(3) 0.8487(10) 0.0564(11) 0.058(5) Uani 1 1 d . . . H30A H 0.1681 0.8822 0.0239 0.086 Uiso 1 1 calc R . . H30B H 0.1677 0.8004 0.0483 0.086 Uiso 1 1 calc R . . H30C H 0.1670 0.8635 0.1034 0.086 Uiso 1 1 calc R . . C31 C 0.1496(2) 0.5000(7) 0.0710(7) 0.030(3) Uani 1 1 d . . . C32 C 0.1398(2) 0.4628(7) 0.1205(8) 0.041(4) Uani 1 1 d . . . H32 H 0.1459 0.4397 0.1583 0.049 Uiso 1 1 calc R . . C33 C 0.1214(2) 0.4596(7) 0.1142(9) 0.037(4) Uani 1 1 d . . . H33 H 0.1154 0.4366 0.1486 0.045 Uiso 1 1 calc R . . C34 C 0.1119(3) 0.4919(9) 0.0548(10) 0.051(5) Uani 1 1 d . . . C35 C 0.1216(2) 0.5280(8) 0.0063(8) 0.041(4) Uani 1 1 d . . . H35 H 0.1158 0.5509 -0.0321 0.050 Uiso 1 1 calc R . . C36 C 0.1397(2) 0.5303(7) 0.0142(8) 0.038(4) Uani 1 1 d . . . H36 H 0.1456 0.5534 -0.0204 0.045 Uiso 1 1 calc R . . C37 C 0.1694(2) 0.5073(7) 0.0778(9) 0.039(4) Uani 1 1 d . . . H37 H 0.1720 0.5598 0.0806 0.047 Uiso 1 1 calc R . . C38 C 0.1771(3) 0.4795(9) 0.0116(11) 0.061(5) Uani 1 1 d . . . H38A H 0.1752 0.4277 0.0075 0.091 Uiso 1 1 calc R . . H38B H 0.1895 0.4896 0.0140 0.091 Uiso 1 1 calc R . . H38C H 0.1715 0.5037 -0.0285 0.091 Uiso 1 1 calc R . . C39 C 0.1785(3) 0.4728(11) 0.1428(11) 0.063(5) Uani 1 1 d . . . H39A H 0.1764 0.5019 0.1830 0.094 Uiso 1 1 calc R . . H39B H 0.1909 0.4702 0.1376 0.094 Uiso 1 1 calc R . . H39C H 0.1740 0.4244 0.1488 0.094 Uiso 1 1 calc R . . C40 C 0.0925(3) 0.4938(12) 0.0496(14) 0.080(7) Uani 1 1 d . . . H40A H 0.0881 0.4692 0.0077 0.119 Uiso 1 1 calc R . . H40B H 0.0885 0.5437 0.0483 0.119 Uiso 1 1 calc R . . H40C H 0.0882 0.4697 0.0896 0.119 Uiso 1 1 calc R . . C41 C 0.25381(18) 0.9929(6) 0.6455(8) 0.028(3) Uani 1 1 d . . . C42 C 0.2454(2) 1.0120(7) 0.7074(8) 0.033(3) Uani 1 1 d . . . H42 H 0.2499 0.9951 0.7509 0.040 Uiso 1 1 calc R . . C43 C 0.2298(2) 1.0582(7) 0.7015(8) 0.032(3) Uani 1 1 d . . . H43 H 0.2245 1.0718 0.7417 0.038 Uiso 1 1 calc R . . C44 C 0.22282(19) 1.0822(7) 0.6364(8) 0.030(3) Uani 1 1 d . . . C45 C 0.23082(19) 1.0611(7) 0.5759(9) 0.034(3) Uani 1 1 d . . . H45 H 0.2261 1.0769 0.5323 0.041 Uiso 1 1 calc R . . C46 C 0.24587(18) 1.0163(7) 0.5801(7) 0.027(3) Uani 1 1 d . . . H46 H 0.2507 1.0017 0.5391 0.032 Uiso 1 1 calc R . . C47 C 0.27047(19) 0.9487(7) 0.6542(8) 0.031(3) Uani 1 1 d . . . H47 H 0.2684 0.9071 0.6849 0.037 Uiso 1 1 calc R . . C48 C 0.2763(2) 0.9186(8) 0.5853(9) 0.042(4) Uani 1 1 d . . . H48A H 0.2678 0.8840 0.5663 0.063 Uiso 1 1 calc R . . H48B H 0.2875 0.8949 0.5934 0.063 Uiso 1 1 calc R . . H48C H 0.2773 0.9581 0.5527 0.063 Uiso 1 1 calc R . . C49 C 0.2848(2) 0.9947(9) 0.6897(11) 0.050(5) Uani 1 1 d . . . H49A H 0.2864 1.0378 0.6623 0.075 Uiso 1 1 calc R . . H49B H 0.2955 0.9672 0.6942 0.075 Uiso 1 1 calc R . . H49C H 0.2815 1.0087 0.7353 0.075 Uiso 1 1 calc R . . C50 C 0.2065(2) 1.1296(7) 0.6300(10) 0.041(4) Uani 1 1 d . . . H50A H 0.1994 1.1198 0.6685 0.061 Uiso 1 1 calc R . . H50B H 0.1998 1.1190 0.5867 0.061 Uiso 1 1 calc R . . H50C H 0.2099 1.1803 0.6308 0.061 Uiso 1 1 calc R . . C51 C 0.23205(18) 0.7263(7) 0.7857(7) 0.026(3) Uani 1 1 d . . . C52 C 0.24752(17) 0.7591(7) 0.7564(8) 0.029(3) Uani 1 1 d . . . H52 H 0.2538 0.7957 0.7807 0.035 Uiso 1 1 calc R . . C53 C 0.25264(18) 0.7350(7) 0.6920(7) 0.028(3) Uani 1 1 d . . . H53 H 0.2624 0.7561 0.6739 0.034 Uiso 1 1 calc R . . C54 C 0.24326(19) 0.6787(6) 0.6526(7) 0.028(3) Uani 1 1 d . . . C55 C 0.22854(19) 0.6488(7) 0.6811(7) 0.028(3) Uani 1 1 d . . . H55 H 0.2224 0.6115 0.6572 0.033 Uiso 1 1 calc R . . C56 C 0.22281(19) 0.6736(7) 0.7450(7) 0.029(3) Uani 1 1 d . . . H56 H 0.2125 0.6543 0.7607 0.034 Uiso 1 1 calc R . . C57 C 0.2261(2) 0.7550(8) 0.8543(8) 0.041(4) Uani 1 1 d . . . H57 H 0.2286 0.8076 0.8560 0.049 Uiso 1 1 calc R . . C58 C 0.2075(3) 0.7449(10) 0.8651(9) 0.055(5) Uani 1 1 d . . . H58A H 0.2006 0.7764 0.8339 0.082 Uiso 1 1 calc R . . H58B H 0.2054 0.7569 0.9126 0.082 Uiso 1 1 calc R . . H58C H 0.2042 0.6949 0.8559 0.082 Uiso 1 1 calc R . . C59 C 0.2387(3) 0.7172(9) 0.9127(9) 0.053(5) Uani 1 1 d . . . H59A H 0.2440 0.6748 0.8935 0.079 Uiso 1 1 calc R . . H59B H 0.2320 0.7027 0.9510 0.079 Uiso 1 1 calc R . . H59C H 0.2477 0.7510 0.9291 0.079 Uiso 1 1 calc R . . C60 C 0.2491(2) 0.6568(8) 0.5824(8) 0.042(4) Uani 1 1 d . . . H60A H 0.2604 0.6334 0.5884 0.063 Uiso 1 1 calc R . . H60B H 0.2499 0.6995 0.5536 0.063 Uiso 1 1 calc R . . H60C H 0.2407 0.6234 0.5603 0.063 Uiso 1 1 calc R . . C61 C 0.08633(19) 0.9368(7) 0.6503(7) 0.031(3) Uani 1 1 d . . . H61 H 0.0870 0.9534 0.6963 0.037 Uiso 1 1 calc R . . C62 C 0.10170(19) 0.9337(7) 0.6161(7) 0.028(3) Uani 1 1 d . . . H62 H 0.1122 0.9493 0.6386 0.033 Uiso 1 1 calc R . . C63 C 0.1013(2) 0.9071(7) 0.5484(7) 0.028(3) Uani 1 1 d . . . C64 C 0.08467(19) 0.8886(7) 0.5167(7) 0.030(3) Uani 1 1 d . . . H64 H 0.0835 0.8718 0.4708 0.035 Uiso 1 1 calc R . . C65 C 0.0704(2) 0.8956(8) 0.5539(8) 0.037(3) Uani 1 1 d . . . H65 H 0.0595 0.8845 0.5316 0.045 Uiso 1 1 calc R . . C66 C 0.11717(19) 0.8975(7) 0.5108(7) 0.028(3) Uani 1 1 d . . . C67 C 0.12969(17) 0.8534(6) 0.4159(7) 0.024(3) Uani 1 1 d . . . C68 C 0.12883(19) 0.8213(6) 0.3452(7) 0.028(3) Uani 1 1 d . . . C69 C 0.14332(17) 0.8112(7) 0.3103(8) 0.030(3) Uani 1 1 d . . . H69 H 0.1543 0.8186 0.3333 0.036 Uiso 1 1 calc R . . C70 C 0.1421(2) 0.7903(7) 0.2419(8) 0.035(3) Uani 1 1 d . . . H70 H 0.1525 0.7832 0.2197 0.042 Uiso 1 1 calc R . . C71 C 0.1124(2) 0.8066(8) 0.3079(8) 0.036(3) Uani 1 1 d . . . H71 H 0.1020 0.8123 0.3295 0.043 Uiso 1 1 calc R . . C72 C 0.1122(2) 0.7843(7) 0.2407(8) 0.032(3) Uani 1 1 d . . . H72 H 0.1014 0.7716 0.2179 0.038 Uiso 1 1 calc R . . C73 C 0.14659(18) 0.9016(6) 0.5054(7) 0.025(3) Uani 1 1 d . . . C74 C 0.16431(17) 0.9214(6) 0.5365(7) 0.022(3) Uani 1 1 d . . . C75 C 0.17906(19) 0.9098(7) 0.4961(7) 0.030(3) Uani 1 1 d . . . H75 H 0.1775 0.8935 0.4501 0.036 Uiso 1 1 calc R . . C76 C 0.19502(19) 0.9226(7) 0.5248(8) 0.033(3) Uani 1 1 d . . . H76 H 0.2044 0.9123 0.4981 0.040 Uiso 1 1 calc R . . C77 C 0.16777(19) 0.9502(7) 0.6024(7) 0.029(3) Uani 1 1 d . . . H77 H 0.1586 0.9611 0.6304 0.035 Uiso 1 1 calc R . . C78 C 0.18511(19) 0.9629(6) 0.6267(7) 0.026(3) Uani 1 1 d . . . H78 H 0.1873 0.9818 0.6716 0.032 Uiso 1 1 calc R . . C79 C 0.0737(2) 0.7061(8) 0.5739(8) 0.037(3) Uani 1 1 d . . . H79 H 0.0625 0.7001 0.5525 0.045 Uiso 1 1 calc R . . C80 C 0.0880(2) 0.6989(8) 0.5339(8) 0.037(3) Uani 1 1 d . . . H80 H 0.0864 0.6877 0.4865 0.045 Uiso 1 1 calc R . . C81 C 0.10470(19) 0.7085(7) 0.5651(7) 0.028(3) Uani 1 1 d . . . C82 C 0.1066(2) 0.7298(8) 0.6361(7) 0.034(3) Uani 1 1 d . . . H82 H 0.1176 0.7407 0.6575 0.040 Uiso 1 1 calc R . . C83 C 0.09173(19) 0.7343(7) 0.6731(8) 0.032(3) Uani 1 1 d . . . H83 H 0.0930 0.7463 0.7204 0.038 Uiso 1 1 calc R . . C84 C 0.12045(17) 0.6978(6) 0.5264(7) 0.024(3) Uani 1 1 d . . . C85 C 0.13331(18) 0.6571(6) 0.4321(7) 0.024(3) Uani 1 1 d . . . C86 C 0.13236(18) 0.6266(6) 0.3591(7) 0.025(3) Uani 1 1 d . . . C87 C 0.11596(17) 0.6155(7) 0.3226(7) 0.028(3) Uani 1 1 d . . . H87 H 0.1056 0.6219 0.3445 0.033 Uiso 1 1 calc R . . C88 C 0.1157(2) 0.5953(7) 0.2552(8) 0.035(3) Uani 1 1 d . . . H88 H 0.1050 0.5850 0.2315 0.043 Uiso 1 1 calc R . . C89 C 0.1472(2) 0.6160(7) 0.3249(8) 0.034(3) Uani 1 1 d . . . H89 H 0.1582 0.6222 0.3484 0.041 Uiso 1 1 calc R . . C90 C 0.1459(2) 0.5966(8) 0.2567(8) 0.038(3) Uani 1 1 d . . . H90 H 0.1561 0.5882 0.2345 0.045 Uiso 1 1 calc R . . C91 C 0.14991(19) 0.7052(6) 0.5228(7) 0.027(3) Uani 1 1 d . . . C92 C 0.16734(18) 0.7261(7) 0.5579(7) 0.028(3) Uani 1 1 d . . . C93 C 0.18234(19) 0.7191(7) 0.5209(7) 0.028(3) Uani 1 1 d . . . H93 H 0.1817 0.7041 0.4744 0.034 Uiso 1 1 calc R . . C94 C 0.19827(18) 0.7356(7) 0.5566(8) 0.031(3) Uani 1 1 d . . . H94 H 0.2084 0.7332 0.5322 0.037 Uiso 1 1 calc R . . C95 C 0.16883(19) 0.7472(7) 0.6273(7) 0.030(3) Uani 1 1 d . . . H95 H 0.1589 0.7512 0.6525 0.037 Uiso 1 1 calc R . . C96 C 0.18509(19) 0.7621(7) 0.6585(7) 0.030(3) Uani 1 1 d . . . H96 H 0.1859 0.7777 0.7049 0.036 Uiso 1 1 calc R . . C97 C 0.1964(3) 1.0613(11) 0.4038(10) 0.066(6) Uani 1 1 d . . . C98 C 0.2134(4) 1.0162(10) 0.3823(11) 0.094(10) Uani 1 1 d . . . H98A H 0.2197 1.0448 0.3503 0.141 Uiso 1 1 calc R . . H98B H 0.2097 0.9711 0.3602 0.141 Uiso 1 1 calc R . . H98C H 0.2209 1.0059 0.4235 0.141 Uiso 1 1 calc R . . C99 C 0.1814(4) 1.074(2) 0.3613(16) 0.117(12) Uani 1 1 d . . . H99A H 0.1765 1.1202 0.3731 0.176 Uiso 1 1 calc R . . H99B H 0.1731 1.0358 0.3677 0.176 Uiso 1 1 calc R . . H99C H 0.1843 1.0747 0.3133 0.176 Uiso 1 1 calc R . . Cl1 Cl 0.06447(5) 0.83347(17) 0.75766(19) 0.0333(8) Uani 1 1 d . . . Cl2 Cl 0.03974(5) 0.8026(2) 0.6188(2) 0.0397(8) Uani 1 1 d . . . Cl3 Cl 0.10691(5) 0.66706(17) 0.09914(19) 0.0326(8) Uani 1 1 d . . . Cl4 Cl 0.14859(5) 0.67904(16) 0.10785(19) 0.0309(7) Uani 1 1 d . . . Cl5 Cl 0.23192(4) 0.84445(15) 0.58073(17) 0.0265(7) Uani 1 1 d . . . Cl6 Cl 0.21542(4) 0.88197(15) 0.72406(17) 0.0260(7) Uani 1 1 d . . . N1 N 0.07087(15) 0.9176(6) 0.6209(6) 0.029(2) Uani 1 1 d . . . N2 N 0.07560(16) 0.7218(6) 0.6435(7) 0.033(3) Uani 1 1 d . . . N3 N 0.12658(16) 0.7795(5) 0.2047(6) 0.029(3) Uani 1 1 d . . . N4 N 0.13048(16) 0.5891(6) 0.2198(6) 0.030(3) Uani 1 1 d . . . N5 N 0.19870(15) 0.9493(5) 0.5893(6) 0.025(2) Uani 1 1 d . . . N6 N 0.20007(16) 0.7551(5) 0.6250(6) 0.026(2) Uani 1 1 d . . . N7 N 0.13239(15) 0.9197(5) 0.5400(6) 0.025(2) Uani 1 1 d . . . N8 N 0.11515(15) 0.8642(6) 0.4486(6) 0.028(2) Uani 1 1 d . . . N9 N 0.14594(15) 0.8676(5) 0.4445(6) 0.025(2) Uani 1 1 d . . . N10 N 0.13588(15) 0.7187(5) 0.5580(6) 0.025(2) Uani 1 1 d . . . N11 N 0.11867(16) 0.6663(5) 0.4638(6) 0.028(2) Uani 1 1 d . . . N12 N 0.14956(15) 0.6738(6) 0.4604(6) 0.026(2) Uani 1 1 d . . . O1 O 0.1987(3) 1.0933(9) 0.4593(9) 0.091(6) Uani 1 1 d . . . Ru1 Ru 0.047992(15) 0.91680(6) 0.67833(6) 0.0300(3) Uani 1 1 d . . . Ru2 Ru 0.053677(15) 0.71944(6) 0.70496(6) 0.0312(3) Uani 1 1 d . . . Ru3 Ru 0.126044(15) 0.77336(5) 0.09485(6) 0.0267(3) Uani 1 1 d . . . Ru4 Ru 0.129517(15) 0.57272(5) 0.10960(6) 0.0275(3) Uani 1 1 d . . . Ru5 Ru 0.225307(14) 0.96238(5) 0.63320(6) 0.0226(2) Uani 1 1 d . . . Ru6 Ru 0.225171(14) 0.76667(5) 0.67799(5) 0.0205(2) Uani 1 1 d . . . S106 S 0.23211(7) 0.5716(2) 0.1023(2) 0.0478(5) Uani 1 1 d . . . S105 S 0.20054(7) 0.7926(2) 0.3405(2) 0.0478(5) Uani 1 1 d . . . S104 S 0.13633(7) 0.3672(2) 0.3214(2) 0.0478(5) Uani 1 1 d . . . S102 S 0.02875(7) 0.1760(2) 0.4440(2) 0.0478(5) Uani 1 1 d . . . F104 F 0.0249(2) 0.2233(8) 0.5674(9) 0.1027(14) Uani 1 1 d . . . F105 F 0.0129(2) 0.2898(9) 0.4893(9) 0.1027(14) Uani 1 1 d . . . F106 F 0.0004(2) 0.1906(9) 0.5152(9) 0.1027(14) Uani 1 1 d . . . F110 F 0.1626(2) 0.2745(9) 0.3264(9) 0.1027(14) Uani 1 1 d . . . F111 F 0.1672(2) 0.3605(9) 0.3905(9) 0.1027(14) Uani 1 1 d . . . F112 F 0.1688(2) 0.3659(9) 0.2824(9) 0.1027(14) Uani 1 1 d . . . F113 F 0.1864(2) 0.6671(9) 0.3017(9) 0.1027(14) Uani 1 1 d . . . F114 F 0.1856(2) 0.7470(9) 0.2209(9) 0.1027(14) Uani 1 1 d . . . F115 F 0.2092(2) 0.6909(9) 0.2538(9) 0.1027(14) Uani 1 1 d . . . F116 F 0.2008(2) 0.6248(9) 0.1114(9) 0.1027(14) Uani 1 1 d . . . F117 F 0.2189(2) 0.7017(9) 0.0755(9) 0.1027(14) Uani 1 1 d . . . F118 F 0.2086(2) 0.6201(9) 0.0065(9) 0.1027(14) Uani 1 1 d . . . O104 O 0.0442(2) 0.2209(8) 0.4426(9) 0.0807(13) Uani 1 1 d . . . O105 O 0.0313(2) 0.1084(8) 0.4784(8) 0.0807(13) Uani 1 1 d . . . O106 O 0.0172(2) 0.1732(8) 0.3844(9) 0.0807(13) Uani 1 1 d . . . O110 O 0.1368(2) 0.4432(9) 0.3281(9) 0.0807(13) Uani 1 1 d . . . O111 O 0.1322(2) 0.3478(8) 0.2535(9) 0.0807(13) Uani 1 1 d . . . O112 O 0.1302(2) 0.3340(8) 0.3814(9) 0.0807(13) Uani 1 1 d . . . O113 O 0.2120(2) 0.8411(8) 0.3056(8) 0.0807(13) Uani 1 1 d . . . O114 O 0.1843(2) 0.8246(8) 0.3529(9) 0.0807(13) Uani 1 1 d . . . O115 O 0.2095(2) 0.7552(8) 0.3972(9) 0.0807(13) Uani 1 1 d . . . O116 O 0.2456(2) 0.5918(8) 0.0566(9) 0.0807(13) Uani 1 1 d . . . O117 O 0.2361(2) 0.5927(8) 0.1739(9) 0.0807(13) Uani 1 1 d . . . O118 O 0.2244(2) 0.4994(8) 0.0912(8) 0.0807(13) Uani 1 1 d . . . C106 C 0.2147(3) 0.6319(11) 0.0733(11) 0.064(3) Uani 1 1 d . . . C105 C 0.1952(3) 0.7225(11) 0.2764(11) 0.064(3) Uani 1 1 d . . . C104 C 0.1584(3) 0.3428(11) 0.3326(11) 0.064(3) Uani 1 1 d . . . C102 C 0.0152(3) 0.2238(11) 0.5062(11) 0.064(3) Uani 1 1 d . . . S103 S 0.1299 0.0142 0.2879 0.048 Uani 1 1 d . . . O107 O 0.1455 0.0078 0.2514 0.081 Uani 1 1 d . . . O108 O 0.1318 -0.0056 0.3595 0.081 Uani 1 1 d . . . O109 O 0.1142 -0.0108 0.2499 0.081 Uani 1 1 d . . . C103 C 0.1266 0.1119 0.2916 0.064 Uani 1 1 d . . . F107 F 0.1128 0.1296 0.3265 0.103 Uani 1 1 d . . . F108 F 0.1403 0.1458 0.3226 0.103 Uani 1 1 d . . . F109 F 0.1239 0.1406 0.2277 0.103 Uani 1 1 d . . . S101 S 0.0689 0.6912 0.3385 0.048 Uani 1 1 d D . . O101 O 0.0762 0.7577 0.3138 0.081 Uani 1 1 d D . . O102 O 0.0707 0.6817 0.4120 0.081 Uani 1 1 d D . . O103 O 0.0721 0.6276 0.2978 0.081 Uani 1 1 d D . . C101 C 0.0455 0.7053 0.3216 0.064 Uani 1 1 d D . . F101 F 0.0362 0.6499 0.3437 0.103 Uani 1 1 d D . . F102 F 0.0401 0.7646 0.3528 0.103 Uani 1 1 d D . . F103 F 0.0412 0.7130 0.2533 0.103 Uani 1 1 d D . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.046(10) 0.034(7) 0.051(10) 0.009(7) 0.022(8) 0.014(7) C2 0.050(10) 0.039(8) 0.027(8) 0.006(6) 0.010(7) 0.015(7) C3 0.030(8) 0.047(8) 0.060(12) 0.017(8) 0.015(8) 0.015(7) C4 0.027(8) 0.067(10) 0.038(9) 0.014(8) -0.002(7) 0.020(7) C5 0.049(10) 0.037(8) 0.059(12) 0.015(8) -0.005(9) 0.012(7) C6 0.046(9) 0.028(7) 0.038(9) -0.001(6) 0.001(7) 0.007(6) C7 0.086(16) 0.057(10) 0.029(9) -0.007(8) -0.006(9) 0.016(10) C8 0.070(16) 0.107(18) 0.069(16) -0.001(13) 0.022(13) 0.001(13) C9 0.059(14) 0.073(13) 0.086(17) -0.032(12) -0.002(12) 0.008(10) C10 0.041(11) 0.081(13) 0.070(14) 0.023(11) -0.005(10) 0.006(9) C11 0.055(11) 0.032(7) 0.052(11) 0.003(7) -0.009(9) -0.012(7) C12 0.045(10) 0.051(9) 0.053(11) 0.004(8) 0.003(8) 0.005(7) C13 0.050(11) 0.040(8) 0.058(12) -0.007(8) 0.010(9) -0.014(7) C14 0.025(8) 0.044(8) 0.068(12) 0.013(8) 0.004(8) -0.012(6) C15 0.043(10) 0.050(9) 0.049(11) 0.003(8) 0.031(8) -0.004(7) C16 0.067(13) 0.049(9) 0.041(10) -0.001(8) 0.016(9) -0.010(8) C17 0.073(15) 0.057(11) 0.068(14) -0.001(10) -0.030(11) 0.021(10) C18 0.072(16) 0.088(15) 0.064(14) -0.013(11) -0.026(12) -0.012(12) C19 0.14(3) 0.064(13) 0.13(2) -0.023(14) -0.07(2) 0.056(15) C20 0.032(11) 0.113(18) 0.089(17) 0.028(14) -0.003(11) -0.015(10) C21 0.057(11) 0.036(7) 0.037(9) 0.002(6) -0.013(8) 0.006(7) C22 0.041(9) 0.021(6) 0.054(10) -0.007(6) -0.005(8) 0.002(6) C23 0.047(10) 0.027(7) 0.046(10) 0.004(6) -0.008(8) -0.009(6) C24 0.053(11) 0.048(8) 0.028(9) -0.001(7) 0.007(7) -0.014(7) C25 0.041(9) 0.038(7) 0.038(9) 0.000(6) 0.012(7) 0.010(6) C26 0.068(12) 0.036(7) 0.025(8) 0.006(6) -0.004(8) -0.005(7) C27 0.043(10) 0.049(9) 0.068(13) -0.001(9) -0.010(9) 0.012(8) C28 0.051(14) 0.12(2) 0.083(18) -0.001(15) -0.007(13) 0.020(13) C29 0.062(16) 0.15(2) 0.10(2) 0.058(19) -0.024(15) 0.023(16) C30 0.052(12) 0.048(9) 0.074(14) 0.003(9) 0.019(10) -0.021(8) C31 0.036(8) 0.028(6) 0.028(8) -0.010(6) 0.009(6) 0.006(6) C32 0.062(11) 0.028(7) 0.034(9) 0.000(6) 0.007(8) -0.004(7) C33 0.041(9) 0.020(6) 0.052(10) -0.010(6) 0.011(7) -0.009(6) C34 0.060(12) 0.039(8) 0.052(11) -0.029(8) 0.001(9) -0.025(8) C35 0.058(11) 0.035(7) 0.029(9) -0.013(6) -0.015(8) -0.001(7) C36 0.056(10) 0.033(7) 0.025(8) -0.014(6) 0.010(7) -0.004(7) C37 0.037(9) 0.025(6) 0.055(10) -0.004(6) 0.000(8) 0.006(6) C38 0.075(14) 0.042(9) 0.071(14) 0.013(9) 0.038(11) 0.004(9) C39 0.049(12) 0.067(11) 0.067(14) -0.006(10) -0.023(10) 0.012(9) C40 0.046(12) 0.082(14) 0.106(19) -0.032(13) -0.022(13) -0.011(10) C41 0.029(7) 0.019(6) 0.036(8) 0.000(5) -0.003(6) -0.008(5) C42 0.040(9) 0.028(6) 0.032(8) 0.000(6) 0.003(7) -0.012(6) C43 0.041(8) 0.025(6) 0.031(8) -0.007(5) 0.005(6) -0.003(6) C44 0.032(8) 0.022(6) 0.037(8) -0.001(5) -0.004(6) -0.007(5) C45 0.029(8) 0.024(6) 0.049(10) 0.018(6) -0.008(7) -0.003(5) C46 0.028(7) 0.028(6) 0.023(7) 0.006(5) 0.003(6) -0.007(5) C47 0.030(8) 0.019(6) 0.043(9) -0.001(5) -0.003(6) 0.004(5) C48 0.031(8) 0.044(8) 0.051(10) -0.003(7) 0.009(7) 0.007(6) C49 0.027(8) 0.041(8) 0.080(14) -0.009(8) -0.012(9) 0.004(6) C50 0.039(9) 0.022(6) 0.061(11) 0.004(6) 0.006(8) -0.002(6) C51 0.030(7) 0.031(6) 0.016(7) 0.008(5) 0.004(5) 0.008(5) C52 0.020(7) 0.025(6) 0.040(9) 0.004(6) -0.008(6) -0.004(5) C53 0.025(7) 0.027(6) 0.031(8) -0.008(5) -0.008(6) 0.009(5) C54 0.031(8) 0.020(6) 0.033(8) -0.004(5) -0.005(6) 0.005(5) C55 0.036(8) 0.022(6) 0.026(7) -0.008(5) 0.003(6) -0.001(5) C56 0.030(7) 0.026(6) 0.031(8) 0.005(5) 0.015(6) 0.002(5) C57 0.059(11) 0.033(7) 0.029(8) 0.010(6) -0.002(8) 0.013(7) C58 0.072(14) 0.061(10) 0.034(10) 0.014(8) 0.023(9) 0.022(9) C59 0.071(13) 0.053(10) 0.031(9) 0.005(7) -0.010(9) 0.001(9) C60 0.048(10) 0.045(8) 0.035(9) -0.016(7) 0.013(7) 0.010(7) C61 0.034(8) 0.040(7) 0.019(7) -0.004(6) -0.003(6) -0.001(6) C62 0.028(7) 0.029(6) 0.026(7) 0.000(5) 0.002(6) -0.007(5) C63 0.040(8) 0.024(6) 0.022(7) 0.012(5) 0.010(6) 0.006(5) C64 0.030(8) 0.042(7) 0.016(7) 0.002(5) -0.001(6) -0.010(6) C65 0.026(8) 0.058(9) 0.027(8) 0.002(7) -0.003(6) -0.003(6) C66 0.031(7) 0.023(6) 0.030(8) 0.006(5) 0.004(6) -0.002(5) C67 0.023(7) 0.023(6) 0.027(7) -0.001(5) 0.000(5) 0.001(5) C68 0.033(8) 0.023(6) 0.026(8) -0.007(5) -0.004(6) -0.004(5) C69 0.016(6) 0.035(7) 0.038(9) -0.007(6) -0.003(6) -0.003(5) C70 0.028(8) 0.036(7) 0.042(9) -0.011(6) 0.017(7) -0.001(6) C71 0.028(8) 0.045(8) 0.032(9) -0.009(6) -0.009(6) 0.002(6) C72 0.031(8) 0.026(6) 0.038(9) -0.005(6) 0.003(6) 0.001(5) C73 0.029(7) 0.020(5) 0.023(7) 0.005(5) -0.007(6) -0.003(5) C74 0.024(7) 0.025(6) 0.018(7) 0.002(5) 0.000(5) -0.006(5) C75 0.033(8) 0.039(7) 0.017(7) -0.002(5) 0.003(6) 0.001(6) C76 0.025(7) 0.036(7) 0.039(9) 0.006(6) 0.008(6) -0.006(6) C77 0.030(7) 0.033(7) 0.024(7) -0.005(5) 0.004(6) 0.009(5) C78 0.039(8) 0.015(5) 0.025(7) -0.003(5) -0.002(6) -0.001(5) C79 0.024(7) 0.047(8) 0.040(9) -0.007(7) -0.006(6) 0.001(6) C80 0.037(9) 0.052(8) 0.022(8) -0.010(6) -0.005(6) 0.007(7) C81 0.029(7) 0.026(6) 0.029(8) -0.008(5) 0.005(6) 0.006(5) C82 0.029(8) 0.049(8) 0.022(7) -0.008(6) 0.001(6) 0.009(6) C83 0.032(8) 0.032(7) 0.032(8) -0.014(6) 0.005(6) 0.001(6) C84 0.026(7) 0.020(5) 0.027(7) 0.006(5) 0.008(5) -0.001(5) C85 0.029(7) 0.017(5) 0.025(7) 0.006(5) -0.002(5) -0.001(5) C86 0.026(7) 0.024(6) 0.026(7) 0.000(5) -0.001(6) 0.001(5) C87 0.014(6) 0.034(6) 0.036(8) -0.014(6) 0.005(6) -0.004(5) C88 0.036(8) 0.031(7) 0.039(9) -0.013(6) 0.005(7) -0.004(6) C89 0.029(8) 0.032(7) 0.039(9) -0.010(6) -0.005(6) -0.006(6) C90 0.036(9) 0.050(8) 0.029(8) -0.007(7) 0.009(7) 0.006(7) C91 0.042(8) 0.014(5) 0.023(7) 0.001(5) -0.004(6) -0.009(5) C92 0.024(7) 0.030(6) 0.032(8) 0.000(6) 0.005(6) -0.010(5) C93 0.034(8) 0.027(6) 0.023(7) -0.001(5) 0.006(6) -0.007(5) C94 0.021(7) 0.040(7) 0.031(8) -0.001(6) 0.004(6) -0.005(5) C95 0.028(7) 0.041(7) 0.024(8) -0.002(6) 0.005(6) 0.003(6) C96 0.030(7) 0.036(7) 0.023(7) -0.003(6) 0.006(6) -0.004(6) C97 0.102(19) 0.065(12) 0.029(10) 0.011(9) -0.005(11) -0.024(11) C98 0.21(3) 0.045(10) 0.035(11) 0.009(8) 0.063(15) -0.013(14) C99 0.08(2) 0.18(3) 0.08(2) 0.02(2) -0.028(16) -0.05(2) Cl1 0.0350(19) 0.0325(16) 0.0317(19) -0.0024(13) -0.0017(15) 0.0017(13) Cl2 0.035(2) 0.0482(19) 0.036(2) -0.0038(16) 0.0008(16) -0.0006(15) Cl3 0.0305(18) 0.0284(15) 0.038(2) -0.0072(13) -0.0018(15) -0.0030(13) Cl4 0.0326(18) 0.0236(14) 0.037(2) -0.0063(13) 0.0042(15) -0.0018(12) Cl5 0.0352(18) 0.0224(13) 0.0229(17) -0.0007(12) 0.0081(13) -0.0047(12) Cl6 0.0342(17) 0.0211(13) 0.0231(17) 0.0006(11) 0.0056(13) 0.0017(12) N1 0.023(6) 0.036(6) 0.027(6) 0.002(5) -0.004(5) 0.002(5) N2 0.026(6) 0.036(6) 0.037(7) -0.008(5) 0.006(5) 0.001(5) N3 0.031(6) 0.022(5) 0.033(7) -0.011(5) 0.002(5) 0.002(4) N4 0.029(6) 0.033(6) 0.029(7) -0.008(5) 0.004(5) 0.005(5) N5 0.027(6) 0.023(5) 0.024(6) 0.007(4) -0.002(5) 0.000(4) N6 0.034(6) 0.024(5) 0.019(6) 0.008(4) 0.001(5) 0.002(4) N7 0.027(6) 0.027(5) 0.020(6) -0.003(4) -0.002(5) 0.003(4) N8 0.022(6) 0.030(5) 0.030(7) -0.006(5) 0.000(5) 0.001(4) N9 0.029(6) 0.021(5) 0.027(6) -0.002(4) 0.011(5) 0.001(4) N10 0.026(6) 0.022(5) 0.027(6) 0.000(4) 0.005(5) -0.002(4) N11 0.033(6) 0.019(5) 0.032(7) -0.001(4) 0.011(5) -0.001(4) N12 0.026(6) 0.030(5) 0.021(6) 0.001(4) -0.002(5) -0.005(4) O1 0.121(16) 0.087(11) 0.065(11) -0.007(9) 0.001(10) 0.042(10) Ru1 0.0252(6) 0.0380(6) 0.0273(6) 0.0030(5) 0.0040(5) 0.0021(4) Ru2 0.0253(6) 0.0357(6) 0.0333(7) -0.0067(5) 0.0065(5) -0.0006(4) Ru3 0.0296(6) 0.0240(5) 0.0261(6) -0.0061(4) 0.0004(5) -0.0023(4) Ru4 0.0323(6) 0.0231(5) 0.0271(6) -0.0063(4) 0.0025(5) -0.0038(4) Ru5 0.0260(5) 0.0200(5) 0.0217(6) 0.0017(4) 0.0008(4) -0.0026(4) Ru6 0.0231(5) 0.0196(4) 0.0189(5) -0.0006(4) 0.0024(4) -0.0025(4) S106 0.0600(15) 0.0465(11) 0.0366(12) 0.0025(9) 0.0024(10) 0.0046(10) S105 0.0600(15) 0.0465(11) 0.0366(12) 0.0025(9) 0.0024(10) 0.0046(10) S104 0.0600(15) 0.0465(11) 0.0366(12) 0.0025(9) 0.0024(10) 0.0046(10) S102 0.0600(15) 0.0465(11) 0.0366(12) 0.0025(9) 0.0024(10) 0.0046(10) F104 0.085(3) 0.115(3) 0.107(4) -0.022(3) -0.002(3) 0.004(2) F105 0.085(3) 0.115(3) 0.107(4) -0.022(3) -0.002(3) 0.004(2) F106 0.085(3) 0.115(3) 0.107(4) -0.022(3) -0.002(3) 0.004(2) F110 0.085(3) 0.115(3) 0.107(4) -0.022(3) -0.002(3) 0.004(2) F111 0.085(3) 0.115(3) 0.107(4) -0.022(3) -0.002(3) 0.004(2) F112 0.085(3) 0.115(3) 0.107(4) -0.022(3) -0.002(3) 0.004(2) F113 0.085(3) 0.115(3) 0.107(4) -0.022(3) -0.002(3) 0.004(2) F114 0.085(3) 0.115(3) 0.107(4) -0.022(3) -0.002(3) 0.004(2) F115 0.085(3) 0.115(3) 0.107(4) -0.022(3) -0.002(3) 0.004(2) F116 0.085(3) 0.115(3) 0.107(4) -0.022(3) -0.002(3) 0.004(2) F117 0.085(3) 0.115(3) 0.107(4) -0.022(3) -0.002(3) 0.004(2) F118 0.085(3) 0.115(3) 0.107(4) -0.022(3) -0.002(3) 0.004(2) O104 0.087(4) 0.082(3) 0.073(3) 0.001(2) 0.000(3) 0.004(2) O105 0.087(4) 0.082(3) 0.073(3) 0.001(2) 0.000(3) 0.004(2) O106 0.087(4) 0.082(3) 0.073(3) 0.001(2) 0.000(3) 0.004(2) O110 0.087(4) 0.082(3) 0.073(3) 0.001(2) 0.000(3) 0.004(2) O111 0.087(4) 0.082(3) 0.073(3) 0.001(2) 0.000(3) 0.004(2) O112 0.087(4) 0.082(3) 0.073(3) 0.001(2) 0.000(3) 0.004(2) O113 0.087(4) 0.082(3) 0.073(3) 0.001(2) 0.000(3) 0.004(2) O114 0.087(4) 0.082(3) 0.073(3) 0.001(2) 0.000(3) 0.004(2) O115 0.087(4) 0.082(3) 0.073(3) 0.001(2) 0.000(3) 0.004(2) O116 0.087(4) 0.082(3) 0.073(3) 0.001(2) 0.000(3) 0.004(2) O117 0.087(4) 0.082(3) 0.073(3) 0.001(2) 0.000(3) 0.004(2) O118 0.087(4) 0.082(3) 0.073(3) 0.001(2) 0.000(3) 0.004(2) C106 0.073(7) 0.063(6) 0.055(6) -0.007(5) -0.003(5) -0.028(5) C105 0.073(7) 0.063(6) 0.055(6) -0.007(5) -0.003(5) -0.028(5) C104 0.073(7) 0.063(6) 0.055(6) -0.007(5) -0.003(5) -0.028(5) C102 0.073(7) 0.063(6) 0.055(6) -0.007(5) -0.003(5) -0.028(5) S103 0.060 0.046 0.037 0.003 0.002 0.005 O107 0.087 0.082 0.073 0.001 0.000 0.004 O108 0.087 0.082 0.073 0.001 0.000 0.004 O109 0.087 0.082 0.073 0.001 0.000 0.004 C103 0.073 0.063 0.055 -0.007 -0.003 -0.028 F107 0.085 0.115 0.107 -0.022 -0.002 0.004 F108 0.085 0.115 0.107 -0.022 -0.002 0.004 F109 0.085 0.115 0.107 -0.022 -0.002 0.004 S101 0.060 0.046 0.037 0.003 0.002 0.005 O101 0.087 0.082 0.073 0.001 0.000 0.004 O102 0.087 0.082 0.073 0.001 0.000 0.004 O103 0.087 0.082 0.073 0.001 0.000 0.004 C101 0.073 0.063 0.055 -0.007 -0.003 -0.028 F101 0.085 0.115 0.107 -0.022 -0.002 0.004 F102 0.085 0.115 0.107 -0.022 -0.002 0.004 F103 0.085 0.115 0.107 -0.022 -0.002 0.004 _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 C1 C2 1.40(2) . ? C1 C6 1.42(2) . ? C1 C7 1.53(3) . ? C1 Ru1 2.204(16) . ? C2 C3 1.32(2) . ? C2 Ru1 2.175(16) . ? C2 H2 0.9300 . ? C3 C4 1.47(2) . ? C3 Ru1 2.176(16) . ? C3 H3 0.9300 . ? C4 C5 1.36(2) . ? C4 C10 1.41(3) . ? C4 Ru1 2.224(14) . ? C5 C6 1.44(2) . ? C5 Ru1 2.169(14) . ? C5 H5 0.9300 . ? C6 Ru1 2.201(14) . ? C6 H6 0.9300 . ? C7 C8 1.49(3) . ? C7 C9 1.53(3) . ? C7 H7 0.9800 . ? C8 H8A 0.9600 . ? C8 H8B 0.9600 . ? C8 H8C 0.9600 . ? C9 H9A 0.9600 . ? C9 H9B 0.9600 . ? C9 H9C 0.9600 . ? C10 H10A 0.9600 . ? C10 H10B 0.9600 . ? C10 H10C 0.9600 . ? C11 C16 1.35(3) . ? C11 C12 1.44(2) . ? C11 C17 1.53(3) . ? C11 Ru2 2.216(16) . ? C12 C13 1.41(3) . ? C12 Ru2 2.187(17) . ? C12 H12 0.9300 . ? C13 C14 1.44(2) . ? C13 Ru2 2.190(15) . ? C13 H13 0.9300 . ? C14 C15 1.44(3) . ? C14 C20 1.46(3) . ? C14 Ru2 2.226(15) . ? C15 C16 1.47(3) . ? C15 Ru2 2.194(15) . ? C15 H15 0.9300 . ? C16 Ru2 2.146(18) . ? C16 H16 0.9300 . ? C17 C18 1.51(3) . ? C17 C19 1.57(3) . ? C17 H17 0.9800 . ? C18 H18A 0.9600 . ? C18 H18B 0.9600 . ? C18 H18C 0.9600 . ? C19 H19A 0.9600 . ? C19 H19B 0.9600 . ? C19 H19C 0.9600 . ? C20 H20A 0.9600 . ? C20 H20B 0.9600 . ? C20 H20C 0.9600 . ? C21 C22 1.44(2) . ? C21 C26 1.44(2) . ? C21 C27 1.45(3) . ? C21 Ru3 2.220(15) . ? C22 C23 1.40(2) . ? C22 Ru3 2.177(13) . ? C22 H22 0.9300 . ? C23 C24 1.39(2) . ? C23 Ru3 2.181(14) . ? C23 H23 0.9300 . ? C24 C25 1.41(2) . ? C24 C30 1.48(3) . ? C24 Ru3 2.194(16) . ? C25 C26 1.45(2) . ? C25 Ru3 2.186(16) . ? C25 H25 0.9300 . ? C26 Ru3 2.226(15) . ? C26 H26 0.9300 . ? C27 C28 1.51(3) . ? C27 C29 1.57(3) . ? C27 H27 0.9800 . ? C28 H28A 0.9600 . ? C28 H28B 0.9600 . ? C28 H28C 0.9600 . ? C29 H29A 0.9600 . ? C29 H29B 0.9600 . ? C29 H29C 0.9600 . ? C30 H30A 0.9600 . ? C30 H30B 0.9600 . ? C30 H30C 0.9600 . ? C31 C32 1.42(2) . ? C31 C36 1.39(2) . ? C31 C37 1.51(2) . ? C31 Ru4 2.194(13) . ? C32 C33 1.40(2) . ? C32 Ru4 2.163(15) . ? C32 H32 0.9300 . ? C33 C34 1.43(2) . ? C33 Ru4 2.163(13) . ? C33 H33 0.9300 . ? C34 C35 1.40(3) . ? C34 C40 1.48(3) . ? C34 Ru4 2.211(14) . ? C35 C36 1.38(2) . ? C35 Ru4 2.185(14) . ? C35 H35 0.9300 . ? C36 Ru4 2.178(14) . ? C36 H36 0.9300 . ? C37 C38 1.52(2) . ? C37 C39 1.52(2) . ? C37 H37 0.9800 . ? C38 H38A 0.9600 . ? C38 H38B 0.9600 . ? C38 H38C 0.9600 . ? C39 H39A 0.9600 . ? C39 H39B 0.9600 . ? C39 H39C 0.9600 . ? C40 H40A 0.9600 . ? C40 H40B 0.9600 . ? C40 H40C 0.9600 . ? C41 C42 1.43(2) . ? C41 C46 1.417(19) . ? C41 C47 1.505(19) . ? C41 Ru5 2.241(14) . ? C42 C43 1.46(2) . ? C42 Ru5 2.209(14) . ? C42 H42 0.9300 . ? C43 C44 1.39(2) . ? C43 Ru5 2.199(13) . ? C43 H43 0.9300 . ? C44 C45 1.40(2) . ? C44 C50 1.52(2) . ? C44 Ru5 2.199(12) . ? C45 C46 1.41(2) . ? C45 Ru5 2.169(13) . ? C45 H45 0.9300 . ? C46 Ru5 2.167(13) . ? C46 H46 0.9300 . ? C47 C49 1.50(2) . ? C47 C48 1.53(2) . ? C47 H47 0.9800 . ? C48 H48A 0.9600 . ? C48 H48B 0.9600 . ? C48 H48C 0.9600 . ? C49 H49A 0.9600 . ? C49 H49B 0.9600 . ? C49 H49C 0.9600 . ? C50 H50A 0.9600 . ? C50 H50B 0.9600 . ? C50 H50C 0.9600 . ? C51 C56 1.398(19) . ? C51 C52 1.472(19) . ? C51 C57 1.51(2) . ? C51 Ru6 2.218(12) . ? C52 C53 1.39(2) . ? C52 Ru6 2.193(13) . ? C52 H52 0.9300 . ? C53 C54 1.436(18) . ? C53 Ru6 2.172(13) . ? C53 H53 0.9300 . ? C54 C55 1.40(2) . ? C54 C60 1.50(2) . ? C54 Ru6 2.196(13) . ? C55 C56 1.404(19) . ? C55 Ru6 2.170(12) . ? C55 H55 0.9300 . ? C56 Ru6 2.146(13) . ? C56 H56 0.9300 . ? C57 C58 1.47(3) . ? C57 C59 1.58(2) . ? C57 H57 0.9800 . ? C58 H58A 0.9600 . ? C58 H58B 0.9600 . ? C58 H58C 0.9600 . ? C59 H59A 0.9600 . ? C59 H59B 0.9600 . ? C59 H59C 0.9600 . ? C60 H60A 0.9600 . ? C60 H60B 0.9600 . ? C60 H60C 0.9600 . ? C61 N1 1.318(18) . ? C61 C62 1.38(2) . ? C61 H61 0.9300 . ? C62 C63 1.38(2) . ? C62 H62 0.9300 . ? C63 C64 1.41(2) . ? C63 C66 1.465(19) . ? C64 C65 1.35(2) . ? C64 H64 0.9300 . ? C65 N1 1.343(19) . ? C65 H65 0.9300 . ? C66 N8 1.338(18) . ? C66 N7 1.316(17) . ? C67 N9 1.344(17) . ? C67 N8 1.326(17) . ? C67 C68 1.473(19) . ? C68 C69 1.35(2) . ? C68 C71 1.422(19) . ? C69 C70 1.36(2) . ? C69 H69 0.9300 . ? C70 N3 1.353(19) . ? C70 H70 0.9300 . ? C71 C72 1.35(2) . ? C71 H71 0.9300 . ? C72 N3 1.340(18) . ? C72 H72 0.9300 . ? C73 N9 1.320(17) . ? C73 N7 1.351(18) . ? C73 C74 1.482(17) . ? C74 C77 1.377(18) . ? C74 C75 1.426(19) . ? C75 C76 1.32(2) . ? C75 H75 0.9300 . ? C76 N5 1.339(19) . ? C76 H76 0.9300 . ? C77 C78 1.389(19) . ? C77 H77 0.9300 . ? C78 N5 1.326(18) . ? C78 H78 0.9300 . ? C79 N2 1.36(2) . ? C79 C80 1.38(2) . ? C79 H79 0.9300 . ? C80 C81 1.38(2) . ? C80 H80 0.9300 . ? C81 C82 1.41(2) . ? C81 C84 1.470(18) . ? C82 C83 1.38(2) . ? C82 H82 0.9300 . ? C83 N2 1.337(18) . ? C83 H83 0.9300 . ? C84 N11 1.329(17) . ? C84 N10 1.340(17) . ? C85 N11 1.320(18) . ? C85 N12 1.351(17) . ? C85 C86 1.501(19) . ? C86 C89 1.36(2) . ? C86 C87 1.403(18) . ? C87 C88 1.34(2) . ? C87 H87 0.9300 . ? C88 N4 1.360(19) . ? C88 H88 0.9300 . ? C89 C90 1.35(2) . ? C89 H89 0.9300 . ? C90 N4 1.333(19) . ? C90 H90 0.9300 . ? C91 N12 1.324(17) . ? C91 N10 1.328(18) . ? C91 C92 1.495(18) . ? C92 C93 1.395(19) . ? C92 C95 1.38(2) . ? C93 C94 1.384(19) . ? C93 H93 0.9300 . ? C94 N6 1.354(18) . ? C94 H94 0.9300 . ? C95 C96 1.365(19) . ? C95 H95 0.9300 . ? C96 N6 1.356(18) . ? C96 H96 0.9300 . ? C97 O1 1.21(2) . ? C97 C99 1.37(3) . ? C97 C98 1.62(4) . ? C98 H98A 0.9600 . ? C98 H98B 0.9600 . ? C98 H98C 0.9600 . ? C99 H99A 0.9600 . ? C99 H99B 0.9600 . ? C99 H99C 0.9600 . ? Cl1 Ru1 2.435(4) . ? Cl1 Ru2 2.433(3) . ? Cl2 Ru2 2.431(4) . ? Cl2 Ru1 2.439(4) . ? Cl3 Ru3 2.435(3) . ? Cl3 Ru4 2.437(3) . ? Cl4 Ru4 2.429(3) . ? Cl4 Ru3 2.435(3) . ? Cl5 Ru6 2.427(3) . ? Cl5 Ru5 2.446(3) . ? Cl6 Ru6 2.422(3) . ? Cl6 Ru5 2.438(3) . ? N1 Ru1 2.129(12) . ? N2 Ru2 2.114(12) . ? N3 Ru3 2.104(12) . ? N4 Ru4 2.126(12) . ? N5 Ru5 2.154(11) . ? N6 Ru6 2.112(12) . ? S106 O116 1.445(18) . ? S106 O117 1.436(17) . ? S106 O118 1.456(17) . ? S106 C106 1.78(2) . ? S105 O115 1.417(16) . ? S105 O114 1.403(18) . ? S105 O113 1.445(18) . ? S105 C105 1.80(2) . ? S104 O111 1.362(17) . ? S104 O110 1.395(16) . ? S104 O112 1.409(17) . ? S104 C104 1.74(2) . ? S102 O106 1.390(17) . ? S102 O105 1.408(16) . ? S102 O104 1.437(18) . ? S102 C102 1.85(2) . ? F104 C102 1.34(2) . ? F105 C102 1.26(2) . ? F106 C102 1.30(3) . ? F110 C104 1.30(2) . ? F111 C104 1.29(2) . ? F112 C104 1.36(3) . ? F113 C105 1.33(2) . ? F114 C105 1.33(3) . ? F115 C105 1.31(3) . ? F116 C106 1.34(3) . ? F117 C106 1.31(2) . ? F118 C106 1.35(2) . ? S103 O108 1.4151 . ? S103 O109 1.4304 . ? S103 O107 1.4317 . ? S103 C103 1.8070 . ? C103 F108 1.3183 . ? C103 F107 1.3262 . ? C103 F109 1.3325 . ? S101 O102 1.4151 . ? S101 O103 1.4303 . ? S101 O101 1.4318 . ? S101 C101 1.8070 . ? C101 F102 1.3184 . ? C101 F101 1.3262 . ? C101 F103 1.3325 . ? 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 C2 C1 C6 118.4(16) . . ? C2 C1 C7 120.8(15) . . ? C6 C1 C7 120.7(16) . . ? C2 C1 Ru1 70.2(9) . . ? C6 C1 Ru1 71.1(9) . . ? C7 C1 Ru1 127.7(11) . . ? C3 C2 C1 122.2(15) . . ? C3 C2 Ru1 72.4(9) . . ? C1 C2 Ru1 72.5(9) . . ? C3 C2 H2 118.9 . . ? C1 C2 H2 118.9 . . ? Ru1 C2 H2 128.6 . . ? C2 C3 C4 122.4(17) . . ? C2 C3 Ru1 72.3(10) . . ? C4 C3 Ru1 72.2(9) . . ? C2 C3 H3 118.8 . . ? C4 C3 H3 118.8 . . ? Ru1 C3 H3 129.3 . . ? C5 C4 C10 123.4(17) . . ? C5 C4 C3 115.4(16) . . ? C10 C4 C3 120.9(17) . . ? C5 C4 Ru1 69.7(9) . . ? C10 C4 Ru1 127.0(13) . . ? C3 C4 Ru1 68.7(8) . . ? C4 C5 C6 123.1(17) . . ? C4 C5 Ru1 74.2(9) . . ? C6 C5 Ru1 72.1(8) . . ? C4 C5 H5 118.4 . . ? C6 C5 H5 118.4 . . ? Ru1 C5 H5 127.6 . . ? C1 C6 C5 118.4(15) . . ? C1 C6 Ru1 71.3(8) . . ? C5 C6 Ru1 69.6(8) . . ? C1 C6 H6 120.8 . . ? C5 C6 H6 120.8 . . ? Ru1 C6 H6 130.8 . . ? C8 C7 C9 111.0(18) . . ? C8 C7 C1 106.2(18) . . ? C9 C7 C1 115.5(17) . . ? C8 C7 H7 108.0 . . ? C9 C7 H7 108.0 . . ? C1 C7 H7 108.0 . . ? C7 C8 H8A 109.5 . . ? C7 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? C7 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? C7 C9 H9A 109.5 . . ? C7 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? C7 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? C4 C10 H10A 109.5 . . ? C4 C10 H10B 109.5 . . ? H10A C10 H10B 109.5 . . ? C4 C10 H10C 109.5 . . ? H10A C10 H10C 109.5 . . ? H10B C10 H10C 109.5 . . ? C16 C11 C12 118.1(17) . . ? C16 C11 C17 122.1(17) . . ? C12 C11 C17 119.7(17) . . ? C16 C11 Ru2 69.1(10) . . ? C12 C11 Ru2 69.9(9) . . ? C17 C11 Ru2 130.2(13) . . ? C13 C12 C11 121.8(17) . . ? C13 C12 Ru2 71.4(9) . . ? C11 C12 Ru2 72.0(9) . . ? C13 C12 H12 119.1 . . ? C11 C12 H12 119.1 . . ? Ru2 C12 H12 130.2 . . ? C12 C13 C14 120.4(17) . . ? C12 C13 Ru2 71.2(10) . . ? C14 C13 Ru2 72.3(9) . . ? C12 C13 H13 119.8 . . ? C14 C13 H13 119.8 . . ? Ru2 C13 H13 129.1 . . ? C15 C14 C20 120.9(18) . . ? C15 C14 C13 117.9(16) . . ? C20 C14 C13 120.8(19) . . ? C15 C14 Ru2 69.8(9) . . ? C20 C14 Ru2 126.6(13) . . ? C13 C14 Ru2 69.6(9) . . ? C16 C15 C14 118.7(15) . . ? C16 C15 Ru2 68.5(9) . . ? C14 C15 Ru2 72.3(9) . . ? C16 C15 H15 120.6 . . ? C14 C15 H15 120.6 . . ? Ru2 C15 H15 131.2 . . ? C11 C16 C15 122.9(17) . . ? C11 C16 Ru2 74.8(11) . . ? C15 C16 Ru2 72.0(10) . . ? C11 C16 H16 118.6 . . ? C15 C16 H16 118.6 . . ? Ru2 C16 H16 126.7 . . ? C18 C17 C19 113.6(19) . . ? C18 C17 C11 112.1(17) . . ? C19 C17 C11 107.0(18) . . ? C18 C17 H17 108.0 . . ? C19 C17 H17 108.0 . . ? C11 C17 H17 108.0 . . ? 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 . . ? C17 C19 H19A 109.5 . . ? C17 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? C17 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? C14 C20 H20A 109.5 . . ? C14 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? C14 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? C22 C21 C26 115.7(16) . . ? C22 C21 C27 125.7(16) . . ? C26 C21 C27 118.4(15) . . ? C22 C21 Ru3 69.3(8) . . ? C26 C21 Ru3 71.3(9) . . ? C27 C21 Ru3 132.5(12) . . ? C23 C22 C21 123.4(16) . . ? C23 C22 Ru3 71.4(8) . . ? C21 C22 Ru3 72.6(8) . . ? C23 C22 H22 118.3 . . ? C21 C22 H22 118.3 . . ? Ru3 C22 H22 130.7 . . ? C22 C23 C24 120.7(15) . . ? C22 C23 Ru3 71.1(8) . . ? C24 C23 Ru3 71.9(9) . . ? C22 C23 H23 119.6 . . ? C24 C23 H23 119.6 . . ? Ru3 C23 H23 129.9 . . ? C25 C24 C23 118.8(16) . . ? C25 C24 C30 119.9(16) . . ? C23 C24 C30 121.2(15) . . ? C25 C24 Ru3 71.0(9) . . ? C23 C24 Ru3 70.9(9) . . ? C30 C24 Ru3 126.4(12) . . ? C26 C25 C24 121.6(14) . . ? C26 C25 Ru3 72.3(9) . . ? C24 C25 Ru3 71.6(9) . . ? C26 C25 H25 119.2 . . ? C24 C25 H25 119.2 . . ? Ru3 C25 H25 129.4 . . ? C25 C26 C21 119.6(14) . . ? C25 C26 Ru3 69.3(9) . . ? C21 C26 Ru3 70.8(9) . . ? C25 C26 H26 120.2 . . ? C21 C26 H26 120.2 . . ? Ru3 C26 H26 132.7 . . ? C21 C27 C28 114.6(17) . . ? C21 C27 C29 107.1(17) . . ? C28 C27 C29 109.9(18) . . ? C21 C27 H27 108.3 . . ? C28 C27 H27 108.3 . . ? C29 C27 H27 108.3 . . ? C27 C28 H28A 109.5 . . ? C27 C28 H28B 109.5 . . ? H28A C28 H28B 109.5 . . ? C27 C28 H28C 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? C27 C29 H29A 109.5 . . ? C27 C29 H29B 109.5 . . ? H29A C29 H29B 109.5 . . ? C27 C29 H29C 109.5 . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? C24 C30 H30A 109.5 . . ? C24 C30 H30B 109.5 . . ? H30A C30 H30B 109.5 . . ? C24 C30 H30C 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? C32 C31 C36 115.5(15) . . ? C32 C31 C37 123.6(14) . . ? C36 C31 C37 120.9(14) . . ? C32 C31 Ru4 69.8(8) . . ? C36 C31 Ru4 70.8(8) . . ? C37 C31 Ru4 129.4(9) . . ? C31 C32 C33 122.2(15) . . ? C31 C32 Ru4 72.2(8) . . ? C33 C32 Ru4 71.0(8) . . ? C31 C32 H32 118.9 . . ? C33 C32 H32 118.9 . . ? Ru4 C32 H32 130.7 . . ? C34 C33 C32 119.8(15) . . ? C34 C33 Ru4 72.7(8) . . ? C32 C33 Ru4 71.1(8) . . ? C34 C33 H33 120.1 . . ? C32 C33 H33 120.1 . . ? Ru4 C33 H33 128.3 . . ? C35 C34 C33 117.5(16) . . ? C35 C34 C40 121.6(19) . . ? C33 C34 C40 120.6(18) . . ? C35 C34 Ru4 70.5(8) . . ? C33 C34 Ru4 69.1(8) . . ? C40 C34 Ru4 126.0(13) . . ? C34 C35 C36 121.2(16) . . ? C34 C35 Ru4 72.5(9) . . ? C36 C35 Ru4 71.4(8) . . ? C34 C35 H35 119.4 . . ? C36 C35 H35 119.4 . . ? Ru4 C35 H35 129.2 . . ? C35 C36 C31 123.8(15) . . ? C35 C36 Ru4 71.9(9) . . ? C31 C36 Ru4 72.1(8) . . ? C35 C36 H36 118.1 . . ? C31 C36 H36 118.1 . . ? Ru4 C36 H36 131.0 . . ? C38 C37 C31 110.1(14) . . ? C38 C37 C39 111.2(15) . . ? C31 C37 C39 115.4(15) . . ? C38 C37 H37 106.5 . . ? C31 C37 H37 106.5 . . ? C39 C37 H37 106.5 . . ? C37 C38 H38A 109.5 . . ? C37 C38 H38B 109.5 . . ? H38A C38 H38B 109.5 . . ? C37 C38 H38C 109.5 . . ? H38A C38 H38C 109.5 . . ? H38B C38 H38C 109.5 . . ? C37 C39 H39A 109.5 . . ? C37 C39 H39B 109.5 . . ? H39A C39 H39B 109.5 . . ? C37 C39 H39C 109.5 . . ? H39A C39 H39C 109.5 . . ? H39B C39 H39C 109.5 . . ? C34 C40 H40A 109.5 . . ? C34 C40 H40B 109.5 . . ? H40A C40 H40B 109.5 . . ? C34 C40 H40C 109.5 . . ? H40A C40 H40C 109.5 . . ? H40B C40 H40C 109.5 . . ? C42 C41 C46 118.0(13) . . ? C42 C41 C47 117.7(13) . . ? C46 C41 C47 124.3(13) . . ? C42 C41 Ru5 70.1(8) . . ? C46 C41 Ru5 68.4(8) . . ? C47 C41 Ru5 133.1(8) . . ? C41 C42 C43 119.3(13) . . ? C41 C42 Ru5 72.5(8) . . ? C43 C42 Ru5 70.3(8) . . ? C41 C42 H42 120.3 . . ? C43 C42 H42 120.3 . . ? Ru5 C42 H42 129.2 . . ? C44 C43 C42 120.7(14) . . ? C44 C43 Ru5 71.6(8) . . ? C42 C43 Ru5 71.1(7) . . ? C44 C43 H43 119.6 . . ? C42 C43 H43 119.6 . . ? Ru5 C43 H43 130.3 . . ? C43 C44 C45 119.5(13) . . ? C43 C44 C50 120.9(14) . . ? C45 C44 C50 119.6(13) . . ? C43 C44 Ru5 71.5(7) . . ? C45 C44 Ru5 70.1(7) . . ? C50 C44 Ru5 129.8(9) . . ? C46 C45 C44 120.9(13) . . ? C46 C45 Ru5 71.0(7) . . ? C44 C45 Ru5 72.4(8) . . ? C46 C45 H45 119.5 . . ? C44 C45 H45 119.5 . . ? Ru5 C45 H45 129.5 . . ? C45 C46 C41 121.4(14) . . ? C45 C46 Ru5 71.1(8) . . ? C41 C46 Ru5 74.1(8) . . ? C45 C46 H46 119.3 . . ? C41 C46 H46 119.3 . . ? Ru5 C46 H46 127.6 . . ? C41 C47 C49 109.2(11) . . ? C41 C47 C48 113.2(12) . . ? C49 C47 C48 110.3(14) . . ? C41 C47 H47 108.0 . . ? C49 C47 H47 108.0 . . ? C48 C47 H47 108.0 . . ? C47 C48 H48A 109.5 . . ? C47 C48 H48B 109.5 . . ? H48A C48 H48B 109.5 . . ? C47 C48 H48C 109.5 . . ? H48A C48 H48C 109.5 . . ? H48B C48 H48C 109.5 . . ? C47 C49 H49A 109.5 . . ? C47 C49 H49B 109.5 . . ? H49A C49 H49B 109.5 . . ? C47 C49 H49C 109.5 . . ? H49A C49 H49C 109.5 . . ? H49B C49 H49C 109.5 . . ? C44 C50 H50A 109.5 . . ? C44 C50 H50B 109.5 . . ? H50A C50 H50B 109.5 . . ? C44 C50 H50C 109.5 . . ? H50A C50 H50C 109.5 . . ? H50B C50 H50C 109.5 . . ? C56 C51 C52 117.0(12) . . ? C56 C51 C57 123.6(13) . . ? C52 C51 C57 119.2(13) . . ? C56 C51 Ru6 68.6(7) . . ? C52 C51 Ru6 69.6(7) . . ? C57 C51 Ru6 128.8(9) . . ? C53 C52 C51 119.6(12) . . ? C53 C52 Ru6 70.6(8) . . ? C51 C52 Ru6 71.4(7) . . ? C53 C52 H52 120.2 . . ? C51 C52 H52 120.2 . . ? Ru6 C52 H52 130.3 . . ? C52 C53 C54 122.1(14) . . ? C52 C53 Ru6 72.2(8) . . ? C54 C53 Ru6 71.7(8) . . ? C52 C53 H53 119.0 . . ? C54 C53 H53 119.0 . . ? Ru6 C53 H53 129.7 . . ? C55 C54 C53 117.4(13) . . ? C55 C54 C60 123.0(12) . . ? C53 C54 C60 119.6(13) . . ? C55 C54 Ru6 70.4(8) . . ? C53 C54 Ru6 69.9(7) . . ? C60 C54 Ru6 128.7(10) . . ? C54 C55 C56 121.6(12) . . ? C54 C55 Ru6 72.4(7) . . ? C56 C55 Ru6 70.1(7) . . ? C54 C55 H55 119.2 . . ? C56 C55 H55 119.2 . . ? Ru6 C55 H55 131.3 . . ? C51 C56 C55 122.2(13) . . ? C51 C56 Ru6 74.1(7) . . ? C55 C56 Ru6 71.9(7) . . ? C51 C56 H56 118.9 . . ? C55 C56 H56 118.9 . . ? Ru6 C56 H56 127.1 . . ? C58 C57 C51 115.6(14) . . ? C58 C57 C59 113.1(14) . . ? C51 C57 C59 105.0(13) . . ? C58 C57 H57 107.6 . . ? C51 C57 H57 107.6 . . ? C59 C57 H57 107.6 . . ? C57 C58 H58A 109.5 . . ? C57 C58 H58B 109.5 . . ? H58A C58 H58B 109.5 . . ? C57 C58 H58C 109.5 . . ? H58A C58 H58C 109.5 . . ? H58B C58 H58C 109.5 . . ? C57 C59 H59A 109.5 . . ? C57 C59 H59B 109.5 . . ? H59A C59 H59B 109.5 . . ? C57 C59 H59C 109.5 . . ? H59A C59 H59C 109.5 . . ? H59B C59 H59C 109.5 . . ? C54 C60 H60A 109.5 . . ? C54 C60 H60B 109.5 . . ? H60A C60 H60B 109.5 . . ? C54 C60 H60C 109.5 . . ? H60A C60 H60C 109.5 . . ? H60B C60 H60C 109.5 . . ? N1 C61 C62 123.4(13) . . ? N1 C61 H61 118.3 . . ? C62 C61 H61 118.3 . . ? C63 C62 C61 119.6(13) . . ? C63 C62 H62 120.2 . . ? C61 C62 H62 120.2 . . ? C62 C63 C64 116.7(13) . . ? C62 C63 C66 122.5(14) . . ? C64 C63 C66 120.8(13) . . ? C65 C64 C63 119.1(13) . . ? C65 C64 H64 120.5 . . ? C63 C64 H64 120.5 . . ? N1 C65 C64 124.4(14) . . ? N1 C65 H65 117.8 . . ? C64 C65 H65 117.8 . . ? N8 C66 N7 124.1(13) . . ? N8 C66 C63 116.5(12) . . ? N7 C66 C63 119.5(13) . . ? N9 C67 N8 124.0(12) . . ? N9 C67 C68 115.4(12) . . ? N8 C67 C68 120.6(12) . . ? C69 C68 C71 116.8(13) . . ? C69 C68 C67 121.9(12) . . ? C71 C68 C67 121.0(13) . . ? C70 C69 C68 121.2(13) . . ? C70 C69 H69 119.4 . . ? C68 C69 H69 119.4 . . ? C69 C70 N3 122.8(13) . . ? C69 C70 H70 118.6 . . ? N3 C70 H70 118.6 . . ? C72 C71 C68 119.0(15) . . ? C72 C71 H71 120.5 . . ? C68 C71 H71 120.5 . . ? N3 C72 C71 123.8(14) . . ? N3 C72 H72 118.1 . . ? C71 C72 H72 118.1 . . ? N9 C73 N7 124.7(12) . . ? N9 C73 C74 116.3(12) . . ? N7 C73 C74 118.9(11) . . ? C77 C74 C75 116.6(12) . . ? C77 C74 C73 124.8(12) . . ? C75 C74 C73 118.7(12) . . ? C76 C75 C74 119.3(13) . . ? C76 C75 H75 120.4 . . ? C74 C75 H75 120.4 . . ? C75 C76 N5 125.0(14) . . ? C75 C76 H76 117.5 . . ? N5 C76 H76 117.5 . . ? C74 C77 C78 119.0(13) . . ? C74 C77 H77 120.5 . . ? C78 C77 H77 120.5 . . ? N5 C78 C77 123.4(12) . . ? N5 C78 H78 118.3 . . ? C77 C78 H78 118.3 . . ? N2 C79 C80 122.1(14) . . ? N2 C79 H79 118.9 . . ? C80 C79 H79 118.9 . . ? C81 C80 C79 119.2(14) . . ? C81 C80 H80 120.4 . . ? C79 C80 H80 120.4 . . ? C80 C81 C82 118.7(14) . . ? C80 C81 C84 121.9(13) . . ? C82 C81 C84 119.4(13) . . ? C83 C82 C81 118.6(14) . . ? C83 C82 H82 120.7 . . ? C81 C82 H82 120.7 . . ? N2 C83 C82 122.5(14) . . ? N2 C83 H83 118.8 . . ? C82 C83 H83 118.8 . . ? N11 C84 N10 124.1(12) . . ? N11 C84 C81 118.6(12) . . ? N10 C84 C81 117.3(12) . . ? N11 C85 N12 124.7(12) . . ? N11 C85 C86 119.3(12) . . ? N12 C85 C86 116.0(12) . . ? C89 C86 C87 118.8(13) . . ? C89 C86 C85 121.0(12) . . ? C87 C86 C85 119.9(12) . . ? C88 C87 C86 117.8(13) . . ? C88 C87 H87 121.1 . . ? C86 C87 H87 121.1 . . ? C87 C88 N4 123.4(14) . . ? C87 C88 H88 118.3 . . ? N4 C88 H88 118.3 . . ? C90 C89 C86 119.7(14) . . ? C90 C89 H89 120.2 . . ? C86 C89 H89 120.2 . . ? N4 C90 C89 122.9(14) . . ? N4 C90 H90 118.6 . . ? C89 C90 H90 118.6 . . ? N12 C91 N10 125.0(13) . . ? N12 C91 C92 118.4(13) . . ? N10 C91 C92 116.6(12) . . ? C93 C92 C95 120.1(13) . . ? C93 C92 C91 118.9(13) . . ? C95 C92 C91 120.9(13) . . ? C94 C93 C92 116.9(13) . . ? C94 C93 H93 121.5 . . ? C92 C93 H93 121.5 . . ? N6 C94 C93 124.0(13) . . ? N6 C94 H94 118.0 . . ? C93 C94 H94 118.0 . . ? C96 C95 C92 119.1(14) . . ? C96 C95 H95 120.4 . . ? C92 C95 H95 120.4 . . ? C95 C96 N6 123.0(13) . . ? C95 C96 H96 118.5 . . ? N6 C96 H96 118.5 . . ? O1 C97 C99 120(3) . . ? O1 C97 C98 114(2) . . ? C99 C97 C98 126(2) . . ? C97 C98 H98A 109.5 . . ? C97 C98 H98B 109.5 . . ? H98A C98 H98B 109.5 . . ? C97 C98 H98C 109.5 . . ? H98A C98 H98C 109.5 . . ? H98B C98 H98C 109.5 . . ? C97 C99 H99A 109.5 . . ? C97 C99 H99B 109.5 . . ? H99A C99 H99B 109.5 . . ? C97 C99 H99C 109.5 . . ? H99A C99 H99C 109.5 . . ? H99B C99 H99C 109.5 . . ? Ru1 Cl1 Ru2 97.65(13) . . ? Ru2 Cl2 Ru1 97.63(14) . . ? Ru3 Cl3 Ru4 98.34(13) . . ? Ru4 Cl4 Ru3 98.54(13) . . ? Ru6 Cl5 Ru5 98.03(12) . . ? Ru6 Cl6 Ru5 98.38(12) . . ? C61 N1 C65 116.7(13) . . ? C61 N1 Ru1 121.6(10) . . ? C65 N1 Ru1 121.6(10) . . ? C83 N2 C79 118.6(13) . . ? C83 N2 Ru2 120.6(10) . . ? C79 N2 Ru2 120.7(10) . . ? C72 N3 C70 116.2(13) . . ? C72 N3 Ru3 124.0(10) . . ? C70 N3 Ru3 119.1(10) . . ? C90 N4 C88 117.0(13) . . ? C90 N4 Ru4 120.5(10) . . ? C88 N4 Ru4 122.5(10) . . ? C78 N5 C76 116.6(12) . . ? C78 N5 Ru5 121.3(9) . . ? C76 N5 Ru5 121.9(9) . . ? C94 N6 C96 116.9(12) . . ? C94 N6 Ru6 121.0(9) . . ? C96 N6 Ru6 122.0(9) . . ? C66 N7 C73 115.5(11) . . ? C66 N8 C67 116.2(12) . . ? C73 N9 C67 115.1(12) . . ? C84 N10 C91 115.6(11) . . ? C84 N11 C85 115.8(12) . . ? C91 N12 C85 114.7(12) . . ? N1 Ru1 C2 160.8(5) . . ? N1 Ru1 C3 154.9(5) . . ? C2 Ru1 C3 35.4(6) . . ? N1 Ru1 C5 93.8(6) . . ? C2 Ru1 C5 79.2(7) . . ? C3 Ru1 C5 67.0(7) . . ? N1 Ru1 C1 123.6(5) . . ? C2 Ru1 C1 37.3(6) . . ? C3 Ru1 C1 65.9(7) . . ? C5 Ru1 C1 68.2(6) . . ? N1 Ru1 C6 96.2(5) . . ? C2 Ru1 C6 67.2(6) . . ? C3 Ru1 C6 78.9(6) . . ? C5 Ru1 C6 38.3(6) . . ? C1 Ru1 C6 37.6(6) . . ? N1 Ru1 C4 116.2(5) . . ? C2 Ru1 C4 67.7(6) . . ? C3 Ru1 C4 39.1(6) . . ? C5 Ru1 C4 36.1(7) . . ? C1 Ru1 C4 80.4(6) . . ? C6 Ru1 C4 67.6(6) . . ? N1 Ru1 Cl1 85.4(3) . . ? C2 Ru1 Cl1 93.7(4) . . ? C3 Ru1 Cl1 118.8(4) . . ? C5 Ru1 Cl1 155.9(5) . . ? C1 Ru1 Cl1 92.1(4) . . ? C6 Ru1 Cl1 117.7(4) . . ? C4 Ru1 Cl1 157.7(5) . . ? N1 Ru1 Cl2 87.6(3) . . ? C2 Ru1 Cl2 111.3(5) . . ? C3 Ru1 Cl2 89.4(5) . . ? C5 Ru1 Cl2 122.2(5) . . ? C1 Ru1 Cl2 147.9(4) . . ? C6 Ru1 Cl2 160.2(4) . . ? C4 Ru1 Cl2 93.3(5) . . ? Cl1 Ru1 Cl2 81.96(12) . . ? N2 Ru2 C16 132.6(7) . . ? N2 Ru2 C15 167.9(5) . . ? C16 Ru2 C15 39.5(7) . . ? N2 Ru2 C12 87.8(6) . . ? C16 Ru2 C12 67.0(7) . . ? C15 Ru2 C12 80.4(7) . . ? N2 Ru2 C13 103.4(6) . . ? C16 Ru2 C13 81.0(7) . . ? C15 Ru2 C13 68.4(7) . . ? C12 Ru2 C13 37.4(7) . . ? N2 Ru2 C14 138.2(6) . . ? C16 Ru2 C14 69.6(7) . . ? C15 Ru2 C14 37.9(7) . . ? C12 Ru2 C14 68.1(6) . . ? C13 Ru2 C14 38.1(7) . . ? N2 Ru2 C11 100.8(6) . . ? C16 Ru2 C11 36.1(7) . . ? C15 Ru2 C11 68.3(7) . . ? C12 Ru2 C11 38.1(6) . . ? C13 Ru2 C11 68.6(6) . . ? C14 Ru2 C11 81.3(6) . . ? N2 Ru2 Cl2 86.2(4) . . ? C16 Ru2 Cl2 139.8(5) . . ? C15 Ru2 Cl2 103.9(5) . . ? C12 Ru2 Cl2 136.0(5) . . ? C13 Ru2 Cl2 102.6(5) . . ? C14 Ru2 Cl2 88.5(4) . . ? C11 Ru2 Cl2 169.7(5) . . ? N2 Ru2 Cl1 87.5(3) . . ? C16 Ru2 Cl1 88.6(5) . . ? C15 Ru2 Cl1 100.2(5) . . ? C12 Ru2 Cl1 141.0(5) . . ? C13 Ru2 Cl1 168.4(5) . . ? C14 Ru2 Cl1 132.7(5) . . ? C11 Ru2 Cl1 105.5(4) . . ? Cl2 Ru2 Cl1 82.18(12) . . ? N3 Ru3 C22 91.0(5) . . ? N3 Ru3 C23 89.5(5) . . ? C22 Ru3 C23 37.5(6) . . ? N3 Ru3 C25 152.2(5) . . ? C22 Ru3 C25 79.4(6) . . ? C23 Ru3 C25 67.0(6) . . ? N3 Ru3 C24 114.8(5) . . ? C22 Ru3 C24 67.5(6) . . ? C23 Ru3 C24 37.2(6) . . ? C25 Ru3 C24 37.4(6) . . ? N3 Ru3 C26 155.4(6) . . ? C22 Ru3 C26 67.2(6) . . ? C23 Ru3 C26 80.1(6) . . ? C25 Ru3 C26 38.3(6) . . ? C24 Ru3 C26 68.6(6) . . ? N3 Ru3 C21 117.5(6) . . ? C22 Ru3 C21 38.1(6) . . ? C23 Ru3 C21 69.1(6) . . ? C25 Ru3 C21 69.2(6) . . ? C24 Ru3 C21 82.2(7) . . ? C26 Ru3 C21 37.9(6) . . ? N3 Ru3 Cl3 88.7(3) . . ? C22 Ru3 Cl3 121.6(4) . . ? C23 Ru3 Cl3 158.9(5) . . ? C25 Ru3 Cl3 118.6(4) . . ? C24 Ru3 Cl3 155.5(4) . . ? C26 Ru3 Cl3 93.1(4) . . ? C21 Ru3 Cl3 93.3(4) . . ? N3 Ru3 Cl4 88.4(3) . . ? C22 Ru3 Cl4 156.9(4) . . ? C23 Ru3 Cl4 119.4(5) . . ? C25 Ru3 Cl4 90.5(4) . . ? C24 Ru3 Cl4 91.9(5) . . ? C26 Ru3 Cl4 116.1(5) . . ? C21 Ru3 Cl4 153.5(5) . . ? Cl3 Ru3 Cl4 81.50(11) . . ? N4 Ru4 C33 94.8(5) . . ? N4 Ru4 C32 92.8(5) . . ? C33 Ru4 C32 37.9(6) . . ? N4 Ru4 C34 122.8(6) . . ? C33 Ru4 C34 38.2(7) . . ? C32 Ru4 C34 68.3(7) . . ? N4 Ru4 C36 153.3(5) . . ? C33 Ru4 C36 79.3(6) . . ? C32 Ru4 C36 66.5(6) . . ? C34 Ru4 C36 66.7(6) . . ? N4 Ru4 C35 159.8(6) . . ? C33 Ru4 C35 67.6(6) . . ? C32 Ru4 C35 79.3(6) . . ? C34 Ru4 C35 37.0(7) . . ? C36 Ru4 C35 36.7(6) . . ? N4 Ru4 C31 116.4(5) . . ? C33 Ru4 C31 69.1(6) . . ? C32 Ru4 C31 38.0(6) . . ? C34 Ru4 C31 81.4(6) . . ? C36 Ru4 C31 37.2(6) . . ? C35 Ru4 C31 67.8(6) . . ? N4 Ru4 Cl4 85.6(3) . . ? C33 Ru4 Cl4 159.9(4) . . ? C32 Ru4 Cl4 122.0(5) . . ? C34 Ru4 Cl4 150.7(5) . . ? C36 Ru4 Cl4 91.3(4) . . ? C35 Ru4 Cl4 114.4(5) . . ? C31 Ru4 Cl4 92.7(4) . . ? N4 Ru4 Cl3 87.4(3) . . ? C33 Ru4 Cl3 118.5(4) . . ? C32 Ru4 Cl3 156.3(5) . . ? C34 Ru4 Cl3 91.8(5) . . ? C36 Ru4 Cl3 118.4(4) . . ? C35 Ru4 Cl3 92.5(4) . . ? C31 Ru4 Cl3 155.2(4) . . ? Cl4 Ru4 Cl3 81.59(11) . . ? N5 Ru5 C46 124.1(5) . . ? N5 Ru5 C45 96.1(5) . . ? C46 Ru5 C45 37.9(5) . . ? N5 Ru5 C42 152.6(5) . . ? C46 Ru5 C42 67.8(5) . . ? C45 Ru5 C42 80.4(5) . . ? N5 Ru5 C43 115.1(5) . . ? C46 Ru5 C43 80.2(5) . . ? C45 Ru5 C43 67.1(6) . . ? C42 Ru5 C43 38.6(5) . . ? N5 Ru5 C44 92.3(4) . . ? C46 Ru5 C44 68.1(5) . . ? C45 Ru5 C44 37.5(6) . . ? C42 Ru5 C44 68.3(5) . . ? C43 Ru5 C44 36.9(5) . . ? N5 Ru5 C41 161.6(5) . . ? C46 Ru5 C41 37.5(5) . . ? C45 Ru5 C41 67.9(5) . . ? C42 Ru5 C41 37.5(5) . . ? C43 Ru5 C41 68.3(5) . . ? C44 Ru5 C41 80.5(5) . . ? N5 Ru5 Cl6 83.1(3) . . ? C46 Ru5 Cl6 151.7(4) . . ? C45 Ru5 Cl6 160.7(4) . . ? C42 Ru5 Cl6 91.5(4) . . ? C43 Ru5 Cl6 95.7(4) . . ? C44 Ru5 Cl6 123.2(4) . . ? C41 Ru5 Cl6 115.0(4) . . ? N5 Ru5 Cl5 87.6(3) . . ? C46 Ru5 Cl5 91.7(4) . . ? C45 Ru5 Cl5 118.2(4) . . ? C42 Ru5 Cl5 118.1(4) . . ? C43 Ru5 Cl5 156.7(4) . . ? C44 Ru5 Cl5 155.5(4) . . ? C41 Ru5 Cl5 92.0(3) . . ? Cl6 Ru5 Cl5 81.11(10) . . ? N6 Ru6 C56 95.5(5) . . ? N6 Ru6 C55 90.9(5) . . ? C56 Ru6 C55 38.0(5) . . ? N6 Ru6 C53 150.0(4) . . ? C56 Ru6 C53 80.6(5) . . ? C55 Ru6 C53 67.7(5) . . ? N6 Ru6 C52 162.9(5) . . ? C56 Ru6 C52 68.6(5) . . ? C55 Ru6 C52 80.4(5) . . ? C53 Ru6 C52 37.1(5) . . ? N6 Ru6 C54 112.5(5) . . ? C56 Ru6 C54 68.5(5) . . ? C55 Ru6 C54 37.3(5) . . ? C53 Ru6 C54 38.4(5) . . ? C52 Ru6 C54 68.6(5) . . ? N6 Ru6 C51 124.0(5) . . ? C56 Ru6 C51 37.3(5) . . ? C55 Ru6 C51 67.9(5) . . ? C53 Ru6 C51 68.6(5) . . ? C52 Ru6 C51 39.0(5) . . ? C54 Ru6 C51 81.5(5) . . ? N6 Ru6 Cl6 88.3(3) . . ? C56 Ru6 Cl6 115.5(4) . . ? C55 Ru6 Cl6 153.2(4) . . ? C53 Ru6 Cl6 120.4(3) . . ? C52 Ru6 Cl6 92.9(4) . . ? C54 Ru6 Cl6 158.7(4) . . ? C51 Ru6 Cl6 90.5(3) . . ? N6 Ru6 Cl5 85.7(3) . . ? C56 Ru6 Cl5 162.6(4) . . ? C55 Ru6 Cl5 124.8(4) . . ? C53 Ru6 Cl5 89.7(4) . . ? C52 Ru6 Cl5 111.4(4) . . ? C54 Ru6 Cl5 95.0(4) . . ? C51 Ru6 Cl5 149.2(4) . . ? Cl6 Ru6 Cl5 81.81(11) . . ? O116 S106 O117 113.4(10) . . ? O116 S106 O118 116.2(10) . . ? O117 S106 O118 116.1(10) . . ? O116 S106 C106 101.6(10) . . ? O117 S106 C106 103.6(10) . . ? O118 S106 C106 103.3(9) . . ? O115 S105 O114 117.1(10) . . ? O115 S105 O113 112.0(10) . . ? O114 S105 O113 113.2(10) . . ? O115 S105 C105 104.6(10) . . ? O114 S105 C105 104.7(11) . . ? O113 S105 C105 103.6(10) . . ? O111 S104 O110 110.5(10) . . ? O111 S104 O112 126.8(10) . . ? O110 S104 O112 111.2(10) . . ? O111 S104 C104 101.8(11) . . ? O110 S104 C104 103.0(10) . . ? O112 S104 C104 99.4(10) . . ? O106 S102 O105 114.1(10) . . ? O106 S102 O104 118.5(10) . . ? O105 S102 O104 115.2(10) . . ? O106 S102 C102 101.3(10) . . ? O105 S102 C102 100.1(10) . . ? O104 S102 C102 103.7(9) . . ? F116 C106 F117 105.9(19) . . ? F116 C106 F118 105.5(18) . . ? F117 C106 F118 104.7(18) . . ? F116 C106 S106 112.0(15) . . ? F117 C106 S106 114.6(15) . . ? F118 C106 S106 113.3(16) . . ? F115 C105 F114 107.5(19) . . ? F115 C105 F113 103.3(18) . . ? F114 C105 F113 106.5(18) . . ? F115 C105 S105 112.9(16) . . ? F114 C105 S105 113.0(15) . . ? F113 C105 S105 113.0(16) . . ? F110 C104 F111 101.8(19) . . ? F110 C104 F112 94.3(19) . . ? F111 C104 F112 103.5(18) . . ? F110 C104 S104 118.6(14) . . ? F111 C104 S104 118.6(18) . . ? F112 C104 S104 116.3(16) . . ? F105 C102 F106 112(2) . . ? F105 C102 F104 106.7(17) . . ? F106 C102 F104 107.9(19) . . ? F105 C102 S102 111.2(16) . . ? F106 C102 S102 113.2(14) . . ? F104 C102 S102 105.3(17) . . ? O108 S103 O109 115.7 . . ? O108 S103 O107 114.9 . . ? O109 S103 O107 115.2 . . ? O108 S103 C103 102.7 . . ? O109 S103 C103 102.8 . . ? O107 S103 C103 102.9 . . ? F108 C103 F107 106.9 . . ? F108 C103 F109 107.0 . . ? F107 C103 F109 107.0 . . ? F108 C103 S103 111.9 . . ? F107 C103 S103 112.3 . . ? F109 C103 S103 111.4 . . ? O102 S101 O103 115.7 . . ? O102 S101 O101 114.9 . . ? O103 S101 O101 115.2 . . ? O102 S101 C101 102.7 . . ? O103 S101 C101 102.8 . . ? O101 S101 C101 102.9 . . ? F102 C101 F101 106.9 . . ? F102 C101 F103 107.0 . . ? F101 C101 F103 107.0 . . ? F102 C101 S101 111.9 . . ? F101 C101 S101 112.3 . . ? F103 C101 S101 111.4 . . ? 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 C6 C1 C2 C3 -1(2) . . . . ? C7 C1 C2 C3 -177.8(15) . . . . ? Ru1 C1 C2 C3 -55.0(14) . . . . ? C6 C1 C2 Ru1 54.1(12) . . . . ? C7 C1 C2 Ru1 -122.8(14) . . . . ? C1 C2 C3 C4 1(2) . . . . ? Ru1 C2 C3 C4 -54.3(14) . . . . ? C1 C2 C3 Ru1 55.1(14) . . . . ? C2 C3 C4 C5 1(2) . . . . ? Ru1 C3 C4 C5 -53.3(13) . . . . ? C2 C3 C4 C10 175.6(17) . . . . ? Ru1 C3 C4 C10 121.3(16) . . . . ? C2 C3 C4 Ru1 54.3(14) . . . . ? C10 C4 C5 C6 -177.1(16) . . . . ? C3 C4 C5 C6 -3(2) . . . . ? Ru1 C4 C5 C6 -55.4(14) . . . . ? C10 C4 C5 Ru1 -121.7(17) . . . . ? C3 C4 C5 Ru1 52.8(12) . . . . ? C2 C1 C6 C5 -1(2) . . . . ? C7 C1 C6 C5 176.3(14) . . . . ? Ru1 C1 C6 C5 53.0(12) . . . . ? C2 C1 C6 Ru1 -53.7(12) . . . . ? C7 C1 C6 Ru1 123.2(14) . . . . ? C4 C5 C6 C1 3(2) . . . . ? Ru1 C5 C6 C1 -53.8(12) . . . . ? C4 C5 C6 Ru1 56.4(14) . . . . ? C2 C1 C7 C8 -78(2) . . . . ? C6 C1 C7 C8 105(2) . . . . ? Ru1 C1 C7 C8 -165.8(14) . . . . ? C2 C1 C7 C9 158.6(15) . . . . ? C6 C1 C7 C9 -18(2) . . . . ? Ru1 C1 C7 C9 71(2) . . . . ? C16 C11 C12 C13 -2(3) . . . . ? C17 C11 C12 C13 -179.0(17) . . . . ? Ru2 C11 C12 C13 -53.4(15) . . . . ? C16 C11 C12 Ru2 51.3(14) . . . . ? C17 C11 C12 Ru2 -125.6(16) . . . . ? C11 C12 C13 C14 -1(3) . . . . ? Ru2 C12 C13 C14 -55.0(14) . . . . ? C11 C12 C13 Ru2 53.7(15) . . . . ? C12 C13 C14 C15 2(2) . . . . ? Ru2 C13 C14 C15 -52.2(13) . . . . ? C12 C13 C14 C20 175.7(17) . . . . ? Ru2 C13 C14 C20 121.2(16) . . . . ? C12 C13 C14 Ru2 54.5(14) . . . . ? C20 C14 C15 C16 -173.5(16) . . . . ? C13 C14 C15 C16 0(2) . . . . ? Ru2 C14 C15 C16 -52.1(13) . . . . ? C20 C14 C15 Ru2 -121.3(16) . . . . ? C13 C14 C15 Ru2 52.1(13) . . . . ? C12 C11 C16 C15 5(3) . . . . ? C17 C11 C16 C15 -178.6(17) . . . . ? Ru2 C11 C16 C15 56.2(15) . . . . ? C12 C11 C16 Ru2 -51.6(14) . . . . ? C17 C11 C16 Ru2 125.2(17) . . . . ? C14 C15 C16 C11 -4(2) . . . . ? Ru2 C15 C16 C11 -57.5(16) . . . . ? C14 C15 C16 Ru2 53.9(13) . . . . ? C16 C11 C17 C18 -17(3) . . . . ? C12 C11 C17 C18 159.5(18) . . . . ? Ru2 C11 C17 C18 72(3) . . . . ? C16 C11 C17 C19 108(2) . . . . ? C12 C11 C17 C19 -75(2) . . . . ? Ru2 C11 C17 C19 -163.3(17) . . . . ? C26 C21 C22 C23 -3(2) . . . . ? C27 C21 C22 C23 -179.2(16) . . . . ? Ru3 C21 C22 C23 52.6(13) . . . . ? C26 C21 C22 Ru3 -55.8(11) . . . . ? C27 C21 C22 Ru3 128.2(17) . . . . ? C21 C22 C23 C24 1(2) . . . . ? Ru3 C22 C23 C24 54.2(13) . . . . ? C21 C22 C23 Ru3 -53.1(13) . . . . ? C22 C23 C24 C25 0(2) . . . . ? Ru3 C23 C24 C25 54.3(13) . . . . ? C22 C23 C24 C30 -175.4(15) . . . . ? Ru3 C23 C24 C30 -121.6(15) . . . . ? C22 C23 C24 Ru3 -53.8(13) . . . . ? C23 C24 C25 C26 0(2) . . . . ? C30 C24 C25 C26 176.2(14) . . . . ? Ru3 C24 C25 C26 54.5(13) . . . . ? C23 C24 C25 Ru3 -54.3(13) . . . . ? C30 C24 C25 Ru3 121.7(15) . . . . ? C24 C25 C26 C21 -2(2) . . . . ? Ru3 C25 C26 C21 51.7(12) . . . . ? C24 C25 C26 Ru3 -54.2(13) . . . . ? C22 C21 C26 C25 4(2) . . . . ? C27 C21 C26 C25 -180.0(14) . . . . ? Ru3 C21 C26 C25 -51.1(12) . . . . ? C22 C21 C26 Ru3 54.8(11) . . . . ? C27 C21 C26 Ru3 -128.9(14) . . . . ? C22 C21 C27 C28 -29(2) . . . . ? C26 C21 C27 C28 154.9(17) . . . . ? Ru3 C21 C27 C28 65(2) . . . . ? C22 C21 C27 C29 93(2) . . . . ? C26 C21 C27 C29 -83(2) . . . . ? Ru3 C21 C27 C29 -172.9(17) . . . . ? C36 C31 C32 C33 -2.8(19) . . . . ? C37 C31 C32 C33 177.3(12) . . . . ? Ru4 C31 C32 C33 52.7(12) . . . . ? C36 C31 C32 Ru4 -55.6(10) . . . . ? C37 C31 C32 Ru4 124.6(12) . . . . ? C31 C32 C33 C34 3(2) . . . . ? Ru4 C32 C33 C34 56.1(11) . . . . ? C31 C32 C33 Ru4 -53.3(12) . . . . ? C32 C33 C34 C35 -2(2) . . . . ? Ru4 C33 C34 C35 53.0(11) . . . . ? C32 C33 C34 C40 -175.6(14) . . . . ? Ru4 C33 C34 C40 -120.4(15) . . . . ? C32 C33 C34 Ru4 -55.3(11) . . . . ? C33 C34 C35 C36 2(2) . . . . ? C40 C34 C35 C36 175.4(15) . . . . ? Ru4 C34 C35 C36 54.4(12) . . . . ? C33 C34 C35 Ru4 -52.3(11) . . . . ? C40 C34 C35 Ru4 121.0(15) . . . . ? C34 C35 C36 C31 -2(2) . . . . ? Ru4 C35 C36 C31 52.5(12) . . . . ? C34 C35 C36 Ru4 -54.9(12) . . . . ? C32 C31 C36 C35 2.6(19) . . . . ? C37 C31 C36 C35 -177.5(12) . . . . ? Ru4 C31 C36 C35 -52.5(12) . . . . ? C32 C31 C36 Ru4 55.1(10) . . . . ? C37 C31 C36 Ru4 -125.1(12) . . . . ? C32 C31 C37 C38 125.8(14) . . . . ? C36 C31 C37 C38 -54.0(16) . . . . ? Ru4 C31 C37 C38 -143.7(11) . . . . ? C32 C31 C37 C39 -1(2) . . . . ? C36 C31 C37 C39 179.1(13) . . . . ? Ru4 C31 C37 C39 89.4(16) . . . . ? C46 C41 C42 C43 -3.9(18) . . . . ? C47 C41 C42 C43 176.6(11) . . . . ? Ru5 C41 C42 C43 -54.3(11) . . . . ? C46 C41 C42 Ru5 50.5(10) . . . . ? C47 C41 C42 Ru5 -129.1(10) . . . . ? C41 C42 C43 C44 1.7(19) . . . . ? Ru5 C42 C43 C44 -53.7(11) . . . . ? C41 C42 C43 Ru5 55.4(11) . . . . ? C42 C43 C44 C45 0.4(19) . . . . ? Ru5 C43 C44 C45 -53.1(11) . . . . ? C42 C43 C44 C50 179.4(12) . . . . ? Ru5 C43 C44 C50 125.9(12) . . . . ? C42 C43 C44 Ru5 53.5(11) . . . . ? C43 C44 C45 C46 -0.2(19) . . . . ? C50 C44 C45 C46 -179.2(12) . . . . ? Ru5 C44 C45 C46 -54.0(11) . . . . ? C43 C44 C45 Ru5 53.7(11) . . . . ? C50 C44 C45 Ru5 -125.2(11) . . . . ? C44 C45 C46 C41 -2.1(19) . . . . ? Ru5 C45 C46 C41 -56.8(11) . . . . ? C44 C45 C46 Ru5 54.7(11) . . . . ? C42 C41 C46 C45 4.1(18) . . . . ? C47 C41 C46 C45 -176.3(12) . . . . ? Ru5 C41 C46 C45 55.4(11) . . . . ? C42 C41 C46 Ru5 -51.2(10) . . . . ? C47 C41 C46 Ru5 128.3(12) . . . . ? C42 C41 C47 C49 -68.2(17) . . . . ? C46 C41 C47 C49 112.3(15) . . . . ? Ru5 C41 C47 C49 -156.1(13) . . . . ? C42 C41 C47 C48 168.5(12) . . . . ? C46 C41 C47 C48 -11.0(18) . . . . ? Ru5 C41 C47 C48 80.6(17) . . . . ? C56 C51 C52 C53 -2.4(18) . . . . ? C57 C51 C52 C53 -177.5(12) . . . . ? Ru6 C51 C52 C53 -53.6(11) . . . . ? C56 C51 C52 Ru6 51.2(10) . . . . ? C57 C51 C52 Ru6 -123.9(11) . . . . ? C51 C52 C53 C54 0.1(19) . . . . ? Ru6 C52 C53 C54 -53.9(11) . . . . ? C51 C52 C53 Ru6 54.0(10) . . . . ? C52 C53 C54 C55 0.5(19) . . . . ? Ru6 C53 C54 C55 -53.6(11) . . . . ? C52 C53 C54 C60 178.1(12) . . . . ? Ru6 C53 C54 C60 123.9(12) . . . . ? C52 C53 C54 Ru6 54.1(11) . . . . ? C53 C54 C55 C56 1.4(19) . . . . ? C60 C54 C55 C56 -176.1(13) . . . . ? Ru6 C54 C55 C56 -52.0(12) . . . . ? C53 C54 C55 Ru6 53.4(10) . . . . ? C60 C54 C55 Ru6 -124.1(13) . . . . ? C52 C51 C56 C55 4.3(19) . . . . ? C57 C51 C56 C55 179.2(12) . . . . ? Ru6 C51 C56 C55 56.0(12) . . . . ? C52 C51 C56 Ru6 -51.6(10) . . . . ? C57 C51 C56 Ru6 123.2(12) . . . . ? C54 C55 C56 C51 -4(2) . . . . ? Ru6 C55 C56 C51 -57.0(11) . . . . ? C54 C55 C56 Ru6 53.0(12) . . . . ? C56 C51 C57 C58 -20.5(19) . . . . ? C52 C51 C57 C58 154.2(13) . . . . ? Ru6 C51 C57 C58 67.8(17) . . . . ? C56 C51 C57 C59 104.8(16) . . . . ? C52 C51 C57 C59 -80.4(15) . . . . ? Ru6 C51 C57 C59 -166.8(11) . . . . ? N1 C61 C62 C63 -2(2) . . . . ? C61 C62 C63 C64 3.7(18) . . . . ? C61 C62 C63 C66 -175.8(12) . . . . ? C62 C63 C64 C65 -1.9(19) . . . . ? C66 C63 C64 C65 177.6(13) . . . . ? C63 C64 C65 N1 -2(2) . . . . ? C62 C63 C66 N8 173.2(12) . . . . ? C64 C63 C66 N8 -6.3(17) . . . . ? C62 C63 C66 N7 -4.9(18) . . . . ? C64 C63 C66 N7 175.6(12) . . . . ? N9 C67 C68 C69 -3.9(18) . . . . ? N8 C67 C68 C69 178.6(12) . . . . ? N9 C67 C68 C71 -177.3(12) . . . . ? N8 C67 C68 C71 5.2(19) . . . . ? C71 C68 C69 C70 2(2) . . . . ? C67 C68 C69 C70 -171.5(13) . . . . ? C68 C69 C70 N3 1(2) . . . . ? C69 C68 C71 C72 -1(2) . . . . ? C67 C68 C71 C72 173.2(12) . . . . ? C68 C71 C72 N3 -4(2) . . . . ? N9 C73 C74 C77 -173.1(12) . . . . ? N7 C73 C74 C77 7.5(18) . . . . ? N9 C73 C74 C75 6.6(16) . . . . ? N7 C73 C74 C75 -172.8(11) . . . . ? C77 C74 C75 C76 4.2(18) . . . . ? C73 C74 C75 C76 -175.5(12) . . . . ? C74 C75 C76 N5 -3(2) . . . . ? C75 C74 C77 C78 -3.0(18) . . . . ? C73 C74 C77 C78 176.7(11) . . . . ? C74 C77 C78 N5 0.7(19) . . . . ? N2 C79 C80 C81 -1(2) . . . . ? C79 C80 C81 C82 -4(2) . . . . ? C79 C80 C81 C84 176.7(13) . . . . ? C80 C81 C82 C83 5(2) . . . . ? C84 C81 C82 C83 -175.1(12) . . . . ? C81 C82 C83 N2 -3(2) . . . . ? C80 C81 C84 N11 -11.6(19) . . . . ? C82 C81 C84 N11 168.9(12) . . . . ? C80 C81 C84 N10 170.4(12) . . . . ? C82 C81 C84 N10 -9.0(17) . . . . ? N11 C85 C86 C89 -179.7(12) . . . . ? N12 C85 C86 C89 0.8(17) . . . . ? N11 C85 C86 C87 6.8(17) . . . . ? N12 C85 C86 C87 -172.8(11) . . . . ? C89 C86 C87 C88 -0.4(19) . . . . ? C85 C86 C87 C88 173.3(12) . . . . ? C86 C87 C88 N4 -4(2) . . . . ? C87 C86 C89 C90 1(2) . . . . ? C85 C86 C89 C90 -172.3(12) . . . . ? C86 C89 C90 N4 2(2) . . . . ? N12 C91 C92 C93 6.8(17) . . . . ? N10 C91 C92 C93 -174.4(11) . . . . ? N12 C91 C92 C95 -168.8(12) . . . . ? N10 C91 C92 C95 10.0(18) . . . . ? C95 C92 C93 C94 -1.2(19) . . . . ? C91 C92 C93 C94 -176.9(11) . . . . ? C92 C93 C94 N6 3(2) . . . . ? C93 C92 C95 C96 1(2) . . . . ? C91 C92 C95 C96 176.5(12) . . . . ? C92 C95 C96 N6 -2(2) . . . . ? C62 C61 N1 C65 -2(2) . . . . ? C62 C61 N1 Ru1 175.8(10) . . . . ? C64 C65 N1 C61 4(2) . . . . ? C64 C65 N1 Ru1 -173.8(11) . . . . ? C82 C83 N2 C79 -2(2) . . . . ? C82 C83 N2 Ru2 174.1(10) . . . . ? C80 C79 N2 C83 3(2) . . . . ? C80 C79 N2 Ru2 -172.4(11) . . . . ? C71 C72 N3 C70 7.3(19) . . . . ? C71 C72 N3 Ru3 -162.5(11) . . . . ? C69 C70 N3 C72 -5.5(19) . . . . ? C69 C70 N3 Ru3 164.8(11) . . . . ? C89 C90 N4 C88 -6(2) . . . . ? C89 C90 N4 Ru4 171.6(11) . . . . ? C87 C88 N4 C90 7(2) . . . . ? C87 C88 N4 Ru4 -170.6(11) . . . . ? C77 C78 N5 C76 0.5(17) . . . . ? C77 C78 N5 Ru5 -175.2(9) . . . . ? C75 C76 N5 C78 0.8(19) . . . . ? C75 C76 N5 Ru5 176.4(11) . . . . ? C93 C94 N6 C96 -3.3(19) . . . . ? C93 C94 N6 Ru6 172.5(10) . . . . ? C95 C96 N6 C94 3.0(19) . . . . ? C95 C96 N6 Ru6 -172.7(10) . . . . ? N8 C66 N7 C73 -5.0(18) . . . . ? C63 C66 N7 C73 173.0(11) . . . . ? N9 C73 N7 C66 3.6(17) . . . . ? C74 C73 N7 C66 -177.1(11) . . . . ? N7 C66 N8 C67 0.3(18) . . . . ? C63 C66 N8 C67 -177.7(11) . . . . ? N9 C67 N8 C66 6.6(18) . . . . ? C68 C67 N8 C66 -176.2(11) . . . . ? N7 C73 N9 C67 2.4(17) . . . . ? C74 C73 N9 C67 -176.9(10) . . . . ? N8 C67 N9 C73 -7.8(17) . . . . ? C68 C67 N9 C73 174.9(10) . . . . ? N11 C84 N10 C91 -0.8(17) . . . . ? C81 C84 N10 C91 177.1(11) . . . . ? N12 C91 N10 C84 0.4(17) . . . . ? C92 C91 N10 C84 -178.3(10) . . . . ? N10 C84 N11 C85 -1.2(17) . . . . ? C81 C84 N11 C85 -179.0(10) . . . . ? N12 C85 N11 C84 3.7(17) . . . . ? C86 C85 N11 C84 -175.9(10) . . . . ? N10 C91 N12 C85 1.7(17) . . . . ? C92 C91 N12 C85 -179.6(10) . . . . ? N11 C85 N12 C91 -3.9(17) . . . . ? C86 C85 N12 C91 175.6(10) . . . . ? C61 N1 Ru1 C2 31(2) . . . . ? C65 N1 Ru1 C2 -151.7(15) . . . . ? C61 N1 Ru1 C3 137.6(14) . . . . ? C65 N1 Ru1 C3 -45.2(19) . . . . ? C61 N1 Ru1 C5 98.8(11) . . . . ? C65 N1 Ru1 C5 -83.9(12) . . . . ? C61 N1 Ru1 C1 32.5(12) . . . . ? C65 N1 Ru1 C1 -150.2(11) . . . . ? C61 N1 Ru1 C6 60.4(11) . . . . ? C65 N1 Ru1 C6 -122.3(11) . . . . ? C61 N1 Ru1 C4 128.4(11) . . . . ? C65 N1 Ru1 C4 -54.3(12) . . . . ? C61 N1 Ru1 Cl1 -57.0(10) . . . . ? C65 N1 Ru1 Cl1 120.3(11) . . . . ? C61 N1 Ru1 Cl2 -139.1(10) . . . . ? C65 N1 Ru1 Cl2 38.2(11) . . . . ? C3 C2 Ru1 N1 135.3(15) . . . . ? C1 C2 Ru1 N1 2(2) . . . . ? C1 C2 Ru1 C3 -133.3(14) . . . . ? C3 C2 Ru1 C5 65.2(10) . . . . ? C1 C2 Ru1 C5 -68.1(10) . . . . ? C3 C2 Ru1 C1 133.3(14) . . . . ? C3 C2 Ru1 C6 103.4(10) . . . . ? C1 C2 Ru1 C6 -29.9(9) . . . . ? C3 C2 Ru1 C4 29.4(10) . . . . ? C1 C2 Ru1 C4 -104.0(10) . . . . ? C3 C2 Ru1 Cl1 -138.1(9) . . . . ? C1 C2 Ru1 Cl1 88.6(9) . . . . ? C3 C2 Ru1 Cl2 -55.3(10) . . . . ? C1 C2 Ru1 Cl2 171.4(8) . . . . ? C2 C3 Ru1 N1 -147.0(12) . . . . ? C4 C3 Ru1 N1 -13.0(19) . . . . ? C4 C3 Ru1 C2 134.0(15) . . . . ? C2 C3 Ru1 C5 -104.3(11) . . . . ? C4 C3 Ru1 C5 29.7(10) . . . . ? C2 C3 Ru1 C1 -28.9(9) . . . . ? C4 C3 Ru1 C1 105.1(11) . . . . ? C2 C3 Ru1 C6 -66.1(10) . . . . ? C4 C3 Ru1 C6 67.9(10) . . . . ? C2 C3 Ru1 C4 -134.0(15) . . . . ? C2 C3 Ru1 Cl1 49.6(11) . . . . ? C4 C3 Ru1 Cl1 -176.5(8) . . . . ? C2 C3 Ru1 Cl2 130.0(9) . . . . ? C4 C3 Ru1 Cl2 -96.0(10) . . . . ? C4 C5 Ru1 N1 131.3(11) . . . . ? C6 C5 Ru1 N1 -95.2(10) . . . . ? C4 C5 Ru1 C2 -66.8(11) . . . . ? C6 C5 Ru1 C2 66.8(11) . . . . ? C4 C5 Ru1 C3 -32.0(11) . . . . ? C6 C5 Ru1 C3 101.6(12) . . . . ? C4 C5 Ru1 C1 -104.0(12) . . . . ? C6 C5 Ru1 C1 29.6(10) . . . . ? C4 C5 Ru1 C6 -133.5(17) . . . . ? C6 C5 Ru1 C4 133.5(17) . . . . ? C4 C5 Ru1 Cl1 -141.3(11) . . . . ? C6 C5 Ru1 Cl1 -8(2) . . . . ? C4 C5 Ru1 Cl2 41.7(13) . . . . ? C6 C5 Ru1 Cl2 175.3(8) . . . . ? C2 C1 Ru1 N1 -179.2(8) . . . . ? C6 C1 Ru1 N1 49.7(11) . . . . ? C7 C1 Ru1 N1 -65.0(16) . . . . ? C6 C1 Ru1 C2 -131.1(14) . . . . ? C7 C1 Ru1 C2 114.2(18) . . . . ? C2 C1 Ru1 C3 27.5(9) . . . . ? C6 C1 Ru1 C3 -103.7(11) . . . . ? C7 C1 Ru1 C3 141.6(17) . . . . ? C2 C1 Ru1 C5 101.1(11) . . . . ? C6 C1 Ru1 C5 -30.1(10) . . . . ? C7 C1 Ru1 C5 -144.8(17) . . . . ? C2 C1 Ru1 C6 131.1(14) . . . . ? C7 C1 Ru1 C6 -115(2) . . . . ? C2 C1 Ru1 C4 65.6(10) . . . . ? C6 C1 Ru1 C4 -65.5(10) . . . . ? C7 C1 Ru1 C4 179.8(17) . . . . ? C2 C1 Ru1 Cl1 -93.3(9) . . . . ? C6 C1 Ru1 Cl1 135.6(9) . . . . ? C7 C1 Ru1 Cl1 20.9(15) . . . . ? C2 C1 Ru1 Cl2 -15.2(14) . . . . ? C6 C1 Ru1 Cl2 -146.3(8) . . . . ? C7 C1 Ru1 Cl2 99.0(17) . . . . ? C1 C6 Ru1 N1 -140.3(10) . . . . ? C5 C6 Ru1 N1 88.3(11) . . . . ? C1 C6 Ru1 C2 29.7(10) . . . . ? C5 C6 Ru1 C2 -101.7(12) . . . . ? C1 C6 Ru1 C3 64.6(10) . . . . ? C5 C6 Ru1 C3 -66.7(11) . . . . ? C1 C6 Ru1 C5 131.4(15) . . . . ? C5 C6 Ru1 C1 -131.4(15) . . . . ? C1 C6 Ru1 C4 103.9(11) . . . . ? C5 C6 Ru1 C4 -27.5(11) . . . . ? C1 C6 Ru1 Cl1 -52.2(11) . . . . ? C5 C6 Ru1 Cl1 176.4(9) . . . . ? C1 C6 Ru1 Cl2 119.5(13) . . . . ? C5 C6 Ru1 Cl2 -12(2) . . . . ? C5 C4 Ru1 N1 -56.7(12) . . . . ? C10 C4 Ru1 N1 60.5(18) . . . . ? C3 C4 Ru1 N1 173.9(9) . . . . ? C5 C4 Ru1 C2 102.7(12) . . . . ? C10 C4 Ru1 C2 -140.2(18) . . . . ? C3 C4 Ru1 C2 -26.8(10) . . . . ? C5 C4 Ru1 C3 129.4(16) . . . . ? C10 C4 Ru1 C3 -113(2) . . . . ? C10 C4 Ru1 C5 117(2) . . . . ? C3 C4 Ru1 C5 -129.4(16) . . . . ? C5 C4 Ru1 C1 66.1(12) . . . . ? C10 C4 Ru1 C1 -176.8(18) . . . . ? C3 C4 Ru1 C1 -63.3(11) . . . . ? C5 C4 Ru1 C6 29.1(11) . . . . ? C10 C4 Ru1 C6 146.3(18) . . . . ? C3 C4 Ru1 C6 -100.3(11) . . . . ? C5 C4 Ru1 Cl1 137.6(12) . . . . ? C10 C4 Ru1 Cl1 -105.2(18) . . . . ? C3 C4 Ru1 Cl1 8.2(19) . . . . ? C5 C4 Ru1 Cl2 -145.6(11) . . . . ? C10 C4 Ru1 Cl2 -28.5(17) . . . . ? C3 C4 Ru1 Cl2 84.9(10) . . . . ? Ru2 Cl1 Ru1 N1 -93.9(3) . . . . ? Ru2 Cl1 Ru1 C2 105.3(5) . . . . ? Ru2 Cl1 Ru1 C3 79.1(6) . . . . ? Ru2 Cl1 Ru1 C5 176.9(13) . . . . ? Ru2 Cl1 Ru1 C1 142.6(5) . . . . ? Ru2 Cl1 Ru1 C6 171.4(5) . . . . ? Ru2 Cl1 Ru1 C4 73.2(13) . . . . ? Ru2 Cl1 Ru1 Cl2 -5.72(14) . . . . ? Ru2 Cl2 Ru1 N1 91.5(3) . . . . ? Ru2 Cl2 Ru1 C2 -85.1(4) . . . . ? Ru2 Cl2 Ru1 C3 -113.5(5) . . . . ? Ru2 Cl2 Ru1 C5 -175.5(6) . . . . ? Ru2 Cl2 Ru1 C1 -75.3(8) . . . . ? Ru2 Cl2 Ru1 C6 -166.9(13) . . . . ? Ru2 Cl2 Ru1 C4 -152.4(5) . . . . ? Ru2 Cl2 Ru1 Cl1 5.73(14) . . . . ? C83 N2 Ru2 C16 -37.5(13) . . . . ? C79 N2 Ru2 C16 138.4(11) . . . . ? C83 N2 Ru2 C15 -82(3) . . . . ? C79 N2 Ru2 C15 94(3) . . . . ? C83 N2 Ru2 C12 -93.0(11) . . . . ? C79 N2 Ru2 C12 82.8(12) . . . . ? C83 N2 Ru2 C13 -127.4(11) . . . . ? C79 N2 Ru2 C13 48.4(12) . . . . ? C83 N2 Ru2 C14 -146.0(10) . . . . ? C79 N2 Ru2 C14 29.8(15) . . . . ? C83 N2 Ru2 C11 -57.0(11) . . . . ? C79 N2 Ru2 C11 118.8(11) . . . . ? C83 N2 Ru2 Cl2 130.6(10) . . . . ? C79 N2 Ru2 Cl2 -53.6(10) . . . . ? C83 N2 Ru2 Cl1 48.2(10) . . . . ? C79 N2 Ru2 Cl1 -135.9(11) . . . . ? C11 C16 Ru2 N2 -34.0(14) . . . . ? C15 C16 Ru2 N2 -166.8(8) . . . . ? C11 C16 Ru2 C15 132.8(15) . . . . ? C11 C16 Ru2 C12 29.6(10) . . . . ? C15 C16 Ru2 C12 -103.2(11) . . . . ? C11 C16 Ru2 C13 65.9(11) . . . . ? C15 C16 Ru2 C13 -66.9(10) . . . . ? C11 C16 Ru2 C14 103.6(11) . . . . ? C15 C16 Ru2 C14 -29.2(9) . . . . ? C15 C16 Ru2 C11 -132.8(15) . . . . ? C11 C16 Ru2 Cl2 164.7(8) . . . . ? C15 C16 Ru2 Cl2 31.9(13) . . . . ? C11 C16 Ru2 Cl1 -119.2(10) . . . . ? C15 C16 Ru2 Cl1 108.0(9) . . . . ? C16 C15 Ru2 N2 54(3) . . . . ? C14 C15 Ru2 N2 -78(3) . . . . ? C14 C15 Ru2 C16 -131.9(14) . . . . ? C16 C15 Ru2 C12 65.4(10) . . . . ? C14 C15 Ru2 C12 -66.5(10) . . . . ? C16 C15 Ru2 C13 102.4(11) . . . . ? C14 C15 Ru2 C13 -29.5(10) . . . . ? C16 C15 Ru2 C14 131.9(14) . . . . ? C16 C15 Ru2 C11 27.7(9) . . . . ? C14 C15 Ru2 C11 -104.2(10) . . . . ? C16 C15 Ru2 Cl2 -159.4(9) . . . . ? C14 C15 Ru2 Cl2 68.7(9) . . . . ? C16 C15 Ru2 Cl1 -75.0(9) . . . . ? C14 C15 Ru2 Cl1 153.1(9) . . . . ? C13 C12 Ru2 N2 -115.5(11) . . . . ? C11 C12 Ru2 N2 110.6(11) . . . . ? C13 C12 Ru2 C16 105.8(13) . . . . ? C11 C12 Ru2 C16 -28.1(11) . . . . ? C13 C12 Ru2 C15 67.0(12) . . . . ? C11 C12 Ru2 C15 -67.0(11) . . . . ? C11 C12 Ru2 C13 -133.9(17) . . . . ? C13 C12 Ru2 C14 29.6(11) . . . . ? C11 C12 Ru2 C14 -104.4(12) . . . . ? C13 C12 Ru2 C11 133.9(17) . . . . ? C13 C12 Ru2 Cl2 -33.1(14) . . . . ? C11 C12 Ru2 Cl2 -167.1(8) . . . . ? C13 C12 Ru2 Cl1 161.3(9) . . . . ? C11 C12 Ru2 Cl1 27.4(15) . . . . ? C12 C13 Ru2 N2 68.0(12) . . . . ? C14 C13 Ru2 N2 -159.9(10) . . . . ? C12 C13 Ru2 C16 -63.8(12) . . . . ? C14 C13 Ru2 C16 68.4(11) . . . . ? C12 C13 Ru2 C15 -102.7(12) . . . . ? C14 C13 Ru2 C15 29.4(11) . . . . ? C14 C13 Ru2 C12 132.1(17) . . . . ? C12 C13 Ru2 C14 -132.1(17) . . . . ? C12 C13 Ru2 C11 -28.5(11) . . . . ? C14 C13 Ru2 C11 103.6(12) . . . . ? C12 C13 Ru2 Cl2 157.1(10) . . . . ? C14 C13 Ru2 Cl2 -70.8(11) . . . . ? C12 C13 Ru2 Cl1 -90(3) . . . . ? C14 C13 Ru2 Cl1 42(3) . . . . ? C15 C14 Ru2 N2 162.1(9) . . . . ? C20 C14 Ru2 N2 -84(2) . . . . ? C13 C14 Ru2 N2 30.1(14) . . . . ? C15 C14 Ru2 C16 30.3(10) . . . . ? C20 C14 Ru2 C16 144(2) . . . . ? C13 C14 Ru2 C16 -101.7(12) . . . . ? C20 C14 Ru2 C15 114(2) . . . . ? C13 C14 Ru2 C15 -132.0(15) . . . . ? C15 C14 Ru2 C12 102.9(11) . . . . ? C20 C14 Ru2 C12 -143(2) . . . . ? C13 C14 Ru2 C12 -29.1(11) . . . . ? C15 C14 Ru2 C13 132.0(15) . . . . ? C20 C14 Ru2 C13 -114(2) . . . . ? C15 C14 Ru2 C11 65.7(10) . . . . ? C20 C14 Ru2 C11 180(2) . . . . ? C13 C14 Ru2 C11 -66.3(11) . . . . ? C15 C14 Ru2 Cl2 -115.2(9) . . . . ? C20 C14 Ru2 Cl2 -1.1(19) . . . . ? C13 C14 Ru2 Cl2 112.8(10) . . . . ? C15 C14 Ru2 Cl1 -37.4(12) . . . . ? C20 C14 Ru2 Cl1 77(2) . . . . ? C13 C14 Ru2 Cl1 -169.4(9) . . . . ? C16 C11 Ru2 N2 155.2(11) . . . . ? C12 C11 Ru2 N2 -72.2(11) . . . . ? C17 C11 Ru2 N2 40.2(18) . . . . ? C12 C11 Ru2 C16 132.6(16) . . . . ? C17 C11 Ru2 C16 -115(2) . . . . ? C16 C11 Ru2 C15 -30.1(11) . . . . ? C12 C11 Ru2 C15 102.4(12) . . . . ? C17 C11 Ru2 C15 -145.2(19) . . . . ? C16 C11 Ru2 C12 -132.6(16) . . . . ? C17 C11 Ru2 C12 112(2) . . . . ? C16 C11 Ru2 C13 -104.5(12) . . . . ? C12 C11 Ru2 C13 28.0(11) . . . . ? C17 C11 Ru2 C13 140.4(19) . . . . ? C16 C11 Ru2 C14 -67.2(12) . . . . ? C12 C11 Ru2 C14 65.4(11) . . . . ? C17 C11 Ru2 C14 177.8(18) . . . . ? C16 C11 Ru2 Cl2 -72(3) . . . . ? C12 C11 Ru2 Cl2 60(3) . . . . ? C17 C11 Ru2 Cl2 172.6(19) . . . . ? C16 C11 Ru2 Cl1 64.9(11) . . . . ? C12 C11 Ru2 Cl1 -162.5(9) . . . . ? C17 C11 Ru2 Cl1 -50.2(18) . . . . ? Ru1 Cl2 Ru2 N2 -93.7(3) . . . . ? Ru1 Cl2 Ru2 C16 72.7(8) . . . . ? Ru1 Cl2 Ru2 C15 92.9(5) . . . . ? Ru1 Cl2 Ru2 C12 -176.6(7) . . . . ? Ru1 Cl2 Ru2 C13 163.5(5) . . . . ? Ru1 Cl2 Ru2 C14 127.8(5) . . . . ? Ru1 Cl2 Ru2 C11 133(3) . . . . ? Ru1 Cl2 Ru2 Cl1 -5.73(14) . . . . ? Ru1 Cl1 Ru2 N2 92.3(4) . . . . ? Ru1 Cl1 Ru2 C16 -135.0(6) . . . . ? Ru1 Cl1 Ru2 C15 -97.1(5) . . . . ? Ru1 Cl1 Ru2 C12 175.7(8) . . . . ? Ru1 Cl1 Ru2 C13 -109(3) . . . . ? Ru1 Cl1 Ru2 C14 -74.8(6) . . . . ? Ru1 Cl1 Ru2 C11 -167.2(5) . . . . ? Ru1 Cl1 Ru2 Cl2 5.74(14) . . . . ? C72 N3 Ru3 C22 65.8(10) . . . . ? C70 N3 Ru3 C22 -103.7(10) . . . . ? C72 N3 Ru3 C23 103.3(10) . . . . ? C70 N3 Ru3 C23 -66.2(10) . . . . ? C72 N3 Ru3 C25 134.6(12) . . . . ? C70 N3 Ru3 C25 -34.8(16) . . . . ? C72 N3 Ru3 C24 131.4(10) . . . . ? C70 N3 Ru3 C24 -38.1(11) . . . . ? C72 N3 Ru3 C26 38.8(18) . . . . ? C70 N3 Ru3 C26 -130.7(14) . . . . ? C72 N3 Ru3 C21 37.3(11) . . . . ? C70 N3 Ru3 C21 -132.2(10) . . . . ? C72 N3 Ru3 Cl3 -55.7(9) . . . . ? C70 N3 Ru3 Cl3 134.8(9) . . . . ? C72 N3 Ru3 Cl4 -137.3(10) . . . . ? C70 N3 Ru3 Cl4 53.2(9) . . . . ? C23 C22 Ru3 N3 87.9(10) . . . . ? C21 C22 Ru3 N3 -136.6(11) . . . . ? C21 C22 Ru3 C23 135.6(16) . . . . ? C23 C22 Ru3 C25 -65.8(10) . . . . ? C21 C22 Ru3 C25 69.7(11) . . . . ? C23 C22 Ru3 C24 -28.7(10) . . . . ? C21 C22 Ru3 C24 106.9(12) . . . . ? C23 C22 Ru3 C26 -104.0(11) . . . . ? C21 C22 Ru3 C26 31.6(11) . . . . ? C23 C22 Ru3 C21 -135.6(16) . . . . ? C23 C22 Ru3 Cl3 177.0(8) . . . . ? C21 C22 Ru3 Cl3 -47.5(12) . . . . ? C23 C22 Ru3 Cl4 -0.6(18) . . . . ? C21 C22 Ru3 Cl4 135.0(11) . . . . ? C22 C23 Ru3 N3 -92.3(10) . . . . ? C24 C23 Ru3 N3 134.9(10) . . . . ? C24 C23 Ru3 C22 -132.8(15) . . . . ? C22 C23 Ru3 C25 103.0(11) . . . . ? C24 C23 Ru3 C25 -29.8(10) . . . . ? C22 C23 Ru3 C24 132.8(15) . . . . ? C22 C23 Ru3 C26 65.3(11) . . . . ? C24 C23 Ru3 C26 -67.5(11) . . . . ? C22 C23 Ru3 C21 27.5(10) . . . . ? C24 C23 Ru3 C21 -105.3(11) . . . . ? C22 C23 Ru3 Cl3 -7.2(19) . . . . ? C24 C23 Ru3 Cl3 -140.1(12) . . . . ? C22 C23 Ru3 Cl4 179.7(8) . . . . ? C24 C23 Ru3 Cl4 46.9(11) . . . . ? C26 C25 Ru3 N3 -138.1(11) . . . . ? C24 C25 Ru3 N3 -4.8(16) . . . . ? C26 C25 Ru3 C22 -66.6(9) . . . . ? C24 C25 Ru3 C22 66.7(10) . . . . ? C26 C25 Ru3 C23 -103.7(9) . . . . ? C24 C25 Ru3 C23 29.6(10) . . . . ? C26 C25 Ru3 C24 -133.3(13) . . . . ? C24 C25 Ru3 C26 133.3(13) . . . . ? C26 C25 Ru3 C21 -28.4(8) . . . . ? C24 C25 Ru3 C21 104.9(11) . . . . ? C26 C25 Ru3 Cl3 53.7(9) . . . . ? C24 C25 Ru3 Cl3 -173.0(9) . . . . ? C26 C25 Ru3 Cl4 134.3(8) . . . . ? C24 C25 Ru3 Cl4 -92.4(10) . . . . ? C25 C24 Ru3 N3 177.5(8) . . . . ? C23 C24 Ru3 N3 -51.3(11) . . . . ? C30 C24 Ru3 N3 63.9(16) . . . . ? C25 C24 Ru3 C22 -102.3(11) . . . . ? C23 C24 Ru3 C22 28.9(9) . . . . ? C30 C24 Ru3 C22 144.1(16) . . . . ? C25 C24 Ru3 C23 -131.2(15) . . . . ? C30 C24 Ru3 C23 115.2(18) . . . . ? C23 C24 Ru3 C25 131.2(15) . . . . ? C30 C24 Ru3 C25 -113.6(19) . . . . ? C25 C24 Ru3 C26 -29.0(9) . . . . ? C23 C24 Ru3 C26 102.2(11) . . . . ? C30 C24 Ru3 C26 -142.6(16) . . . . ? C25 C24 Ru3 C21 -65.7(10) . . . . ? C23 C24 Ru3 C21 65.4(10) . . . . ? C30 C24 Ru3 C21 -179.4(16) . . . . ? C25 C24 Ru3 Cl3 14.9(18) . . . . ? C23 C24 Ru3 Cl3 146.1(10) . . . . ? C30 C24 Ru3 Cl3 -98.7(17) . . . . ? C25 C24 Ru3 Cl4 88.4(9) . . . . ? C23 C24 Ru3 Cl4 -140.5(9) . . . . ? C30 C24 Ru3 Cl4 -25.3(15) . . . . ? C25 C26 Ru3 N3 131.5(13) . . . . ? C21 C26 Ru3 N3 -2.2(18) . . . . ? C25 C26 Ru3 C22 102.0(9) . . . . ? C21 C26 Ru3 C22 -31.7(9) . . . . ? C25 C26 Ru3 C23 65.2(9) . . . . ? C21 C26 Ru3 C23 -68.5(10) . . . . ? C21 C26 Ru3 C25 -133.7(13) . . . . ? C25 C26 Ru3 C24 28.4(9) . . . . ? C21 C26 Ru3 C24 -105.4(11) . . . . ? C25 C26 Ru3 C21 133.7(13) . . . . ? C25 C26 Ru3 Cl3 -134.9(8) . . . . ? C21 C26 Ru3 Cl3 91.4(9) . . . . ? C25 C26 Ru3 Cl4 -52.9(9) . . . . ? C21 C26 Ru3 Cl4 173.4(8) . . . . ? C22 C21 Ru3 N3 50.8(12) . . . . ? C26 C21 Ru3 N3 179.0(8) . . . . ? C27 C21 Ru3 N3 -69.3(17) . . . . ? C26 C21 Ru3 C22 128.2(15) . . . . ? C27 C21 Ru3 C22 -120(2) . . . . ? C22 C21 Ru3 C23 -27.1(10) . . . . ? C26 C21 Ru3 C23 101.0(11) . . . . ? C27 C21 Ru3 C23 -147.2(19) . . . . ? C22 C21 Ru3 C25 -99.5(11) . . . . ? C26 C21 Ru3 C25 28.7(9) . . . . ? C27 C21 Ru3 C25 140.4(18) . . . . ? C22 C21 Ru3 C24 -63.1(11) . . . . ? C26 C21 Ru3 C24 65.0(10) . . . . ? C27 C21 Ru3 C24 176.8(18) . . . . ? C22 C21 Ru3 C26 -128.2(15) . . . . ? C27 C21 Ru3 C26 111.8(19) . . . . ? C22 C21 Ru3 Cl3 141.0(10) . . . . ? C26 C21 Ru3 Cl3 -90.8(9) . . . . ? C27 C21 Ru3 Cl3 20.9(17) . . . . ? C22 C21 Ru3 Cl4 -141.5(9) . . . . ? C26 C21 Ru3 Cl4 -13.4(17) . . . . ? C27 C21 Ru3 Cl4 98(2) . . . . ? Ru4 Cl3 Ru3 N3 -89.8(3) . . . . ? Ru4 Cl3 Ru3 C22 179.8(5) . . . . ? Ru4 Cl3 Ru3 C23 -175.0(13) . . . . ? Ru4 Cl3 Ru3 C25 84.7(5) . . . . ? Ru4 Cl3 Ru3 C24 74.4(12) . . . . ? Ru4 Cl3 Ru3 C26 114.8(5) . . . . ? Ru4 Cl3 Ru3 C21 152.7(5) . . . . ? Ru4 Cl3 Ru3 Cl4 -1.16(13) . . . . ? Ru4 Cl4 Ru3 N3 90.1(3) . . . . ? Ru4 Cl4 Ru3 C22 179.0(12) . . . . ? Ru4 Cl4 Ru3 C23 178.6(5) . . . . ? Ru4 Cl4 Ru3 C25 -117.8(4) . . . . ? Ru4 Cl4 Ru3 C24 -155.2(4) . . . . ? Ru4 Cl4 Ru3 C26 -88.1(5) . . . . ? Ru4 Cl4 Ru3 C21 -79.0(11) . . . . ? Ru4 Cl4 Ru3 Cl3 1.16(13) . . . . ? C90 N4 Ru4 C33 109.0(11) . . . . ? C88 N4 Ru4 C33 -73.7(11) . . . . ? C90 N4 Ru4 C32 71.0(11) . . . . ? C88 N4 Ru4 C32 -111.7(11) . . . . ? C90 N4 Ru4 C34 136.8(12) . . . . ? C88 N4 Ru4 C34 -45.9(13) . . . . ? C90 N4 Ru4 C36 33.3(17) . . . . ? C88 N4 Ru4 C36 -149.4(12) . . . . ? C90 N4 Ru4 C35 137.1(16) . . . . ? C88 N4 Ru4 C35 -46(2) . . . . ? C90 N4 Ru4 C31 39.9(12) . . . . ? C88 N4 Ru4 C31 -142.8(10) . . . . ? C90 N4 Ru4 Cl4 -50.9(10) . . . . ? C88 N4 Ru4 Cl4 126.4(10) . . . . ? C90 N4 Ru4 Cl3 -132.7(11) . . . . ? C88 N4 Ru4 Cl3 44.6(10) . . . . ? C34 C33 Ru4 N4 140.5(10) . . . . ? C32 C33 Ru4 N4 -88.4(10) . . . . ? C34 C33 Ru4 C32 -131.1(15) . . . . ? C32 C33 Ru4 C34 131.1(15) . . . . ? C34 C33 Ru4 C36 -65.8(11) . . . . ? C32 C33 Ru4 C36 65.3(10) . . . . ? C34 C33 Ru4 C35 -29.3(10) . . . . ? C32 C33 Ru4 C35 101.7(11) . . . . ? C34 C33 Ru4 C31 -103.0(11) . . . . ? C32 C33 Ru4 C31 28.0(9) . . . . ? C34 C33 Ru4 Cl4 -129.2(13) . . . . ? C32 C33 Ru4 Cl4 1.9(19) . . . . ? C34 C33 Ru4 Cl3 50.8(11) . . . . ? C32 C33 Ru4 Cl3 -178.1(8) . . . . ? C31 C32 Ru4 N4 -131.2(9) . . . . ? C33 C32 Ru4 N4 94.2(10) . . . . ? C31 C32 Ru4 C33 134.6(14) . . . . ? C31 C32 Ru4 C34 104.4(10) . . . . ? C33 C32 Ru4 C34 -30.1(10) . . . . ? C31 C32 Ru4 C36 31.3(9) . . . . ? C33 C32 Ru4 C36 -103.2(11) . . . . ? C31 C32 Ru4 C35 67.5(10) . . . . ? C33 C32 Ru4 C35 -67.1(10) . . . . ? C33 C32 Ru4 C31 -134.6(14) . . . . ? C31 C32 Ru4 Cl4 -44.7(10) . . . . ? C33 C32 Ru4 Cl4 -179.2(8) . . . . ? C31 C32 Ru4 Cl3 138.7(10) . . . . ? C33 C32 Ru4 Cl3 4.2(17) . . . . ? C35 C34 Ru4 N4 179.9(9) . . . . ? C33 C34 Ru4 N4 -48.9(12) . . . . ? C40 C34 Ru4 N4 64(2) . . . . ? C35 C34 Ru4 C33 -131.3(16) . . . . ? C40 C34 Ru4 C33 113(2) . . . . ? C35 C34 Ru4 C32 -101.3(12) . . . . ? C33 C34 Ru4 C32 29.9(9) . . . . ? C40 C34 Ru4 C32 143(2) . . . . ? C35 C34 Ru4 C36 -28.6(10) . . . . ? C33 C34 Ru4 C36 102.7(11) . . . . ? C40 C34 Ru4 C36 -144(2) . . . . ? C33 C34 Ru4 C35 131.3(16) . . . . ? C40 C34 Ru4 C35 -115(2) . . . . ? C35 C34 Ru4 C31 -64.2(11) . . . . ? C33 C34 Ru4 C31 67.0(10) . . . . ? C40 C34 Ru4 C31 -180(2) . . . . ? C35 C34 Ru4 Cl4 15.8(18) . . . . ? C33 C34 Ru4 Cl4 147.1(9) . . . . ? C40 C34 Ru4 Cl4 -100(2) . . . . ? C35 C34 Ru4 Cl3 91.7(10) . . . . ? C33 C34 Ru4 Cl3 -137.0(9) . . . . ? C40 C34 Ru4 Cl3 -23.7(19) . . . . ? C35 C36 Ru4 N4 145.9(11) . . . . ? C31 C36 Ru4 N4 9.8(16) . . . . ? C35 C36 Ru4 C33 66.6(9) . . . . ? C31 C36 Ru4 C33 -69.5(9) . . . . ? C35 C36 Ru4 C32 104.1(10) . . . . ? C31 C36 Ru4 C32 -32.0(9) . . . . ? C35 C36 Ru4 C34 28.8(9) . . . . ? C31 C36 Ru4 C34 -107.3(10) . . . . ? C31 C36 Ru4 C35 -136.1(13) . . . . ? C35 C36 Ru4 C31 136.1(13) . . . . ? C35 C36 Ru4 Cl4 -131.2(9) . . . . ? C31 C36 Ru4 Cl4 92.7(8) . . . . ? C35 C36 Ru4 Cl3 -50.1(10) . . . . ? C31 C36 Ru4 Cl3 173.8(7) . . . . ? C34 C35 Ru4 N4 0(2) . . . . ? C36 C35 Ru4 N4 -133.1(15) . . . . ? C34 C35 Ru4 C33 30.2(11) . . . . ? C36 C35 Ru4 C33 -102.6(10) . . . . ? C34 C35 Ru4 C32 67.9(11) . . . . ? C36 C35 Ru4 C32 -64.8(9) . . . . ? C36 C35 Ru4 C34 -132.8(15) . . . . ? C34 C35 Ru4 C36 132.8(15) . . . . ? C34 C35 Ru4 C31 105.9(11) . . . . ? C36 C35 Ru4 C31 -26.9(9) . . . . ? C34 C35 Ru4 Cl4 -171.6(10) . . . . ? C36 C35 Ru4 Cl4 55.6(9) . . . . ? C34 C35 Ru4 Cl3 -89.7(11) . . . . ? C36 C35 Ru4 Cl3 137.5(8) . . . . ? C32 C31 Ru4 N4 56.9(10) . . . . ? C36 C31 Ru4 N4 -175.1(8) . . . . ? C37 C31 Ru4 N4 -60.5(14) . . . . ? C32 C31 Ru4 C33 -27.9(9) . . . . ? C36 C31 Ru4 C33 100.0(10) . . . . ? C37 C31 Ru4 C33 -145.3(15) . . . . ? C36 C31 Ru4 C32 128.0(13) . . . . ? C37 C31 Ru4 C32 -117.4(17) . . . . ? C32 C31 Ru4 C34 -65.5(10) . . . . ? C36 C31 Ru4 C34 62.5(10) . . . . ? C37 C31 Ru4 C34 177.1(14) . . . . ? C32 C31 Ru4 C36 -128.0(13) . . . . ? C37 C31 Ru4 C36 114.6(16) . . . . ? C32 C31 Ru4 C35 -101.3(10) . . . . ? C36 C31 Ru4 C35 26.6(9) . . . . ? C37 C31 Ru4 C35 141.3(15) . . . . ? C32 C31 Ru4 Cl4 143.4(9) . . . . ? C36 C31 Ru4 Cl4 -88.7(8) . . . . ? C37 C31 Ru4 Cl4 26.0(13) . . . . ? C32 C31 Ru4 Cl3 -141.0(9) . . . . ? C36 C31 Ru4 Cl3 -13.0(15) . . . . ? C37 C31 Ru4 Cl3 101.6(14) . . . . ? Ru3 Cl4 Ru4 N4 -89.2(3) . . . . ? Ru3 Cl4 Ru4 C33 178.9(13) . . . . ? Ru3 Cl4 Ru4 C32 -179.8(5) . . . . ? Ru3 Cl4 Ru4 C34 77.4(11) . . . . ? Ru3 Cl4 Ru4 C36 117.4(5) . . . . ? Ru3 Cl4 Ru4 C35 87.8(5) . . . . ? Ru3 Cl4 Ru4 C31 154.5(4) . . . . ? Ru3 Cl4 Ru4 Cl3 -1.16(13) . . . . ? Ru3 Cl3 Ru4 N4 87.1(3) . . . . ? Ru3 Cl3 Ru4 C33 -178.9(5) . . . . ? Ru3 Cl3 Ru4 C32 178.2(11) . . . . ? Ru3 Cl3 Ru4 C34 -150.2(5) . . . . ? Ru3 Cl3 Ru4 C36 -85.8(5) . . . . ? Ru3 Cl3 Ru4 C35 -113.1(5) . . . . ? Ru3 Cl3 Ru4 C31 -76.9(9) . . . . ? Ru3 Cl3 Ru4 Cl4 1.16(13) . . . . ? C78 N5 Ru5 C46 -134.8(9) . . . . ? C76 N5 Ru5 C46 49.8(11) . . . . ? C78 N5 Ru5 C45 -107.2(10) . . . . ? C76 N5 Ru5 C45 77.4(10) . . . . ? C78 N5 Ru5 C42 -26.4(15) . . . . ? C76 N5 Ru5 C42 158.2(11) . . . . ? C78 N5 Ru5 C43 -39.7(10) . . . . ? C76 N5 Ru5 C43 144.9(10) . . . . ? C78 N5 Ru5 C44 -69.8(10) . . . . ? C76 N5 Ru5 C44 114.8(10) . . . . ? C78 N5 Ru5 C41 -136.0(13) . . . . ? C76 N5 Ru5 C41 48.6(18) . . . . ? C78 N5 Ru5 Cl6 53.4(8) . . . . ? C76 N5 Ru5 Cl6 -122.0(9) . . . . ? C78 N5 Ru5 Cl5 134.7(9) . . . . ? C76 N5 Ru5 Cl5 -40.7(9) . . . . ? C45 C46 Ru5 N5 48.6(10) . . . . ? C41 C46 Ru5 N5 -179.4(7) . . . . ? C41 C46 Ru5 C45 132.1(12) . . . . ? C45 C46 Ru5 C42 -103.3(10) . . . . ? C41 C46 Ru5 C42 28.8(8) . . . . ? C45 C46 Ru5 C43 -65.1(9) . . . . ? C41 C46 Ru5 C43 66.9(8) . . . . ? C45 C46 Ru5 C44 -28.8(9) . . . . ? C41 C46 Ru5 C44 103.3(8) . . . . ? C45 C46 Ru5 C41 -132.1(12) . . . . ? C45 C46 Ru5 Cl6 -148.8(8) . . . . ? C41 C46 Ru5 Cl6 -16.8(12) . . . . ? C45 C46 Ru5 Cl5 136.9(8) . . . . ? C41 C46 Ru5 Cl5 -91.1(7) . . . . ? C46 C45 Ru5 N5 -141.4(8) . . . . ? C44 C45 Ru5 N5 85.8(8) . . . . ? C44 C45 Ru5 C46 -132.8(13) . . . . ? C46 C45 Ru5 C42 66.0(9) . . . . ? C44 C45 Ru5 C42 -66.7(9) . . . . ? C46 C45 Ru5 C43 103.9(9) . . . . ? C44 C45 Ru5 C43 -28.8(8) . . . . ? C46 C45 Ru5 C44 132.8(13) . . . . ? C46 C45 Ru5 C41 29.2(8) . . . . ? C44 C45 Ru5 C41 -103.6(9) . . . . ? C46 C45 Ru5 Cl6 132.0(11) . . . . ? C44 C45 Ru5 Cl6 -0.8(17) . . . . ? C46 C45 Ru5 Cl5 -50.8(9) . . . . ? C44 C45 Ru5 Cl5 176.4(7) . . . . ? C41 C42 Ru5 N5 -150.7(9) . . . . ? C43 C42 Ru5 N5 -19.5(14) . . . . ? C41 C42 Ru5 C46 -28.7(7) . . . . ? C43 C42 Ru5 C46 102.5(9) . . . . ? C41 C42 Ru5 C45 -66.1(8) . . . . ? C43 C42 Ru5 C45 65.1(9) . . . . ? C41 C42 Ru5 C43 -131.2(12) . . . . ? C41 C42 Ru5 C44 -103.1(8) . . . . ? C43 C42 Ru5 C44 28.2(8) . . . . ? C43 C42 Ru5 C41 131.2(12) . . . . ? C41 C42 Ru5 Cl6 131.5(7) . . . . ? C43 C42 Ru5 Cl6 -97.3(8) . . . . ? C41 C42 Ru5 Cl5 50.8(8) . . . . ? C43 C42 Ru5 Cl5 -178.0(7) . . . . ? C44 C43 Ru5 N5 -56.7(10) . . . . ? C42 C43 Ru5 N5 170.2(7) . . . . ? C44 C43 Ru5 C46 66.5(9) . . . . ? C42 C43 Ru5 C46 -66.6(8) . . . . ? C44 C43 Ru5 C45 29.3(9) . . . . ? C42 C43 Ru5 C45 -103.8(9) . . . . ? C44 C43 Ru5 C42 133.1(13) . . . . ? C42 C43 Ru5 C44 -133.1(13) . . . . ? C44 C43 Ru5 C41 103.6(10) . . . . ? C42 C43 Ru5 C41 -29.5(8) . . . . ? C44 C43 Ru5 Cl6 -141.8(8) . . . . ? C42 C43 Ru5 Cl6 85.2(8) . . . . ? C44 C43 Ru5 Cl5 137.5(9) . . . . ? C42 C43 Ru5 Cl5 4.5(15) . . . . ? C43 C44 Ru5 N5 130.7(9) . . . . ? C45 C44 Ru5 N5 -97.0(8) . . . . ? C50 C44 Ru5 N5 15.5(14) . . . . ? C43 C44 Ru5 C46 -103.2(10) . . . . ? C45 C44 Ru5 C46 29.1(8) . . . . ? C50 C44 Ru5 C46 141.6(15) . . . . ? C43 C44 Ru5 C45 -132.3(13) . . . . ? C50 C44 Ru5 C45 112.5(17) . . . . ? C43 C44 Ru5 C42 -29.4(9) . . . . ? C45 C44 Ru5 C42 102.9(9) . . . . ? C50 C44 Ru5 C42 -144.6(16) . . . . ? C45 C44 Ru5 C43 132.3(13) . . . . ? C50 C44 Ru5 C43 -115.2(18) . . . . ? C43 C44 Ru5 C41 -66.3(9) . . . . ? C45 C44 Ru5 C41 66.0(9) . . . . ? C50 C44 Ru5 C41 178.5(15) . . . . ? C43 C44 Ru5 Cl6 47.4(10) . . . . ? C45 C44 Ru5 Cl6 179.7(7) . . . . ? C50 C44 Ru5 Cl6 -67.8(15) . . . . ? C43 C44 Ru5 Cl5 -139.9(9) . . . . ? C45 C44 Ru5 Cl5 -7.7(14) . . . . ? C50 C44 Ru5 Cl5 104.8(15) . . . . ? C42 C41 Ru5 N5 134.6(13) . . . . ? C46 C41 Ru5 N5 1.6(18) . . . . ? C47 C41 Ru5 N5 -115.7(16) . . . . ? C42 C41 Ru5 C46 132.9(11) . . . . ? C47 C41 Ru5 C46 -117.3(17) . . . . ? C42 C41 Ru5 C45 103.5(9) . . . . ? C46 C41 Ru5 C45 -29.5(8) . . . . ? C47 C41 Ru5 C45 -146.8(16) . . . . ? C46 C41 Ru5 C42 -132.9(11) . . . . ? C47 C41 Ru5 C42 109.7(17) . . . . ? C42 C41 Ru5 C43 30.3(8) . . . . ? C46 C41 Ru5 C43 -102.6(8) . . . . ? C47 C41 Ru5 C43 140.1(15) . . . . ? C42 C41 Ru5 C44 66.6(8) . . . . ? C46 C41 Ru5 C44 -66.3(8) . . . . ? C47 C41 Ru5 C44 176.3(15) . . . . ? C42 C41 Ru5 Cl6 -55.7(8) . . . . ? C46 C41 Ru5 Cl6 171.3(6) . . . . ? C47 C41 Ru5 Cl6 54.0(15) . . . . ? C42 C41 Ru5 Cl5 -136.9(7) . . . . ? C46 C41 Ru5 Cl5 90.2(7) . . . . ? C47 C41 Ru5 Cl5 -27.2(14) . . . . ? Ru6 Cl6 Ru5 N5 94.9(3) . . . . ? Ru6 Cl6 Ru5 C46 -70.6(8) . . . . ? Ru6 Cl6 Ru5 C45 -176.2(12) . . . . ? Ru6 Cl6 Ru5 C42 -112.0(4) . . . . ? Ru6 Cl6 Ru5 C43 -150.4(4) . . . . ? Ru6 Cl6 Ru5 C44 -176.8(4) . . . . ? Ru6 Cl6 Ru5 C41 -81.8(4) . . . . ? Ru6 Cl6 Ru5 Cl5 6.28(12) . . . . ? Ru6 Cl5 Ru5 N5 -89.7(3) . . . . ? Ru6 Cl5 Ru5 C46 146.2(4) . . . . ? Ru6 Cl5 Ru5 C45 174.7(4) . . . . ? Ru6 Cl5 Ru5 C42 80.6(4) . . . . ? Ru6 Cl5 Ru5 C43 77.4(10) . . . . ? Ru6 Cl5 Ru5 C44 180(100) . . . . ? Ru6 Cl5 Ru5 C41 108.7(4) . . . . ? Ru6 Cl5 Ru5 Cl6 -6.26(12) . . . . ? C94 N6 Ru6 C56 -111.5(10) . . . . ? C96 N6 Ru6 C56 64.1(10) . . . . ? C94 N6 Ru6 C55 -73.8(10) . . . . ? C96 N6 Ru6 C55 101.8(10) . . . . ? C94 N6 Ru6 C53 -30.8(15) . . . . ? C96 N6 Ru6 C53 144.8(11) . . . . ? C94 N6 Ru6 C52 -132.8(16) . . . . ? C96 N6 Ru6 C52 43(2) . . . . ? C94 N6 Ru6 C54 -42.6(11) . . . . ? C96 N6 Ru6 C54 133.0(10) . . . . ? C94 N6 Ru6 C51 -137.5(9) . . . . ? C96 N6 Ru6 C51 38.1(11) . . . . ? C94 N6 Ru6 Cl6 133.0(9) . . . . ? C96 N6 Ru6 Cl6 -51.4(9) . . . . ? C94 N6 Ru6 Cl5 51.1(9) . . . . ? C96 N6 Ru6 Cl5 -133.3(9) . . . . ? C51 C56 Ru6 N6 -143.2(8) . . . . ? C55 C56 Ru6 N6 84.4(9) . . . . ? C51 C56 Ru6 C55 132.4(12) . . . . ? C51 C56 Ru6 C53 66.8(8) . . . . ? C55 C56 Ru6 C53 -65.6(8) . . . . ? C51 C56 Ru6 C52 30.2(8) . . . . ? C55 C56 Ru6 C52 -102.2(9) . . . . ? C51 C56 Ru6 C54 104.8(9) . . . . ? C55 C56 Ru6 C54 -27.7(8) . . . . ? C55 C56 Ru6 C51 -132.4(12) . . . . ? C51 C56 Ru6 Cl6 -52.4(9) . . . . ? C55 C56 Ru6 Cl6 175.1(7) . . . . ? C51 C56 Ru6 Cl5 123.7(12) . . . . ? C55 C56 Ru6 Cl5 -8.8(19) . . . . ? C54 C55 Ru6 N6 127.8(8) . . . . ? C56 C55 Ru6 N6 -97.8(9) . . . . ? C54 C55 Ru6 C56 -134.4(12) . . . . ? C54 C55 Ru6 C53 -30.6(8) . . . . ? C56 C55 Ru6 C53 103.8(9) . . . . ? C54 C55 Ru6 C52 -67.1(9) . . . . ? C56 C55 Ru6 C52 67.4(9) . . . . ? C56 C55 Ru6 C54 134.4(12) . . . . ? C54 C55 Ru6 C51 -105.6(9) . . . . ? C56 C55 Ru6 C51 28.9(8) . . . . ? C54 C55 Ru6 Cl6 -144.3(8) . . . . ? C56 C55 Ru6 Cl6 -9.8(14) . . . . ? C54 C55 Ru6 Cl5 42.4(9) . . . . ? C56 C55 Ru6 Cl5 176.8(7) . . . . ? C52 C53 Ru6 N6 -151.5(8) . . . . ? C54 C53 Ru6 N6 -17.7(14) . . . . ? C52 C53 Ru6 C56 -66.8(8) . . . . ? C54 C53 Ru6 C56 67.0(8) . . . . ? C52 C53 Ru6 C55 -104.1(9) . . . . ? C54 C53 Ru6 C55 29.8(8) . . . . ? C54 C53 Ru6 C52 133.9(12) . . . . ? C52 C53 Ru6 C54 -133.9(12) . . . . ? C52 C53 Ru6 C51 -30.1(7) . . . . ? C54 C53 Ru6 C51 103.8(9) . . . . ? C52 C53 Ru6 Cl6 47.3(9) . . . . ? C54 C53 Ru6 Cl6 -178.8(7) . . . . ? C52 C53 Ru6 Cl5 127.6(7) . . . . ? C54 C53 Ru6 Cl5 -98.5(8) . . . . ? C53 C52 Ru6 N6 126.0(16) . . . . ? C51 C52 Ru6 N6 -6.2(19) . . . . ? C53 C52 Ru6 C56 103.1(8) . . . . ? C51 C52 Ru6 C56 -29.0(7) . . . . ? C53 C52 Ru6 C55 65.5(8) . . . . ? C51 C52 Ru6 C55 -66.6(8) . . . . ? C51 C52 Ru6 C53 -132.1(11) . . . . ? C53 C52 Ru6 C54 28.7(8) . . . . ? C51 C52 Ru6 C54 -103.4(8) . . . . ? C53 C52 Ru6 C51 132.1(11) . . . . ? C53 C52 Ru6 Cl6 -140.6(7) . . . . ? C51 C52 Ru6 Cl6 87.3(7) . . . . ? C53 C52 Ru6 Cl5 -58.2(8) . . . . ? C51 C52 Ru6 Cl5 169.6(6) . . . . ? C55 C54 Ru6 N6 -58.8(9) . . . . ? C53 C54 Ru6 N6 170.6(8) . . . . ? C60 C54 Ru6 N6 58.2(14) . . . . ? C55 C54 Ru6 C56 28.2(8) . . . . ? C53 C54 Ru6 C56 -102.4(9) . . . . ? C60 C54 Ru6 C56 145.2(14) . . . . ? C53 C54 Ru6 C55 -130.6(12) . . . . ? C60 C54 Ru6 C55 117.1(16) . . . . ? C55 C54 Ru6 C53 130.6(12) . . . . ? C60 C54 Ru6 C53 -112.3(16) . . . . ? C55 C54 Ru6 C52 102.7(9) . . . . ? C53 C54 Ru6 C52 -27.9(8) . . . . ? C60 C54 Ru6 C52 -140.2(14) . . . . ? C55 C54 Ru6 C51 64.5(8) . . . . ? C53 C54 Ru6 C51 -66.1(9) . . . . ? C60 C54 Ru6 C51 -178.4(14) . . . . ? C55 C54 Ru6 Cl6 133.5(10) . . . . ? C53 C54 Ru6 Cl6 2.8(16) . . . . ? C60 C54 Ru6 Cl6 -109.5(14) . . . . ? C55 C54 Ru6 Cl5 -146.3(8) . . . . ? C53 C54 Ru6 Cl5 83.1(8) . . . . ? C60 C54 Ru6 Cl5 -29.2(13) . . . . ? C56 C51 Ru6 N6 46.0(9) . . . . ? C52 C51 Ru6 N6 177.8(7) . . . . ? C57 C51 Ru6 N6 -70.5(14) . . . . ? C52 C51 Ru6 C56 131.8(11) . . . . ? C57 C51 Ru6 C56 -116.6(17) . . . . ? C56 C51 Ru6 C55 -29.3(8) . . . . ? C52 C51 Ru6 C55 102.5(8) . . . . ? C57 C51 Ru6 C55 -145.9(15) . . . . ? C56 C51 Ru6 C53 -103.0(9) . . . . ? C52 C51 Ru6 C53 28.7(7) . . . . ? C57 C51 Ru6 C53 140.4(14) . . . . ? C56 C51 Ru6 C52 -131.8(11) . . . . ? C57 C51 Ru6 C52 111.7(16) . . . . ? C56 C51 Ru6 C54 -65.5(8) . . . . ? C52 C51 Ru6 C54 66.3(8) . . . . ? C57 C51 Ru6 C54 178.0(14) . . . . ? C56 C51 Ru6 Cl6 134.3(8) . . . . ? C52 C51 Ru6 Cl6 -93.9(7) . . . . ? C57 C51 Ru6 Cl6 17.8(13) . . . . ? C56 C51 Ru6 Cl5 -151.0(7) . . . . ? C52 C51 Ru6 Cl5 -19.2(11) . . . . ? C57 C51 Ru6 Cl5 92.5(15) . . . . ? Ru5 Cl6 Ru6 N6 -92.2(3) . . . . ? Ru5 Cl6 Ru6 C56 172.5(4) . . . . ? Ru5 Cl6 Ru6 C55 179(20) . . . . ? Ru5 Cl6 Ru6 C53 78.5(5) . . . . ? Ru5 Cl6 Ru6 C52 104.9(4) . . . . ? Ru5 Cl6 Ru6 C54 76.4(11) . . . . ? Ru5 Cl6 Ru6 C51 143.8(4) . . . . ? Ru5 Cl6 Ru6 Cl5 -6.32(12) . . . . ? Ru5 Cl5 Ru6 N6 95.2(3) . . . . ? Ru5 Cl5 Ru6 C56 -170.2(14) . . . . ? Ru5 Cl5 Ru6 C55 -176.7(5) . . . . ? Ru5 Cl5 Ru6 C53 -114.5(3) . . . . ? Ru5 Cl5 Ru6 C52 -83.6(4) . . . . ? Ru5 Cl5 Ru6 C54 -152.5(4) . . . . ? Ru5 Cl5 Ru6 C51 -70.8(7) . . . . ? Ru5 Cl5 Ru6 Cl6 6.29(12) . . . . ? O116 S106 C106 F116 -177.1(14) . . . . ? O117 S106 C106 F116 -59.4(16) . . . . ? O118 S106 C106 F116 62.0(16) . . . . ? O116 S106 C106 F117 -56.5(18) . . . . ? O117 S106 C106 F117 61.3(19) . . . . ? O118 S106 C106 F117 -177.3(17) . . . . ? O116 S106 C106 F118 63.6(17) . . . . ? O117 S106 C106 F118 -178.6(15) . . . . ? O118 S106 C106 F118 -57.2(17) . . . . ? O115 S105 C105 F115 -62.2(18) . . . . ? O114 S105 C105 F115 174.1(16) . . . . ? O113 S105 C105 F115 55.3(18) . . . . ? O115 S105 C105 F114 175.6(17) . . . . ? O114 S105 C105 F114 51.9(19) . . . . ? O113 S105 C105 F114 -66.9(19) . . . . ? O115 S105 C105 F113 55(2) . . . . ? O114 S105 C105 F113 -69.1(19) . . . . ? O113 S105 C105 F113 172.1(17) . . . . ? O111 S104 C104 F110 -63(2) . . . . ? O110 S104 C104 F110 -177.2(18) . . . . ? O112 S104 C104 F110 68.3(19) . . . . ? O111 S104 C104 F111 173.2(17) . . . . ? O110 S104 C104 F111 58.6(19) . . . . ? O112 S104 C104 F111 -55.8(18) . . . . ? O111 S104 C104 F112 48.7(17) . . . . ? O110 S104 C104 F112 -65.8(17) . . . . ? O112 S104 C104 F112 179.7(15) . . . . ? O106 S102 C102 F105 -69.9(17) . . . . ? O105 S102 C102 F105 172.7(16) . . . . ? O104 S102 C102 F105 53.4(17) . . . . ? O106 S102 C102 F106 57.2(19) . . . . ? O105 S102 C102 F106 -60.2(19) . . . . ? O104 S102 C102 F106 -179.5(17) . . . . ? O106 S102 C102 F104 174.9(14) . . . . ? O105 S102 C102 F104 57.5(15) . . . . ? O104 S102 C102 F104 -61.8(15) . . . . ? O108 S103 C103 F108 62.4 . . . . ? O109 S103 C103 F108 -177.2 . . . . ? O107 S103 C103 F108 -57.2 . . . . ? O108 S103 C103 F107 -57.9 . . . . ? O109 S103 C103 F107 62.5 . . . . ? O107 S103 C103 F107 -177.5 . . . . ? O108 S103 C103 F109 -177.8 . . . . ? O109 S103 C103 F109 -57.4 . . . . ? O107 S103 C103 F109 62.5 . . . . ? O102 S101 C101 F102 62.4 . . . . ? O103 S101 C101 F102 -177.2 . . . . ? O101 S101 C101 F102 -57.2 . . . . ? O102 S101 C101 F101 -57.9 . . . . ? O103 S101 C101 F101 62.5 . . . . ? O101 S101 C101 F101 -177.5 . . . . ? O102 S101 C101 F103 -177.8 . . . . ? O103 S101 C101 F103 -57.4 . . . . ? O101 S101 C101 F103 62.5 . . . . ? _diffrn_measured_fraction_theta_max 0.965 _diffrn_reflns_theta_full 25.95 _diffrn_measured_fraction_theta_full 0.965 _refine_diff_density_max 3.671 _refine_diff_density_min -12.411 _refine_diff_density_rms 0.283 data_cp4 _database_code_depnum_ccdc_archive 'CCDC 600475' _audit_creation_method SHELXL-97 _chemical_name_systematic ; [Ru6(C6Me6)6(tpt)2Cl6][O3SCF3]6 ; _chemical_name_common (Ru6(C6Me6)6(tpt)2Cl6)(O3SCF3)6 _chemical_melting_point ? _chemical_formula_moiety 'C108H132Cl6N12Ru6, 6(CF3O3S)' _chemical_formula_sum 'C114 H132 Cl6 F18 N12 O18 Ru6 S6' _chemical_formula_weight 3311.80 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' Cl Cl 0.1484 0.1585 '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' Ru Ru -1.2594 0.8363 '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' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M 'P 21/n' _symmetry_space_group_name_Hall '-P 2yn' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 23.8695(14) _cell_length_b 17.2330(8) _cell_length_c 35.282(2) _cell_angle_alpha 90.00 _cell_angle_beta 93.499(7) _cell_angle_gamma 90.00 _cell_volume 14485.9(14) _cell_formula_units_Z 4 _cell_measurement_temperature 203(2) _cell_measurement_reflns_used 8000 _cell_measurement_theta_min 2.0 _cell_measurement_theta_max 25.95 _exptl_crystal_description plate _exptl_crystal_colour orange _exptl_crystal_size_max 0.48 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.519 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 6672 _exptl_absorpt_coefficient_mu 0.890 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; A crystal was mounted at 203K on a Stoe Image Plate Diffraction System (Stoe & Cie, 2000) using MoK\a graphite monochromated radiation. Image plate distance 70mm, \f oscillation scans 0 - 200\%, step \D\f = 0.7\%, 5 minutes per frame. ; _diffrn_ambient_temperature 203(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'STOE IPDS' _diffrn_measurement_method 'phi oscillation' _diffrn_detector_area_resol_mean 0.81\%A _diffrn_standards_number 0 _diffrn_standards_interval_count ? _diffrn_standards_interval_time 0 _diffrn_standards_decay_% 0 _diffrn_reflns_number 81568 _diffrn_reflns_av_R_equivalents 0.0680 _diffrn_reflns_av_sigmaI/netI 0.1253 _diffrn_reflns_limit_h_min -28 _diffrn_reflns_limit_h_max 29 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_l_min -43 _diffrn_reflns_limit_l_max 43 _diffrn_reflns_theta_min 2.00 _diffrn_reflns_theta_max 25.97 _reflns_number_total 28107 _reflns_number_gt 12716 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'EXPOSE (Stoe IPDS Software, 2000)' _computing_cell_refinement 'CELL (Stoe IPDS Software, 2000)' _computing_data_reduction 'INTEGRATE (Stoe IPDS Software, 2000)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'ORTEP-32 (Farrugia, 1997)' _computing_publication_material 'SHELXL-97 (Sheldrick, 1997)' _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^)+(0.1601P)^2^] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 28107 _refine_ls_number_parameters 1225 _refine_ls_number_restraints 38 _refine_ls_R_factor_all 0.1550 _refine_ls_R_factor_gt 0.0866 _refine_ls_wR_factor_ref 0.2701 _refine_ls_wR_factor_gt 0.2393 _refine_ls_goodness_of_fit_ref 0.924 _refine_ls_restrained_S_all 0.923 _refine_ls_shift/su_max 0.004 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group C1 C 0.5948(7) -0.0273(9) 0.2278(3) 0.074(4) Uani 1 1 d . . . C2 C 0.5788(6) -0.0725(7) 0.2585(5) 0.072(4) Uani 1 1 d . . . C3 C 0.6013(8) -0.0574(10) 0.2929(5) 0.100(7) Uani 1 1 d . . . C4 C 0.6418(7) 0.0095(10) 0.2976(4) 0.080(5) Uani 1 1 d . . . C5 C 0.6558(6) 0.0480(8) 0.2670(7) 0.085(5) Uani 1 1 d . . . C6 C 0.6307(8) 0.0305(10) 0.2319(5) 0.083(5) Uani 1 1 d . . . C7 C 0.3817(5) -0.0404(6) 0.3140(3) 0.055(3) Uani 1 1 d . . . C8 C 0.3729(5) 0.0237(7) 0.3393(3) 0.055(3) Uani 1 1 d . . . C9 C 0.3420(5) 0.0889(8) 0.3263(4) 0.069(3) Uani 1 1 d . . . C10 C 0.3246(6) 0.0948(8) 0.2845(5) 0.081(4) Uani 1 1 d . . . C11 C 0.3361(6) 0.0348(9) 0.2609(4) 0.074(4) Uani 1 1 d . . . C12 C 0.3654(5) -0.0346(7) 0.2747(4) 0.065(3) Uani 1 1 d . . . C13 C 0.8094(5) 0.6722(7) 0.4512(4) 0.069(4) Uani 1 1 d . . . C14 C 0.7884(5) 0.6890(7) 0.4877(3) 0.062(3) Uani 1 1 d . . . C15 C 0.7705(5) 0.7656(7) 0.4971(3) 0.058(3) Uani 1 1 d . . . C16 C 0.7683(5) 0.8243(6) 0.4685(3) 0.057(3) Uani 1 1 d . . . C17 C 0.7860(5) 0.8065(7) 0.4313(3) 0.056(3) Uani 1 1 d . . . C18 C 0.8056(6) 0.7340(7) 0.4229(4) 0.066(3) Uani 1 1 d . . . C19 C 0.5279(7) 0.6867(9) 0.5119(4) 0.081(4) Uani 1 1 d . . . C20 C 0.4914(6) 0.6885(8) 0.4803(4) 0.075(4) Uani 1 1 d . . . C21 C 0.4820(6) 0.7562(8) 0.4582(3) 0.067(3) Uani 1 1 d . . . C22 C 0.5124(6) 0.8238(7) 0.4666(3) 0.066(3) Uani 1 1 d . . . C23 C 0.5527(6) 0.8259(8) 0.5006(4) 0.071(4) Uani 1 1 d . . . C24 C 0.5573(6) 0.7587(10) 0.5234(3) 0.077(4) Uani 1 1 d . . . C25 C 0.7012(5) 0.6732(7) 0.0652(3) 0.061(3) Uani 1 1 d . . . C26 C 0.6626(6) 0.6766(7) 0.0327(3) 0.057(3) Uani 1 1 d . . . C27 C 0.6370(5) 0.7478(7) 0.0212(3) 0.054(3) Uani 1 1 d . . . C28 C 0.6454(5) 0.8164(6) 0.0443(3) 0.053(3) Uani 1 1 d . . . C29 C 0.6829(5) 0.8114(6) 0.0777(3) 0.054(3) Uani 1 1 d . . . C30 C 0.7120(5) 0.7435(7) 0.0875(3) 0.058(3) Uani 1 1 d . . . C31 C 0.3788(5) 0.7019(8) 0.1005(3) 0.060(3) Uani 1 1 d . . . C32 C 0.3936(6) 0.6902(8) 0.0631(3) 0.066(3) Uani 1 1 d . . . C33 C 0.4177(5) 0.7500(8) 0.0423(3) 0.058(3) Uani 1 1 d . . . C34 C 0.4308(6) 0.8243(7) 0.0596(3) 0.067(3) Uani 1 1 d . . . C35 C 0.4162(6) 0.8350(7) 0.0991(3) 0.064(3) Uani 1 1 d . . . C36 C 0.3907(5) 0.7753(8) 0.1193(3) 0.063(3) Uani 1 1 d . . . C37 C 0.5681(12) -0.0462(15) 0.1886(5) 0.198(15) Uani 1 1 d . . . H37A H 0.5464 -0.0026 0.1791 0.297 Uiso 1 1 calc R . . H37B H 0.5440 -0.0905 0.1902 0.297 Uiso 1 1 calc R . . H37C H 0.5970 -0.0575 0.1716 0.297 Uiso 1 1 calc R . . C38 C 0.5385(9) -0.1407(10) 0.2540(9) 0.192(14) Uani 1 1 d . . . H38A H 0.5011 -0.1218 0.2481 0.288 Uiso 1 1 calc R . . H38B H 0.5394 -0.1699 0.2772 0.288 Uiso 1 1 calc R . . H38C H 0.5495 -0.1735 0.2337 0.288 Uiso 1 1 calc R . . C39 C 0.5818(9) -0.1048(11) 0.3273(5) 0.23(2) Uani 1 1 d . . . H39A H 0.5416 -0.1039 0.3272 0.351 Uiso 1 1 calc R . . H39B H 0.5975 -0.0822 0.3505 0.351 Uiso 1 1 calc R . . H39C H 0.5945 -0.1575 0.3255 0.351 Uiso 1 1 calc R . . C40 C 0.6622(9) 0.0166(14) 0.3422(5) 0.26(2) Uani 1 1 d . . . H40A H 0.6775 -0.0322 0.3510 0.391 Uiso 1 1 calc R . . H40B H 0.6307 0.0299 0.3566 0.391 Uiso 1 1 calc R . . H40C H 0.6903 0.0562 0.3454 0.391 Uiso 1 1 calc R . . C41 C 0.6972(8) 0.1146(10) 0.2718(11) 0.24(2) Uani 1 1 d . . . H41A H 0.7157 0.1125 0.2967 0.355 Uiso 1 1 calc R . . H41B H 0.6775 0.1629 0.2686 0.355 Uiso 1 1 calc R . . H41C H 0.7246 0.1105 0.2530 0.355 Uiso 1 1 calc R . . C42 C 0.6504(14) 0.0739(16) 0.1972(8) 0.25(2) Uani 1 1 d . . . H42A H 0.6897 0.0648 0.1950 0.370 Uiso 1 1 calc R . . H42B H 0.6439 0.1285 0.2001 0.370 Uiso 1 1 calc R . . H42C H 0.6298 0.0555 0.1747 0.370 Uiso 1 1 calc R . . C43 C 0.4140(7) -0.1075(7) 0.3300(4) 0.083(4) Uani 1 1 d . . . H43A H 0.4085 -0.1513 0.3135 0.124 Uiso 1 1 calc R . . H43B H 0.4012 -0.1200 0.3546 0.124 Uiso 1 1 calc R . . H43C H 0.4531 -0.0945 0.3324 0.124 Uiso 1 1 calc R . . C44 C 0.3984(7) 0.0197(10) 0.3794(3) 0.090(5) Uani 1 1 d . . . H44A H 0.4013 0.0711 0.3898 0.135 Uiso 1 1 calc R . . H44B H 0.4350 -0.0031 0.3794 0.135 Uiso 1 1 calc R . . H44C H 0.3750 -0.0114 0.3946 0.135 Uiso 1 1 calc R . . C45 C 0.3275(7) 0.1501(8) 0.3529(5) 0.095(5) Uani 1 1 d . . . H45A H 0.3610 0.1692 0.3660 0.143 Uiso 1 1 calc R . . H45B H 0.3029 0.1293 0.3709 0.143 Uiso 1 1 calc R . . H45C H 0.3089 0.1917 0.3391 0.143 Uiso 1 1 calc R . . C46 C 0.2900(7) 0.1667(10) 0.2732(6) 0.127(7) Uani 1 1 d . . . H46A H 0.2761 0.1622 0.2472 0.190 Uiso 1 1 calc R . . H46B H 0.3132 0.2121 0.2762 0.190 Uiso 1 1 calc R . . H46C H 0.2590 0.1710 0.2892 0.190 Uiso 1 1 calc R . . C47 C 0.3253(8) 0.0343(12) 0.2175(4) 0.164(11) Uani 1 1 d . . . H47A H 0.3089 -0.0144 0.2096 0.246 Uiso 1 1 calc R . . H47B H 0.3601 0.0414 0.2057 0.246 Uiso 1 1 calc R . . H47C H 0.3001 0.0758 0.2101 0.246 Uiso 1 1 calc R . . C48 C 0.3761(7) -0.0947(9) 0.2462(4) 0.100(6) Uani 1 1 d . . . H48A H 0.4066 -0.1272 0.2556 0.151 Uiso 1 1 calc R . . H48B H 0.3857 -0.0704 0.2230 0.151 Uiso 1 1 calc R . . H48C H 0.3430 -0.1258 0.2416 0.151 Uiso 1 1 calc R . . C49 C 0.8303(6) 0.5941(7) 0.4415(5) 0.091(5) Uani 1 1 d . . . H49A H 0.8638 0.5829 0.4570 0.136 Uiso 1 1 calc R . . H49B H 0.8386 0.5929 0.4152 0.136 Uiso 1 1 calc R . . H49C H 0.8022 0.5560 0.4461 0.136 Uiso 1 1 calc R . . C50 C 0.7889(7) 0.6246(8) 0.5164(4) 0.095(5) Uani 1 1 d . . . H50A H 0.7545 0.6253 0.5291 0.143 Uiso 1 1 calc R . . H50B H 0.8200 0.6317 0.5347 0.143 Uiso 1 1 calc R . . H50C H 0.7927 0.5757 0.5038 0.143 Uiso 1 1 calc R . . C51 C 0.7499(7) 0.7791(9) 0.5355(4) 0.087(5) Uani 1 1 d . . . H51A H 0.7646 0.8273 0.5455 0.131 Uiso 1 1 calc R . . H51B H 0.7622 0.7374 0.5521 0.131 Uiso 1 1 calc R . . H51C H 0.7096 0.7812 0.5338 0.131 Uiso 1 1 calc R . . C52 C 0.7478(6) 0.9045(7) 0.4775(4) 0.074(4) Uani 1 1 d . . . H52A H 0.7363 0.9055 0.5031 0.110 Uiso 1 1 calc R . . H52B H 0.7166 0.9177 0.4603 0.110 Uiso 1 1 calc R . . H52C H 0.7776 0.9412 0.4749 0.110 Uiso 1 1 calc R . . C53 C 0.7792(7) 0.8694(7) 0.4008(4) 0.078(4) Uani 1 1 d . . . H53A H 0.7679 0.8460 0.3769 0.118 Uiso 1 1 calc R . . H53B H 0.8142 0.8960 0.3988 0.118 Uiso 1 1 calc R . . H53C H 0.7510 0.9058 0.4077 0.118 Uiso 1 1 calc R . . C54 C 0.8271(7) 0.7149(9) 0.3835(4) 0.092(5) Uani 1 1 d . . . H54A H 0.8287 0.7616 0.3688 0.138 Uiso 1 1 calc R . . H54B H 0.8020 0.6787 0.3706 0.138 Uiso 1 1 calc R . . H54C H 0.8639 0.6924 0.3866 0.138 Uiso 1 1 calc R . . C55 C 0.5386(10) 0.6164(11) 0.5352(6) 0.142(9) Uani 1 1 d . . . H55A H 0.5524 0.5759 0.5196 0.212 Uiso 1 1 calc R . . H55B H 0.5043 0.5999 0.5456 0.212 Uiso 1 1 calc R . . H55C H 0.5660 0.6278 0.5554 0.212 Uiso 1 1 calc R . . C56 C 0.4597(8) 0.6126(10) 0.4714(7) 0.137(9) Uani 1 1 d . . . H56A H 0.4559 0.6051 0.4444 0.206 Uiso 1 1 calc R . . H56B H 0.4231 0.6152 0.4812 0.206 Uiso 1 1 calc R . . H56C H 0.4802 0.5699 0.4830 0.206 Uiso 1 1 calc R . . C57 C 0.4385(6) 0.7589(12) 0.4248(4) 0.111(6) Uani 1 1 d . . . H57A H 0.4095 0.7951 0.4301 0.166 Uiso 1 1 calc R . . H57B H 0.4224 0.7082 0.4208 0.166 Uiso 1 1 calc R . . H57C H 0.4562 0.7749 0.4023 0.166 Uiso 1 1 calc R . . C58 C 0.5082(7) 0.8952(9) 0.4411(4) 0.098(5) Uani 1 1 d . . . H58A H 0.5440 0.9050 0.4310 0.147 Uiso 1 1 calc R . . H58B H 0.4974 0.9392 0.4557 0.147 Uiso 1 1 calc R . . H58C H 0.4806 0.8863 0.4207 0.147 Uiso 1 1 calc R . . C59 C 0.5822(9) 0.8962(10) 0.5105(6) 0.128(7) Uani 1 1 d . . . H59A H 0.5783 0.9076 0.5368 0.193 Uiso 1 1 calc R . . H59B H 0.5669 0.9381 0.4952 0.193 Uiso 1 1 calc R . . H59C H 0.6212 0.8900 0.5060 0.193 Uiso 1 1 calc R . . C60 C 0.5972(9) 0.7571(14) 0.5574(5) 0.138(9) Uani 1 1 d . . . H60A H 0.5771 0.7456 0.5795 0.208 Uiso 1 1 calc R . . H60B H 0.6151 0.8068 0.5605 0.208 Uiso 1 1 calc R . . H60C H 0.6251 0.7179 0.5542 0.208 Uiso 1 1 calc R . . C61 C 0.7311(7) 0.5988(8) 0.0763(4) 0.080(4) Uani 1 1 d . . . H61A H 0.7444 0.5746 0.0541 0.120 Uiso 1 1 calc R . . H61B H 0.7055 0.5644 0.0879 0.120 Uiso 1 1 calc R . . H61C H 0.7622 0.6099 0.0939 0.120 Uiso 1 1 calc R . . C62 C 0.6469(6) 0.6041(7) 0.0108(4) 0.075(4) Uani 1 1 d . . . H62A H 0.6604 0.5596 0.0249 0.113 Uiso 1 1 calc R . . H62B H 0.6634 0.6054 -0.0133 0.113 Uiso 1 1 calc R . . H62C H 0.6068 0.6012 0.0069 0.113 Uiso 1 1 calc R . . C63 C 0.5972(6) 0.7502(9) -0.0133(3) 0.080(4) Uani 1 1 d . . . H63A H 0.6040 0.7960 -0.0277 0.119 Uiso 1 1 calc R . . H63B H 0.5593 0.7510 -0.0056 0.119 Uiso 1 1 calc R . . H63C H 0.6026 0.7051 -0.0286 0.119 Uiso 1 1 calc R . . C64 C 0.6182(6) 0.8921(7) 0.0338(4) 0.073(4) Uani 1 1 d . . . H64A H 0.5943 0.8857 0.0111 0.110 Uiso 1 1 calc R . . H64B H 0.6466 0.9300 0.0294 0.110 Uiso 1 1 calc R . . H64C H 0.5962 0.9092 0.0541 0.110 Uiso 1 1 calc R . . C65 C 0.6899(6) 0.8821(7) 0.1030(4) 0.075(4) Uani 1 1 d . . . H65A H 0.6913 0.8661 0.1292 0.112 Uiso 1 1 calc R . . H65B H 0.6587 0.9165 0.0981 0.112 Uiso 1 1 calc R . . H65C H 0.7241 0.9084 0.0980 0.112 Uiso 1 1 calc R . . C66 C 0.7552(6) 0.7364(10) 0.1206(4) 0.084(4) Uani 1 1 d . . . H66A H 0.7466 0.6920 0.1356 0.126 Uiso 1 1 calc R . . H66B H 0.7544 0.7824 0.1359 0.126 Uiso 1 1 calc R . . H66C H 0.7918 0.7304 0.1112 0.126 Uiso 1 1 calc R . . C67 C 0.3487(6) 0.6373(9) 0.1211(4) 0.093(5) Uani 1 1 d . . . H67A H 0.3213 0.6133 0.1038 0.139 Uiso 1 1 calc R . . H67B H 0.3304 0.6590 0.1421 0.139 Uiso 1 1 calc R . . H67C H 0.3755 0.5992 0.1302 0.139 Uiso 1 1 calc R . . C68 C 0.3845(6) 0.6109(8) 0.0442(4) 0.082(4) Uani 1 1 d . . . H68A H 0.3515 0.6126 0.0273 0.123 Uiso 1 1 calc R . . H68B H 0.3797 0.5723 0.0634 0.123 Uiso 1 1 calc R . . H68C H 0.4164 0.5980 0.0302 0.123 Uiso 1 1 calc R . . C69 C 0.4337(6) 0.7381(10) 0.0024(3) 0.089(5) Uani 1 1 d . . . H69A H 0.4164 0.6915 -0.0076 0.134 Uiso 1 1 calc R . . H69B H 0.4737 0.7336 0.0021 0.134 Uiso 1 1 calc R . . H69C H 0.4211 0.7815 -0.0129 0.134 Uiso 1 1 calc R . . C70 C 0.4599(7) 0.8876(9) 0.0396(5) 0.101(5) Uani 1 1 d . . . H70A H 0.4681 0.8703 0.0147 0.151 Uiso 1 1 calc R . . H70B H 0.4942 0.9008 0.0537 0.151 Uiso 1 1 calc R . . H70C H 0.4360 0.9324 0.0375 0.151 Uiso 1 1 calc R . . C71 C 0.4307(7) 0.9096(8) 0.1176(5) 0.093(5) Uani 1 1 d . . . H71A H 0.3977 0.9413 0.1181 0.140 Uiso 1 1 calc R . . H71B H 0.4584 0.9357 0.1038 0.140 Uiso 1 1 calc R . . H71C H 0.4453 0.9002 0.1432 0.140 Uiso 1 1 calc R . . C72 C 0.3715(8) 0.7848(10) 0.1593(4) 0.101(6) Uani 1 1 d . . . H72A H 0.3805 0.7388 0.1737 0.151 Uiso 1 1 calc R . . H72B H 0.3317 0.7932 0.1582 0.151 Uiso 1 1 calc R . . H72C H 0.3903 0.8285 0.1712 0.151 Uiso 1 1 calc R . . C73 C 0.5658(4) 0.2151(5) 0.2384(3) 0.041(2) Uani 1 1 d . . . H73 H 0.5528 0.1901 0.2162 0.050 Uiso 1 1 calc R . . C74 C 0.5804(5) 0.2926(5) 0.2365(3) 0.046(3) Uani 1 1 d . . . H74 H 0.5763 0.3191 0.2135 0.056 Uiso 1 1 calc R . . C75 C 0.6014(4) 0.3310(5) 0.2696(2) 0.035(2) Uani 1 1 d . . . C76 C 0.6033(4) 0.2899(5) 0.3028(3) 0.039(2) Uani 1 1 d . . . H76 H 0.6156 0.3136 0.3255 0.047 Uiso 1 1 calc R . . C77 C 0.5869(4) 0.2128(5) 0.3026(2) 0.037(2) Uani 1 1 d . . . H77 H 0.5877 0.1863 0.3256 0.045 Uiso 1 1 calc R . . C78 C 0.6198(4) 0.4129(5) 0.2685(2) 0.036(2) Uani 1 1 d . . . C79 C 0.6543(4) 0.5188(5) 0.2984(3) 0.041(2) Uani 1 1 d . . . C80 C 0.6383(4) 0.5202(5) 0.2347(3) 0.036(2) Uani 1 1 d . . . C81 C 0.6717(4) 0.5630(5) 0.3330(3) 0.039(2) Uani 1 1 d . . . C82 C 0.6833(5) 0.5275(6) 0.3680(3) 0.047(3) Uani 1 1 d . . . H82 H 0.6823 0.4737 0.3701 0.056 Uiso 1 1 calc R . . C83 C 0.6962(4) 0.5723(5) 0.3994(3) 0.046(2) Uani 1 1 d . . . H83 H 0.7038 0.5477 0.4226 0.055 Uiso 1 1 calc R . . C84 C 0.6888(5) 0.6839(6) 0.3634(3) 0.053(3) Uani 1 1 d . . . H84 H 0.6921 0.7376 0.3617 0.064 Uiso 1 1 calc R . . C85 C 0.6749(5) 0.6437(5) 0.3314(3) 0.049(3) Uani 1 1 d . . . H85 H 0.6674 0.6696 0.3085 0.058 Uiso 1 1 calc R . . C86 C 0.6370(5) 0.5650(5) 0.1981(3) 0.043(2) Uani 1 1 d . . . C87 C 0.6447(5) 0.6440(5) 0.1990(3) 0.049(3) Uani 1 1 d . . . H87 H 0.6536 0.6694 0.2218 0.058 Uiso 1 1 calc R . . C88 C 0.6390(5) 0.6843(6) 0.1658(3) 0.052(3) Uani 1 1 d . . . H88 H 0.6440 0.7378 0.1667 0.063 Uiso 1 1 calc R . . C89 C 0.6258(5) 0.5297(6) 0.1635(3) 0.046(3) Uani 1 1 d . . . H89 H 0.6216 0.4762 0.1618 0.055 Uiso 1 1 calc R . . C90 C 0.6210(5) 0.5749(6) 0.1315(3) 0.046(2) Uani 1 1 d . . . H90 H 0.6136 0.5508 0.1081 0.055 Uiso 1 1 calc R . . C91 C 0.4231(5) 0.2304(6) 0.2564(3) 0.052(3) Uani 1 1 d . . . H91 H 0.4090 0.2045 0.2347 0.062 Uiso 1 1 calc R . . C92 C 0.4347(5) 0.3096(6) 0.2542(3) 0.046(2) Uani 1 1 d . . . H92 H 0.4276 0.3363 0.2316 0.055 Uiso 1 1 calc R . . C93 C 0.4569(5) 0.3475(6) 0.2861(3) 0.045(2) Uani 1 1 d . . . C94 C 0.4638(5) 0.3062(6) 0.3198(3) 0.046(3) Uani 1 1 d . . . H94 H 0.4776 0.3312 0.3418 0.055 Uiso 1 1 calc R . . C95 C 0.4505(5) 0.2302(5) 0.3209(3) 0.046(3) Uani 1 1 d . . . H95 H 0.4543 0.2042 0.3440 0.056 Uiso 1 1 calc R . . C96 C 0.4755(4) 0.4300(6) 0.2841(3) 0.044(2) Uani 1 1 d . . . C97 C 0.5107(4) 0.5356(5) 0.3129(3) 0.040(2) Uani 1 1 d . . . C98 C 0.4938(4) 0.5351(6) 0.2496(3) 0.043(2) Uani 1 1 d . . . C99 C 0.5296(4) 0.5797(6) 0.3478(3) 0.044(2) Uani 1 1 d . . . C100 C 0.5448(4) 0.5413(6) 0.3814(3) 0.045(2) Uani 1 1 d . . . H100 H 0.5440 0.4874 0.3825 0.054 Uiso 1 1 calc R . . C101 C 0.5613(4) 0.5842(6) 0.4131(3) 0.050(3) Uani 1 1 d . . . H101 H 0.5718 0.5582 0.4355 0.060 Uiso 1 1 calc R . . C102 C 0.5307(5) 0.6589(6) 0.3475(3) 0.049(3) Uani 1 1 d . . . H102 H 0.5203 0.6862 0.3255 0.059 Uiso 1 1 calc R . . C103 C 0.5475(5) 0.6976(6) 0.3802(3) 0.050(3) Uani 1 1 d . . . H103 H 0.5484 0.7515 0.3797 0.059 Uiso 1 1 calc R . . C104 C 0.4920(4) 0.5779(6) 0.2131(3) 0.043(2) Uani 1 1 d . . . C105 C 0.4812(5) 0.5404(6) 0.1786(3) 0.051(3) Uani 1 1 d . . . H105 H 0.4758 0.4870 0.1774 0.061 Uiso 1 1 calc R . . C106 C 0.4785(5) 0.5852(6) 0.1461(3) 0.052(3) Uani 1 1 d . . . H106 H 0.4711 0.5606 0.1228 0.063 Uiso 1 1 calc R . . C107 C 0.5009(5) 0.6576(7) 0.2128(3) 0.058(3) Uani 1 1 d . . . H107 H 0.5091 0.6843 0.2354 0.070 Uiso 1 1 calc R . . C108 C 0.4975(5) 0.6959(6) 0.1794(3) 0.052(3) Uani 1 1 d . . . H108 H 0.5035 0.7492 0.1796 0.063 Uiso 1 1 calc R . . N1 N 0.5699(3) 0.1745(4) 0.2710(2) 0.0375(18) Uani 1 1 d . . . N2 N 0.4317(3) 0.1900(5) 0.2894(2) 0.0425(19) Uani 1 1 d . . . N3 N 0.6984(4) 0.6499(5) 0.3983(2) 0.045(2) Uani 1 1 d . . . N4 N 0.5627(4) 0.6608(5) 0.4129(2) 0.043(2) Uani 1 1 d . . . N5 N 0.6266(4) 0.6516(5) 0.1323(2) 0.046(2) Uani 1 1 d . . . N6 N 0.4861(4) 0.6612(5) 0.1463(2) 0.047(2) Uani 1 1 d . . . N7 N 0.6581(3) 0.5588(4) 0.2654(2) 0.0379(18) Uani 1 1 d . . . N8 N 0.6373(3) 0.4467(4) 0.3013(2) 0.0380(18) Uani 1 1 d . . . N9 N 0.6188(4) 0.4480(4) 0.2338(2) 0.0395(19) Uani 1 1 d . . . N10 N 0.5147(4) 0.5739(5) 0.2804(2) 0.045(2) Uani 1 1 d . . . N11 N 0.4739(4) 0.4621(4) 0.2500(2) 0.045(2) Uani 1 1 d . . . N12 N 0.4915(4) 0.4650(5) 0.3167(2) 0.044(2) Uani 1 1 d . . . Cl1 Cl 0.47232(11) 0.06168(14) 0.23617(6) 0.0448(6) Uani 1 1 d . . . Cl2 Cl 0.50551(11) 0.05855(14) 0.32370(6) 0.0443(6) Uani 1 1 d . . . Cl3 Cl 0.65480(12) 0.65061(14) 0.48045(7) 0.0498(6) Uani 1 1 d . . . Cl4 Cl 0.64119(12) 0.80208(14) 0.42946(7) 0.0491(6) Uani 1 1 d . . . Cl5 Cl 0.55406(12) 0.80178(14) 0.11300(7) 0.0470(6) Uani 1 1 d . . . Cl6 Cl 0.53414(12) 0.64872(14) 0.06484(6) 0.0469(6) Uani 1 1 d . . . Ru1 Ru 0.56467(4) 0.05138(4) 0.27049(2) 0.03575(19) Uani 1 1 d . . . Ru2 Ru 0.41415(4) 0.07240(5) 0.29101(2) 0.0431(2) Uani 1 1 d . . . Ru3 Ru 0.72330(4) 0.72034(5) 0.44519(2) 0.0473(2) Uani 1 1 d . . . Ru4 Ru 0.57192(4) 0.72717(5) 0.46292(2) 0.0483(2) Uani 1 1 d . . . Ru5 Ru 0.62124(4) 0.71898(4) 0.08219(2) 0.0417(2) Uani 1 1 d . . . Ru6 Ru 0.46748(4) 0.72923(5) 0.09693(2) 0.0469(2) Uani 1 1 d . . . S101 S 0.3794 0.6775 0.2752 0.097 Uani 1 1 d . . . O101 O 0.4317 0.7179 0.2836 0.139 Uani 1 1 d . . . O102 O 0.3343 0.7215 0.2564 0.139 Uani 1 1 d . . . O103 O 0.3854 0.6011 0.2594 0.139 Uani 1 1 d . . . C111 C 0.3563 0.6595 0.3204 0.162 Uani 1 1 d . . . F101 F 0.3906 0.6166 0.3446 0.203 Uani 1 1 d . . . F102 F 0.3477 0.7288 0.3376 0.203 Uani 1 1 d . . . F103 F 0.3074 0.6175 0.3190 0.203 Uani 1 1 d . . . S102 S 0.6866 0.4330 0.4872 0.097 Uani 1 1 d . . . O104 O 0.6330 0.4352 0.4658 0.139 Uani 1 1 d . . . O105 O 0.7349 0.4583 0.4677 0.139 Uani 1 1 d . . . O106 O 0.6858 0.4631 0.5252 0.139 Uani 1 1 d . . . C112 C 0.6974 0.3335 0.4940 0.162 Uani 1 1 d . . . F104 F 0.6582 0.2939 0.5128 0.203 Uani 1 1 d . . . F105 F 0.7005 0.2996 0.4594 0.203 Uani 1 1 d . . . F106 F 0.7459 0.3185 0.5156 0.203 Uani 1 1 d . . . S103 S 0.9891 0.6059 0.4165 0.097 Uani 1 1 d . . . O107 O 0.9568 0.5425 0.3997 0.139 Uani 1 1 d . . . O108 O 0.9581 0.6714 0.4298 0.139 Uani 1 1 d . . . O109 O 1.0345 0.5824 0.4429 0.139 Uani 1 1 d . . . C113 C 1.0234 0.6423 0.3779 0.162 Uani 1 1 d . . . F107 F 1.0575 0.5926 0.3599 0.203 Uani 1 1 d . . . F108 F 0.9839 0.6683 0.3515 0.203 Uani 1 1 d . . . F109 F 1.0591 0.7020 0.3883 0.203 Uani 1 1 d . . . S104 S 0.5647 0.1278 0.4143 0.097 Uani 1 1 d . . . O110 O 0.5967 0.1800 0.3920 0.139 Uani 1 1 d . . . O111 O 0.5057 0.1448 0.4165 0.139 Uani 1 1 d . . . O112 O 0.5756 0.0467 0.4081 0.139 Uani 1 1 d . . . C114 C 0.5935 0.1442 0.4604 0.162 Uani 1 1 d . . . F110 F 0.6495 0.1308 0.4670 0.203 Uani 1 1 d . . . F111 F 0.5840 0.2195 0.4695 0.203 Uani 1 1 d . . . F112 F 0.5703 0.0968 0.4864 0.203 Uani 1 1 d . . . S105 S 0.7707 0.3501 0.2694 0.097 Uani 1 1 d . . . O113 O 0.7306 0.3065 0.2899 0.139 Uani 1 1 d . . . O114 O 0.7619 0.4329 0.2663 0.139 Uani 1 1 d . . . O115 O 0.8284 0.3296 0.2785 0.139 Uani 1 1 d . . . C115 C 0.7582 0.3161 0.2229 0.162 Uani 1 1 d . . . F113 F 0.7647 0.2386 0.2170 0.203 Uani 1 1 d . . . F114 F 0.7046 0.3347 0.2110 0.203 Uani 1 1 d . . . F115 F 0.7944 0.3482 0.1986 0.203 Uani 1 1 d . . . S106 S 0.2532 -0.0277 0.4190 0.097 Uani 1 1 d . . . O116 O 0.1953 -0.0306 0.4288 0.139 Uani 1 1 d . . . O117 O 0.2635 -0.0357 0.3793 0.139 Uani 1 1 d . . . O118 O 0.2858 0.0333 0.4375 0.139 Uani 1 1 d . . . C116 C 0.2812 -0.1123 0.4399 0.162 Uani 1 1 d . . . F116 F 0.2784 -0.1199 0.4782 0.203 Uani 1 1 d . . . F117 F 0.2540 -0.1742 0.4234 0.203 Uani 1 1 d . . . F118 F 0.3376 -0.1191 0.4353 0.203 Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.083(11) 0.086(10) 0.052(7) -0.025(7) -0.002(7) 0.030(9) C2 0.045(8) 0.043(7) 0.129(13) -0.028(8) 0.009(8) 0.001(6) C3 0.105(14) 0.086(11) 0.117(12) 0.070(10) 0.063(11) 0.079(11) C4 0.059(9) 0.095(11) 0.081(9) -0.043(8) -0.030(8) 0.037(9) C5 0.031(8) 0.044(7) 0.182(18) -0.012(9) 0.024(10) -0.005(6) C6 0.081(12) 0.083(11) 0.089(10) 0.035(9) 0.040(9) 0.022(9) C7 0.050(7) 0.046(6) 0.070(7) 0.009(5) 0.013(6) -0.007(5) C8 0.045(7) 0.066(7) 0.056(6) -0.002(5) 0.004(5) -0.012(6) C9 0.040(7) 0.062(8) 0.105(10) -0.004(7) 0.013(7) -0.014(6) C10 0.042(8) 0.061(8) 0.138(13) 0.012(8) -0.017(8) -0.007(7) C11 0.059(9) 0.090(10) 0.068(8) 0.010(7) -0.026(6) -0.032(8) C12 0.049(8) 0.062(8) 0.084(8) -0.014(6) 0.002(6) -0.017(6) C13 0.044(8) 0.054(7) 0.107(10) -0.004(7) -0.011(7) -0.014(6) C14 0.056(8) 0.056(7) 0.071(8) -0.001(6) -0.022(6) -0.013(6) C15 0.056(8) 0.056(7) 0.060(7) 0.005(5) -0.024(6) -0.017(6) C16 0.057(8) 0.036(6) 0.078(8) -0.019(5) -0.006(6) -0.018(5) C17 0.050(7) 0.059(7) 0.058(6) -0.003(5) -0.013(5) -0.010(6) C18 0.061(9) 0.050(7) 0.088(9) -0.018(6) 0.005(7) -0.004(6) C19 0.101(12) 0.077(10) 0.068(8) 0.033(7) 0.027(8) 0.030(9) C20 0.072(10) 0.069(9) 0.087(9) 0.007(7) 0.029(8) 0.005(7) C21 0.062(9) 0.075(9) 0.064(7) -0.005(6) -0.001(6) 0.022(7) C22 0.078(10) 0.058(7) 0.062(7) 0.002(6) -0.003(6) 0.025(7) C23 0.064(9) 0.075(9) 0.076(8) -0.040(7) 0.018(7) 0.012(7) C24 0.088(11) 0.107(11) 0.036(6) 0.004(6) 0.010(6) 0.054(9) C25 0.057(8) 0.062(7) 0.063(7) 0.011(6) 0.004(6) -0.007(6) C26 0.072(9) 0.051(6) 0.051(6) -0.008(5) 0.017(6) -0.008(6) C27 0.066(8) 0.062(7) 0.037(5) 0.007(5) 0.015(5) -0.008(6) C28 0.059(8) 0.035(5) 0.065(7) 0.017(5) 0.009(6) -0.013(5) C29 0.076(9) 0.042(6) 0.044(5) -0.001(4) 0.004(5) -0.015(6) C30 0.056(8) 0.058(7) 0.061(7) 0.005(5) 0.007(6) -0.018(6) C31 0.038(7) 0.081(8) 0.059(7) 0.005(6) -0.007(5) -0.006(6) C32 0.061(9) 0.078(9) 0.059(7) -0.005(6) -0.003(6) 0.003(7) C33 0.047(7) 0.075(8) 0.052(6) 0.006(6) 0.001(5) 0.015(6) C34 0.071(9) 0.064(8) 0.066(7) 0.021(6) -0.001(6) 0.020(7) C35 0.072(9) 0.056(7) 0.066(7) 0.003(6) 0.004(6) 0.012(7) C36 0.046(8) 0.076(8) 0.066(7) -0.014(6) 0.010(6) 0.006(6) C37 0.25(3) 0.23(3) 0.104(14) -0.083(16) -0.092(17) 0.14(3) C38 0.095(16) 0.064(11) 0.42(4) -0.099(18) 0.05(2) -0.025(11) C39 0.28(3) 0.19(2) 0.26(3) 0.18(2) 0.21(3) 0.16(2) C40 0.26(3) 0.37(4) 0.131(17) -0.16(2) -0.13(2) 0.25(3) C41 0.055(13) 0.066(12) 0.59(6) -0.08(2) 0.02(2) -0.032(10) C42 0.31(4) 0.21(3) 0.24(3) 0.18(2) 0.21(3) 0.17(3) C43 0.104(13) 0.041(7) 0.104(10) 0.016(7) 0.018(9) -0.016(7) C44 0.088(11) 0.132(13) 0.051(7) -0.001(8) 0.005(7) -0.038(10) C45 0.096(13) 0.065(9) 0.129(13) -0.020(9) 0.042(10) -0.015(9) C46 0.068(12) 0.107(13) 0.20(2) 0.059(14) -0.040(12) 0.007(10) C47 0.112(16) 0.26(3) 0.111(14) 0.065(16) -0.077(13) -0.062(18) C48 0.109(13) 0.104(12) 0.092(10) -0.050(9) 0.025(9) -0.058(10) C49 0.055(9) 0.057(8) 0.159(14) -0.023(9) -0.001(9) 0.008(7) C50 0.091(12) 0.066(9) 0.123(12) 0.034(8) -0.040(10) -0.005(8) C51 0.079(11) 0.101(11) 0.078(9) -0.015(8) -0.015(8) -0.024(9) C52 0.085(11) 0.050(7) 0.085(9) -0.005(6) -0.001(7) -0.012(7) C53 0.104(12) 0.055(8) 0.075(8) 0.006(6) -0.007(8) -0.021(8) C54 0.078(11) 0.098(11) 0.102(11) -0.014(9) 0.015(9) 0.020(9) C55 0.18(2) 0.110(14) 0.141(16) 0.070(13) 0.062(15) 0.051(14) C56 0.098(15) 0.088(12) 0.23(2) -0.056(14) 0.090(15) -0.030(11) C57 0.075(11) 0.188(19) 0.067(8) 0.005(10) -0.015(8) 0.033(12) C58 0.113(14) 0.085(11) 0.099(11) 0.029(9) 0.029(10) 0.035(10) C59 0.137(18) 0.101(13) 0.153(17) -0.056(12) 0.058(14) -0.014(12) C60 0.136(18) 0.19(2) 0.081(11) -0.017(12) -0.022(11) 0.077(17) C61 0.098(12) 0.070(9) 0.074(8) 0.014(7) 0.023(8) 0.026(8) C62 0.094(11) 0.059(8) 0.075(8) -0.028(6) 0.026(7) 0.000(7) C63 0.093(11) 0.102(10) 0.044(6) 0.015(6) 0.002(6) -0.012(9) C64 0.087(11) 0.052(7) 0.080(8) 0.018(6) -0.003(7) 0.004(7) C65 0.103(12) 0.040(6) 0.080(8) -0.006(6) -0.008(8) -0.022(7) C66 0.056(9) 0.120(13) 0.076(9) 0.011(8) 0.000(7) 0.000(9) C67 0.068(10) 0.112(13) 0.098(10) 0.022(9) 0.000(8) -0.016(9) C68 0.074(10) 0.088(10) 0.082(9) -0.019(8) -0.018(7) 0.009(8) C69 0.095(12) 0.127(13) 0.043(6) 0.003(7) -0.014(7) 0.024(10) C70 0.090(12) 0.094(11) 0.120(12) 0.052(10) 0.016(10) 0.016(10) C71 0.104(13) 0.053(8) 0.123(12) -0.020(8) 0.004(10) 0.015(8) C72 0.136(16) 0.115(13) 0.052(7) -0.008(8) 0.011(8) 0.036(11) C73 0.046(7) 0.033(5) 0.045(5) -0.004(4) 0.000(4) -0.016(5) C74 0.060(7) 0.028(5) 0.049(5) 0.006(4) -0.013(5) -0.009(5) C75 0.035(6) 0.033(5) 0.038(5) -0.003(4) 0.010(4) -0.006(4) C76 0.044(6) 0.031(5) 0.043(5) -0.003(4) 0.001(4) -0.004(4) C77 0.043(6) 0.034(5) 0.035(4) 0.003(4) 0.003(4) 0.001(4) C78 0.033(6) 0.035(5) 0.041(5) 0.000(4) 0.003(4) 0.005(4) C79 0.031(6) 0.035(5) 0.058(6) -0.002(4) 0.001(4) 0.000(4) C80 0.032(6) 0.032(5) 0.044(5) 0.002(4) 0.002(4) 0.002(4) C81 0.045(6) 0.029(5) 0.044(5) -0.001(4) 0.001(4) -0.006(4) C82 0.052(7) 0.034(5) 0.054(6) 0.005(4) 0.000(5) -0.005(5) C83 0.054(7) 0.033(5) 0.050(5) 0.000(4) -0.004(5) -0.001(5) C84 0.077(9) 0.030(5) 0.051(6) 0.002(4) -0.009(5) -0.010(5) C85 0.077(9) 0.026(5) 0.041(5) -0.002(4) -0.003(5) -0.001(5) C86 0.053(7) 0.032(5) 0.044(5) 0.001(4) 0.002(5) -0.004(5) C87 0.072(8) 0.027(5) 0.046(5) 0.004(4) -0.003(5) -0.011(5) C88 0.079(9) 0.035(5) 0.041(5) 0.005(4) -0.011(5) -0.005(5) C89 0.063(8) 0.030(5) 0.045(5) 0.002(4) -0.001(5) -0.006(5) C90 0.053(7) 0.035(5) 0.048(5) -0.008(4) 0.001(5) -0.008(5) C91 0.059(8) 0.043(6) 0.052(6) 0.000(5) -0.009(5) 0.002(5) C92 0.049(7) 0.036(5) 0.050(6) -0.002(4) -0.002(5) -0.004(5) C93 0.047(7) 0.036(5) 0.052(6) 0.007(4) 0.004(5) -0.008(5) C94 0.054(7) 0.036(5) 0.048(5) 0.003(4) 0.005(5) 0.008(5) C95 0.064(8) 0.038(5) 0.036(5) 0.005(4) -0.003(5) -0.011(5) C96 0.037(6) 0.047(6) 0.050(6) -0.002(4) 0.004(5) -0.002(5) C97 0.033(6) 0.040(5) 0.047(5) 0.000(4) -0.002(4) 0.001(4) C98 0.044(7) 0.039(5) 0.047(5) -0.001(4) 0.004(5) -0.003(5) C99 0.043(7) 0.040(5) 0.047(5) 0.000(4) -0.005(5) -0.009(5) C100 0.041(6) 0.044(6) 0.050(5) 0.002(4) -0.010(5) -0.003(5) C101 0.063(8) 0.040(6) 0.044(5) 0.010(4) -0.014(5) 0.000(5) C102 0.061(8) 0.036(5) 0.049(6) 0.004(4) -0.007(5) -0.007(5) C103 0.064(8) 0.038(5) 0.045(5) -0.003(4) -0.004(5) -0.003(5) C104 0.042(6) 0.047(6) 0.040(5) 0.008(4) 0.000(4) -0.009(5) C105 0.061(8) 0.040(6) 0.050(6) 0.001(4) -0.002(5) -0.003(5) C106 0.066(8) 0.046(6) 0.045(5) -0.005(4) -0.001(5) -0.015(6) C107 0.082(9) 0.052(7) 0.041(5) -0.006(5) 0.007(5) -0.019(6) C108 0.079(9) 0.037(5) 0.042(5) -0.004(4) 0.001(5) -0.007(5) N1 0.034(5) 0.032(4) 0.046(4) 0.000(3) -0.003(3) 0.000(4) N2 0.032(5) 0.045(5) 0.050(5) 0.011(4) -0.002(4) 0.003(4) N3 0.050(6) 0.037(4) 0.047(4) -0.001(3) 0.006(4) -0.002(4) N4 0.043(5) 0.039(5) 0.048(4) 0.006(4) -0.001(4) -0.001(4) N5 0.053(6) 0.038(5) 0.048(5) -0.006(4) 0.004(4) -0.002(4) N6 0.047(6) 0.048(5) 0.046(4) 0.000(4) 0.007(4) -0.009(4) N7 0.039(5) 0.032(4) 0.043(4) 0.001(3) 0.006(4) -0.002(4) N8 0.033(5) 0.035(4) 0.046(4) -0.004(3) -0.002(3) -0.001(4) N9 0.047(5) 0.030(4) 0.040(4) 0.007(3) -0.003(4) -0.007(4) N10 0.045(5) 0.043(5) 0.045(4) 0.003(4) -0.003(4) -0.003(4) N11 0.052(6) 0.034(4) 0.048(5) -0.001(3) 0.007(4) -0.002(4) N12 0.053(6) 0.038(5) 0.041(4) 0.008(3) -0.007(4) -0.009(4) Cl1 0.0480(16) 0.0440(13) 0.0415(12) 0.0002(10) -0.0051(11) -0.0039(12) Cl2 0.0425(15) 0.0437(13) 0.0463(12) 0.0026(10) 0.0004(11) -0.0033(11) Cl3 0.0571(18) 0.0423(13) 0.0487(13) 0.0022(10) -0.0082(12) 0.0012(12) Cl4 0.0557(18) 0.0373(12) 0.0531(13) -0.0008(10) -0.0067(12) 0.0006(12) Cl5 0.0567(18) 0.0390(12) 0.0454(12) -0.0016(10) 0.0028(11) 0.0006(12) Cl6 0.0517(17) 0.0460(14) 0.0428(12) -0.0032(10) 0.0018(11) -0.0007(12) Ru1 0.0400(5) 0.0275(4) 0.0395(4) 0.0000(3) 0.0003(3) -0.0039(3) Ru2 0.0409(5) 0.0384(4) 0.0490(4) 0.0017(3) -0.0055(4) -0.0063(4) Ru3 0.0521(6) 0.0343(4) 0.0540(5) -0.0052(3) -0.0086(4) -0.0031(4) Ru4 0.0553(6) 0.0446(5) 0.0443(4) 0.0006(4) -0.0028(4) 0.0045(4) Ru5 0.0510(6) 0.0340(4) 0.0401(4) 0.0033(3) 0.0028(4) -0.0029(4) Ru6 0.0520(6) 0.0485(5) 0.0403(4) 0.0008(3) 0.0026(4) 0.0026(4) S101 0.084 0.095 0.113 0.003 0.009 0.002 O101 0.114 0.150 0.153 -0.004 0.015 -0.010 O102 0.114 0.150 0.153 -0.004 0.015 -0.010 O103 0.114 0.150 0.153 -0.004 0.015 -0.010 C111 0.075 0.212 0.200 0.026 0.024 -0.024 F101 0.189 0.214 0.211 0.020 0.056 0.007 F102 0.189 0.214 0.211 0.020 0.056 0.007 F103 0.189 0.214 0.211 0.020 0.056 0.007 S102 0.084 0.095 0.113 0.003 0.009 0.002 O104 0.114 0.150 0.153 -0.004 0.015 -0.010 O105 0.114 0.150 0.153 -0.004 0.015 -0.010 O106 0.114 0.150 0.153 -0.004 0.015 -0.010 C112 0.075 0.212 0.200 0.026 0.024 -0.024 F104 0.189 0.214 0.211 0.020 0.056 0.007 F105 0.189 0.214 0.211 0.020 0.056 0.007 F106 0.189 0.214 0.211 0.020 0.056 0.007 S103 0.084 0.095 0.113 0.003 0.009 0.002 O107 0.114 0.150 0.153 -0.004 0.015 -0.010 O108 0.114 0.150 0.153 -0.004 0.015 -0.010 O109 0.114 0.150 0.153 -0.004 0.015 -0.010 C113 0.075 0.212 0.200 0.026 0.024 -0.024 F107 0.189 0.214 0.211 0.020 0.056 0.007 F108 0.189 0.214 0.211 0.020 0.056 0.007 F109 0.189 0.214 0.211 0.020 0.056 0.007 S104 0.084 0.095 0.113 0.003 0.009 0.002 O110 0.114 0.150 0.153 -0.004 0.015 -0.010 O111 0.114 0.150 0.153 -0.004 0.015 -0.010 O112 0.114 0.150 0.153 -0.004 0.015 -0.010 C114 0.075 0.212 0.200 0.026 0.024 -0.024 F110 0.189 0.214 0.211 0.020 0.056 0.007 F111 0.189 0.214 0.211 0.020 0.056 0.007 F112 0.189 0.214 0.211 0.020 0.056 0.007 S105 0.084 0.095 0.113 0.003 0.009 0.002 O113 0.114 0.150 0.153 -0.004 0.015 -0.010 O114 0.114 0.150 0.153 -0.004 0.015 -0.010 O115 0.114 0.150 0.153 -0.004 0.015 -0.010 C115 0.075 0.212 0.200 0.026 0.024 -0.024 F113 0.189 0.214 0.211 0.020 0.056 0.007 F114 0.189 0.214 0.211 0.020 0.056 0.007 F115 0.189 0.214 0.211 0.020 0.056 0.007 S106 0.084 0.095 0.113 0.003 0.009 0.002 O116 0.114 0.150 0.153 -0.004 0.015 -0.010 O117 0.114 0.150 0.153 -0.004 0.015 -0.010 O118 0.114 0.150 0.153 -0.004 0.015 -0.010 C116 0.075 0.212 0.200 0.026 0.024 -0.024 F116 0.189 0.214 0.211 0.020 0.056 0.007 F117 0.189 0.214 0.211 0.020 0.056 0.007 F118 0.189 0.214 0.211 0.020 0.056 0.007 _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 C1 C6 1.32(2) . ? C1 C2 1.41(2) . ? C1 C37 1.52(2) . ? C1 Ru1 2.181(11) . ? C2 C3 1.32(2) . ? C2 C38 1.52(2) . ? C2 Ru1 2.206(11) . ? C3 C4 1.51(3) . ? C3 C39 1.559(19) . ? C3 Ru1 2.194(11) . ? C4 C5 1.33(2) . ? C4 C40 1.62(2) . ? C4 Ru1 2.147(13) . ? C5 C6 1.38(2) . ? C5 C41 1.52(2) . ? C5 Ru1 2.188(13) . ? C6 C42 1.53(2) . ? C6 Ru1 2.175(13) . ? C7 C12 1.420(17) . ? C7 C8 1.445(16) . ? C7 C43 1.481(17) . ? C7 Ru2 2.262(10) . ? C8 C9 1.405(18) . ? C8 C44 1.506(16) . ? C8 Ru2 2.187(11) . ? C9 C45 1.466(18) . ? C9 C10 1.51(2) . ? C9 Ru2 2.204(13) . ? C10 C11 1.36(2) . ? C10 C46 1.528(19) . ? C10 Ru2 2.170(14) . ? C11 C12 1.453(19) . ? C11 C47 1.539(19) . ? C11 Ru2 2.185(12) . ? C12 C48 1.478(17) . ? C12 Ru2 2.236(12) . ? C13 C14 1.441(18) . ? C13 C18 1.458(18) . ? C13 C49 1.482(17) . ? C13 Ru3 2.215(13) . ? C14 C15 1.434(17) . ? C14 C50 1.502(17) . ? C14 Ru3 2.162(12) . ? C15 C16 1.428(16) . ? C15 C51 1.489(18) . ? C15 Ru3 2.231(10) . ? C16 C17 1.435(16) . ? C16 C52 1.507(16) . ? C16 Ru3 2.220(10) . ? C17 C18 1.375(16) . ? C17 C53 1.528(16) . ? C17 Ru3 2.186(12) . ? C18 C54 1.545(18) . ? C18 Ru3 2.174(14) . ? C19 C20 1.37(2) . ? C19 C24 1.47(2) . ? C19 C55 1.476(19) . ? C19 Ru4 2.192(13) . ? C20 C21 1.415(18) . ? C20 C56 1.54(2) . ? C20 Ru4 2.158(14) . ? C21 C22 1.394(19) . ? C21 C57 1.523(18) . ? C21 Ru4 2.201(13) . ? C22 C23 1.492(18) . ? C22 C58 1.522(17) . ? C22 Ru4 2.197(12) . ? C23 C24 1.410(19) . ? C23 C59 1.43(2) . ? C23 Ru4 2.224(11) . ? C24 C60 1.49(2) . ? C24 Ru4 2.249(11) . ? C25 C26 1.430(17) . ? C25 C30 1.457(17) . ? C25 C61 1.507(17) . ? C25 Ru5 2.183(13) . ? C26 C27 1.419(16) . ? C26 C62 1.502(15) . ? C26 Ru5 2.183(10) . ? C27 C28 1.441(15) . ? C27 C63 1.498(16) . ? C27 Ru5 2.263(9) . ? C28 C29 1.439(16) . ? C28 C64 1.494(15) . ? C28 Ru5 2.243(9) . ? C29 C30 1.392(17) . ? C29 C65 1.515(15) . ? C29 Ru5 2.181(11) . ? C30 C66 1.515(17) . ? C30 Ru5 2.203(12) . ? C31 C32 1.403(16) . ? C31 C36 1.447(17) . ? C31 C67 1.532(18) . ? C31 Ru6 2.180(12) . ? C32 C33 1.407(17) . ? C32 C68 1.530(18) . ? C32 Ru6 2.175(13) . ? C33 C34 1.445(18) . ? C33 C69 1.494(16) . ? C33 Ru6 2.230(11) . ? C34 C35 1.466(17) . ? C34 C70 1.493(18) . ? C34 Ru6 2.245(11) . ? C35 C36 1.411(17) . ? C35 C71 1.474(18) . ? C35 Ru6 2.199(12) . ? C36 C72 1.518(17) . ? C36 Ru6 2.187(12) . ? C37 H37A 0.9600 . ? C37 H37B 0.9600 . ? C37 H37C 0.9600 . ? C38 H38A 0.9600 . ? C38 H38B 0.9600 . ? C38 H38C 0.9600 . ? C39 H39A 0.9600 . ? C39 H39B 0.9600 . ? C39 H39C 0.9600 . ? C40 H40A 0.9600 . ? C40 H40B 0.9600 . ? C40 H40C 0.9600 . ? C41 H41A 0.9600 . ? C41 H41B 0.9600 . ? C41 H41C 0.9600 . ? C42 H42A 0.9600 . ? C42 H42B 0.9600 . ? C42 H42C 0.9600 . ? C43 H43A 0.9600 . ? C43 H43B 0.9600 . ? C43 H43C 0.9600 . ? C44 H44A 0.9600 . ? C44 H44B 0.9600 . ? C44 H44C 0.9600 . ? C45 H45A 0.9600 . ? C45 H45B 0.9600 . ? C45 H45C 0.9600 . ? C46 H46A 0.9600 . ? C46 H46B 0.9600 . ? C46 H46C 0.9600 . ? C47 H47A 0.9600 . ? C47 H47B 0.9600 . ? C47 H47C 0.9600 . ? C48 H48A 0.9600 . ? C48 H48B 0.9600 . ? C48 H48C 0.9600 . ? C49 H49A 0.9600 . ? C49 H49B 0.9600 . ? C49 H49C 0.9600 . ? C50 H50A 0.9600 . ? C50 H50B 0.9600 . ? C50 H50C 0.9600 . ? C51 H51A 0.9600 . ? C51 H51B 0.9600 . ? C51 H51C 0.9600 . ? C52 H52A 0.9600 . ? C52 H52B 0.9600 . ? C52 H52C 0.9600 . ? C53 H53A 0.9600 . ? C53 H53B 0.9600 . ? C53 H53C 0.9600 . ? C54 H54A 0.9600 . ? C54 H54B 0.9600 . ? C54 H54C 0.9600 . ? C55 H55A 0.9600 . ? C55 H55B 0.9600 . ? C55 H55C 0.9600 . ? C56 H56A 0.9600 . ? C56 H56B 0.9600 . ? C56 H56C 0.9600 . ? C57 H57A 0.9600 . ? C57 H57B 0.9600 . ? C57 H57C 0.9600 . ? C58 H58A 0.9600 . ? C58 H58B 0.9600 . ? C58 H58C 0.9600 . ? C59 H59A 0.9600 . ? C59 H59B 0.9600 . ? C59 H59C 0.9600 . ? C60 H60A 0.9600 . ? C60 H60B 0.9600 . ? C60 H60C 0.9600 . ? C61 H61A 0.9600 . ? C61 H61B 0.9600 . ? C61 H61C 0.9600 . ? C62 H62A 0.9600 . ? C62 H62B 0.9600 . ? C62 H62C 0.9600 . ? C63 H63A 0.9600 . ? C63 H63B 0.9600 . ? C63 H63C 0.9600 . ? C64 H64A 0.9600 . ? C64 H64B 0.9600 . ? C64 H64C 0.9600 . ? C65 H65A 0.9600 . ? C65 H65B 0.9600 . ? C65 H65C 0.9600 . ? C66 H66A 0.9600 . ? C66 H66B 0.9600 . ? C66 H66C 0.9600 . ? C67 H67A 0.9600 . ? C67 H67B 0.9600 . ? C67 H67C 0.9600 . ? C68 H68A 0.9600 . ? C68 H68B 0.9600 . ? C68 H68C 0.9600 . ? C69 H69A 0.9600 . ? C69 H69B 0.9600 . ? C69 H69C 0.9600 . ? C70 H70A 0.9600 . ? C70 H70B 0.9600 . ? C70 H70C 0.9600 . ? C71 H71A 0.9600 . ? C71 H71B 0.9600 . ? C71 H71C 0.9600 . ? C72 H72A 0.9600 . ? C72 H72B 0.9600 . ? C72 H72C 0.9600 . ? C73 N1 1.344(11) . ? C73 C74 1.382(12) . ? C73 H73 0.9300 . ? C74 C75 1.410(12) . ? C74 H74 0.9300 . ? C75 C76 1.368(12) . ? C75 C78 1.478(13) . ? C76 C77 1.385(12) . ? C76 H76 0.9300 . ? C77 N1 1.338(11) . ? C77 H77 0.9300 . ? C78 N8 1.338(11) . ? C78 N9 1.365(11) . ? C79 N8 1.314(12) . ? C79 N7 1.359(12) . ? C79 C81 1.476(13) . ? C80 N9 1.330(11) . ? C80 N7 1.332(11) . ? C80 C86 1.505(12) . ? C81 C82 1.393(13) . ? C81 C85 1.394(12) . ? C82 C83 1.370(13) . ? C82 H82 0.9300 . ? C83 N3 1.339(12) . ? C83 H83 0.9300 . ? C84 C85 1.351(13) . ? C84 N3 1.371(12) . ? C84 H84 0.9300 . ? C85 H85 0.9300 . ? C86 C87 1.373(13) . ? C86 C89 1.376(13) . ? C87 C88 1.359(13) . ? C87 H87 0.9300 . ? C88 N5 1.328(12) . ? C88 H88 0.9300 . ? C89 C90 1.370(13) . ? C89 H89 0.9300 . ? C90 N5 1.328(12) . ? C90 H90 0.9300 . ? C91 N2 1.361(12) . ? C91 C92 1.395(14) . ? C91 H91 0.9300 . ? C92 C93 1.377(14) . ? C92 H92 0.9300 . ? C93 C94 1.387(13) . ? C93 C96 1.493(14) . ? C94 C95 1.350(13) . ? C94 H94 0.9300 . ? C95 N2 1.361(12) . ? C95 H95 0.9300 . ? C96 N11 1.322(12) . ? C96 N12 1.333(12) . ? C97 N12 1.310(12) . ? C97 N10 1.331(12) . ? C97 C99 1.492(13) . ? C98 N11 1.344(12) . ? C98 N10 1.346(12) . ? C98 C104 1.483(13) . ? C99 C102 1.365(14) . ? C99 C100 1.386(13) . ? C100 C101 1.378(13) . ? C100 H100 0.9300 . ? C101 N4 1.319(12) . ? C101 H101 0.9300 . ? C102 C103 1.368(13) . ? C102 H102 0.9300 . ? C103 N4 1.349(12) . ? C103 H103 0.9300 . ? C104 C105 1.389(13) . ? C104 C107 1.390(15) . ? C105 C106 1.381(14) . ? C105 H105 0.9300 . ? C106 N6 1.322(13) . ? C106 H106 0.9300 . ? C107 C108 1.349(14) . ? C107 H107 0.9300 . ? C108 N6 1.326(12) . ? C108 H108 0.9300 . ? N1 Ru1 2.126(7) . ? N2 Ru2 2.071(8) . ? N3 Ru3 2.106(8) . ? N4 Ru4 2.103(8) . ? N5 Ru5 2.112(8) . ? N6 Ru6 2.122(8) . ? Cl1 Ru1 2.456(3) . ? Cl1 Ru2 2.457(3) . ? Cl2 Ru2 2.416(3) . ? Cl2 Ru1 2.420(3) . ? Cl3 Ru4 2.426(3) . ? Cl3 Ru3 2.432(3) . ? Cl4 Ru3 2.450(3) . ? Cl4 Ru4 2.456(3) . ? Cl5 Ru5 2.450(3) . ? Cl5 Ru6 2.452(3) . ? Cl6 Ru6 2.441(3) . ? Cl6 Ru5 2.451(3) . ? S101 O103 1.4400 . ? S101 O102 1.4445 . ? S101 O101 1.4448 . ? S101 C111 1.7489 . ? C111 F102 1.3597 . ? C111 F101 1.3634 . ? C111 F103 1.3720 . ? S102 O106 1.4400 . ? S102 O105 1.4445 . ? S102 O104 1.4448 . ? S102 C112 1.7488 . ? C112 F105 1.3598 . ? C112 F104 1.3634 . ? C112 F106 1.3719 . ? S103 O109 1.4400 . ? S103 O108 1.4445 . ? S103 O107 1.4448 . ? S103 C113 1.7488 . ? C113 F108 1.3597 . ? C113 F107 1.3634 . ? C113 F109 1.3720 . ? S104 O112 1.4401 . ? S104 O111 1.4445 . ? S104 O110 1.4448 . ? S104 C114 1.7488 . ? C114 F111 1.3597 . ? C114 F110 1.3634 . ? C114 F112 1.3720 . ? S105 O115 1.4401 . ? S105 O114 1.4445 . ? S105 O113 1.4448 . ? S105 C115 1.7488 . ? C115 F114 1.3597 . ? C115 F113 1.3634 . ? C115 F115 1.3720 . ? S106 O118 1.4401 . ? S106 O117 1.4445 . ? S106 O116 1.4448 . ? S106 C116 1.7488 . ? C116 F117 1.3598 . ? C116 F116 1.3634 . ? C116 F118 1.3720 . ? 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 C6 C1 C2 122.7(13) . . ? C6 C1 C37 119.7(19) . . ? C2 C1 C37 117.6(19) . . ? C6 C1 Ru1 72.2(8) . . ? C2 C1 Ru1 72.3(7) . . ? C37 C1 Ru1 128.6(12) . . ? C3 C2 C1 118.9(14) . . ? C3 C2 C38 118(2) . . ? C1 C2 C38 123.2(18) . . ? C3 C2 Ru1 72.0(7) . . ? C1 C2 Ru1 70.3(7) . . ? C38 C2 Ru1 131.6(10) . . ? C2 C3 C4 118.4(12) . . ? C2 C3 C39 119(2) . . ? C4 C3 C39 122(2) . . ? C2 C3 Ru1 73.0(7) . . ? C4 C3 Ru1 68.0(7) . . ? C39 C3 Ru1 126.7(10) . . ? C5 C4 C3 118.9(13) . . ? C5 C4 C40 132.5(19) . . ? C3 C4 C40 108.5(18) . . ? C5 C4 Ru1 73.8(9) . . ? C3 C4 Ru1 71.4(7) . . ? C40 C4 Ru1 127.2(10) . . ? C4 C5 C6 120.4(13) . . ? C4 C5 C41 119(2) . . ? C6 C5 C41 121(2) . . ? C4 C5 Ru1 70.5(8) . . ? C6 C5 Ru1 71.1(9) . . ? C41 C5 Ru1 128.0(11) . . ? C1 C6 C5 120.7(13) . . ? C1 C6 C42 121(2) . . ? C5 C6 C42 118(2) . . ? C1 C6 Ru1 72.6(8) . . ? C5 C6 Ru1 72.2(8) . . ? C42 C6 Ru1 133.5(12) . . ? C12 C7 C8 120.5(11) . . ? C12 C7 C43 122.2(11) . . ? C8 C7 C43 116.9(11) . . ? C12 C7 Ru2 70.6(6) . . ? C8 C7 Ru2 68.3(6) . . ? C43 C7 Ru2 128.7(9) . . ? C9 C8 C7 120.2(11) . . ? C9 C8 C44 121.1(12) . . ? C7 C8 C44 118.7(12) . . ? C9 C8 Ru2 72.0(7) . . ? C7 C8 Ru2 73.9(6) . . ? C44 C8 Ru2 125.0(9) . . ? C8 C9 C45 120.4(13) . . ? C8 C9 C10 118.7(12) . . ? C45 C9 C10 120.9(13) . . ? C8 C9 Ru2 70.7(7) . . ? C45 C9 Ru2 132.7(9) . . ? C10 C9 Ru2 68.6(7) . . ? C11 C10 C9 119.3(12) . . ? C11 C10 C46 125.6(15) . . ? C9 C10 C46 114.8(14) . . ? C11 C10 Ru2 72.3(8) . . ? C9 C10 Ru2 71.0(7) . . ? C46 C10 Ru2 133.2(10) . . ? C10 C11 C12 122.0(12) . . ? C10 C11 C47 125.6(15) . . ? C12 C11 C47 112.2(14) . . ? C10 C11 Ru2 71.1(7) . . ? C12 C11 Ru2 72.7(7) . . ? C47 C11 Ru2 124.8(11) . . ? C7 C12 C11 118.9(11) . . ? C7 C12 C48 124.4(13) . . ? C11 C12 C48 116.7(13) . . ? C7 C12 Ru2 72.6(6) . . ? C11 C12 Ru2 68.9(7) . . ? C48 C12 Ru2 130.1(9) . . ? C14 C13 C18 117.1(11) . . ? C14 C13 C49 121.9(13) . . ? C18 C13 C49 120.9(13) . . ? C14 C13 Ru3 68.8(7) . . ? C18 C13 Ru3 69.1(7) . . ? C49 C13 Ru3 129.9(9) . . ? C15 C14 C13 121.1(11) . . ? C15 C14 C50 121.0(12) . . ? C13 C14 C50 117.8(12) . . ? C15 C14 Ru3 73.6(7) . . ? C13 C14 Ru3 72.8(7) . . ? C50 C14 Ru3 128.9(9) . . ? C16 C15 C14 119.1(11) . . ? C16 C15 C51 122.4(12) . . ? C14 C15 C51 118.3(11) . . ? C16 C15 Ru3 70.9(6) . . ? C14 C15 Ru3 68.3(6) . . ? C51 C15 Ru3 128.7(9) . . ? C15 C16 C17 119.8(10) . . ? C15 C16 C52 119.8(11) . . ? C17 C16 C52 120.5(11) . . ? C15 C16 Ru3 71.7(6) . . ? C17 C16 Ru3 69.7(6) . . ? C52 C16 Ru3 131.5(9) . . ? C18 C17 C16 121.0(11) . . ? C18 C17 C53 121.1(11) . . ? C16 C17 C53 117.8(11) . . ? C18 C17 Ru3 71.2(7) . . ? C16 C17 Ru3 72.3(6) . . ? C53 C17 Ru3 126.4(8) . . ? C17 C18 C13 121.6(12) . . ? C17 C18 C54 121.6(12) . . ? C13 C18 C54 116.8(11) . . ? C17 C18 Ru3 72.1(8) . . ? C13 C18 Ru3 72.1(8) . . ? C54 C18 Ru3 131.2(10) . . ? C20 C19 C24 118.2(12) . . ? C20 C19 C55 123.4(18) . . ? C24 C19 C55 118.4(16) . . ? C20 C19 Ru4 70.3(8) . . ? C24 C19 Ru4 72.8(7) . . ? C55 C19 Ru4 128.6(11) . . ? C19 C20 C21 122.7(14) . . ? C19 C20 C56 115.3(15) . . ? C21 C20 C56 121.9(16) . . ? C19 C20 Ru4 73.0(9) . . ? C21 C20 Ru4 72.7(8) . . ? C56 C20 Ru4 129.9(10) . . ? C22 C21 C20 120.5(12) . . ? C22 C21 C57 117.5(13) . . ? C20 C21 C57 122.1(15) . . ? C22 C21 Ru4 71.4(8) . . ? C20 C21 Ru4 69.4(8) . . ? C57 C21 Ru4 132.9(9) . . ? C21 C22 C23 119.6(11) . . ? C21 C22 C58 122.3(12) . . ? C23 C22 C58 118.0(13) . . ? C21 C22 Ru4 71.7(7) . . ? C23 C22 Ru4 71.3(6) . . ? C58 C22 Ru4 126.7(10) . . ? C24 C23 C59 122.3(15) . . ? C24 C23 C22 117.5(13) . . ? C59 C23 C22 120.0(15) . . ? C24 C23 Ru4 72.6(7) . . ? C59 C23 Ru4 132.5(11) . . ? C22 C23 Ru4 69.3(6) . . ? C23 C24 C19 121.1(12) . . ? C23 C24 C60 120.0(17) . . ? C19 C24 C60 118.6(15) . . ? C23 C24 Ru4 70.7(6) . . ? C19 C24 Ru4 68.6(7) . . ? C60 C24 Ru4 129.3(11) . . ? C26 C25 C30 118.9(11) . . ? C26 C25 C61 120.9(12) . . ? C30 C25 C61 120.2(11) . . ? C26 C25 Ru5 70.9(7) . . ? C30 C25 Ru5 71.4(7) . . ? C61 C25 Ru5 130.1(9) . . ? C27 C26 C25 120.6(10) . . ? C27 C26 C62 118.9(11) . . ? C25 C26 C62 120.5(11) . . ? C27 C26 Ru5 74.4(6) . . ? C25 C26 Ru5 70.9(7) . . ? C62 C26 Ru5 125.3(8) . . ? C26 C27 C28 120.4(10) . . ? C26 C27 C63 119.7(11) . . ? C28 C27 C63 119.7(11) . . ? C26 C27 Ru5 68.4(6) . . ? C28 C27 Ru5 70.6(5) . . ? C63 C27 Ru5 130.0(8) . . ? C29 C28 C27 118.1(10) . . ? C29 C28 C64 119.7(10) . . ? C27 C28 C64 122.2(11) . . ? C29 C28 Ru5 68.7(6) . . ? C27 C28 Ru5 72.1(5) . . ? C64 C28 Ru5 132.6(9) . . ? C30 C29 C28 122.0(10) . . ? C30 C29 C65 119.6(10) . . ? C28 C29 C65 118.4(10) . . ? C30 C29 Ru5 72.3(6) . . ? C28 C29 Ru5 73.4(6) . . ? C65 C29 Ru5 126.4(9) . . ? C29 C30 C25 119.7(11) . . ? C29 C30 C66 124.3(11) . . ? C25 C30 C66 115.9(12) . . ? C29 C30 Ru5 70.6(7) . . ? C25 C30 Ru5 69.8(7) . . ? C66 C30 Ru5 132.0(8) . . ? C32 C31 C36 120.2(11) . . ? C32 C31 C67 119.7(12) . . ? C36 C31 C67 120.2(11) . . ? C32 C31 Ru6 71.0(7) . . ? C36 C31 Ru6 70.9(7) . . ? C67 C31 Ru6 132.0(9) . . ? C31 C32 C33 121.3(12) . . ? C31 C32 C68 120.0(12) . . ? C33 C32 C68 118.7(11) . . ? C31 C32 Ru6 71.4(7) . . ? C33 C32 Ru6 73.5(7) . . ? C68 C32 Ru6 127.2(9) . . ? C32 C33 C34 120.9(10) . . ? C32 C33 C69 121.7(12) . . ? C34 C33 C69 117.3(12) . . ? C32 C33 Ru6 69.3(7) . . ? C34 C33 Ru6 71.7(6) . . ? C69 C33 Ru6 129.7(8) . . ? C33 C34 C35 117.0(11) . . ? C33 C34 C70 122.8(12) . . ? C35 C34 C70 120.1(13) . . ? C33 C34 Ru6 70.6(6) . . ? C35 C34 Ru6 69.0(6) . . ? C70 C34 Ru6 129.4(10) . . ? C36 C35 C34 121.5(11) . . ? C36 C35 C71 120.5(12) . . ? C34 C35 C71 117.9(12) . . ? C36 C35 Ru6 70.8(7) . . ? C34 C35 Ru6 72.4(7) . . ? C71 C35 Ru6 128.5(10) . . ? C35 C36 C31 119.0(10) . . ? C35 C36 C72 123.6(12) . . ? C31 C36 C72 117.3(12) . . ? C35 C36 Ru6 71.7(7) . . ? C31 C36 Ru6 70.4(7) . . ? C72 C36 Ru6 132.9(10) . . ? C1 C37 H37A 109.5 . . ? C1 C37 H37B 109.5 . . ? H37A C37 H37B 109.5 . . ? C1 C37 H37C 109.5 . . ? H37A C37 H37C 109.5 . . ? H37B C37 H37C 109.5 . . ? C2 C38 H38A 109.5 . . ? C2 C38 H38B 109.5 . . ? H38A C38 H38B 109.5 . . ? C2 C38 H38C 109.5 . . ? H38A C38 H38C 109.5 . . ? H38B C38 H38C 109.5 . . ? C3 C39 H39A 109.5 . . ? C3 C39 H39B 109.5 . . ? H39A C39 H39B 109.5 . . ? C3 C39 H39C 109.5 . . ? H39A C39 H39C 109.5 . . ? H39B C39 H39C 109.5 . . ? C4 C40 H40A 109.5 . . ? C4 C40 H40B 109.5 . . ? H40A C40 H40B 109.5 . . ? C4 C40 H40C 109.5 . . ? H40A C40 H40C 109.5 . . ? H40B C40 H40C 109.5 . . ? C5 C41 H41A 109.5 . . ? C5 C41 H41B 109.5 . . ? H41A C41 H41B 109.5 . . ? C5 C41 H41C 109.5 . . ? H41A C41 H41C 109.5 . . ? H41B C41 H41C 109.5 . . ? C6 C42 H42A 109.5 . . ? C6 C42 H42B 109.5 . . ? H42A C42 H42B 109.5 . . ? C6 C42 H42C 109.5 . . ? H42A C42 H42C 109.5 . . ? H42B C42 H42C 109.5 . . ? C7 C43 H43A 109.5 . . ? C7 C43 H43B 109.5 . . ? H43A C43 H43B 109.5 . . ? C7 C43 H43C 109.5 . . ? H43A C43 H43C 109.5 . . ? H43B C43 H43C 109.5 . . ? C8 C44 H44A 109.5 . . ? C8 C44 H44B 109.5 . . ? H44A C44 H44B 109.5 . . ? C8 C44 H44C 109.5 . . ? H44A C44 H44C 109.5 . . ? H44B C44 H44C 109.5 . . ? C9 C45 H45A 109.5 . . ? C9 C45 H45B 109.5 . . ? H45A C45 H45B 109.5 . . ? C9 C45 H45C 109.5 . . ? H45A C45 H45C 109.5 . . ? H45B C45 H45C 109.5 . . ? C10 C46 H46A 109.5 . . ? C10 C46 H46B 109.5 . . ? H46A C46 H46B 109.5 . . ? C10 C46 H46C 109.5 . . ? H46A C46 H46C 109.5 . . ? H46B C46 H46C 109.5 . . ? C11 C47 H47A 109.5 . . ? C11 C47 H47B 109.5 . . ? H47A C47 H47B 109.5 . . ? C11 C47 H47C 109.5 . . ? H47A C47 H47C 109.5 . . ? H47B C47 H47C 109.5 . . ? C12 C48 H48A 109.5 . . ? C12 C48 H48B 109.5 . . ? H48A C48 H48B 109.5 . . ? C12 C48 H48C 109.5 . . ? H48A C48 H48C 109.5 . . ? H48B C48 H48C 109.5 . . ? C13 C49 H49A 109.5 . . ? C13 C49 H49B 109.5 . . ? H49A C49 H49B 109.5 . . ? C13 C49 H49C 109.5 . . ? H49A C49 H49C 109.5 . . ? H49B C49 H49C 109.5 . . ? C14 C50 H50A 109.5 . . ? C14 C50 H50B 109.5 . . ? H50A C50 H50B 109.5 . . ? C14 C50 H50C 109.5 . . ? H50A C50 H50C 109.5 . . ? H50B C50 H50C 109.5 . . ? C15 C51 H51A 109.5 . . ? C15 C51 H51B 109.5 . . ? H51A C51 H51B 109.5 . . ? C15 C51 H51C 109.5 . . ? H51A C51 H51C 109.5 . . ? H51B C51 H51C 109.5 . . ? C16 C52 H52A 109.5 . . ? C16 C52 H52B 109.5 . . ? H52A C52 H52B 109.5 . . ? C16 C52 H52C 109.5 . . ? H52A C52 H52C 109.5 . . ? H52B C52 H52C 109.5 . . ? C17 C53 H53A 109.5 . . ? C17 C53 H53B 109.5 . . ? H53A C53 H53B 109.5 . . ? C17 C53 H53C 109.5 . . ? H53A C53 H53C 109.5 . . ? H53B C53 H53C 109.5 . . ? C18 C54 H54A 109.5 . . ? C18 C54 H54B 109.5 . . ? H54A C54 H54B 109.5 . . ? C18 C54 H54C 109.5 . . ? H54A C54 H54C 109.5 . . ? H54B C54 H54C 109.5 . . ? C19 C55 H55A 109.5 . . ? C19 C55 H55B 109.5 . . ? H55A C55 H55B 109.5 . . ? C19 C55 H55C 109.5 . . ? H55A C55 H55C 109.5 . . ? H55B C55 H55C 109.5 . . ? C20 C56 H56A 109.5 . . ? C20 C56 H56B 109.5 . . ? H56A C56 H56B 109.5 . . ? C20 C56 H56C 109.5 . . ? H56A C56 H56C 109.5 . . ? H56B C56 H56C 109.5 . . ? C21 C57 H57A 109.5 . . ? C21 C57 H57B 109.5 . . ? H57A C57 H57B 109.5 . . ? C21 C57 H57C 109.5 . . ? H57A C57 H57C 109.5 . . ? H57B C57 H57C 109.5 . . ? C22 C58 H58A 109.5 . . ? C22 C58 H58B 109.5 . . ? H58A C58 H58B 109.5 . . ? C22 C58 H58C 109.5 . . ? H58A C58 H58C 109.5 . . ? H58B C58 H58C 109.5 . . ? C23 C59 H59A 109.5 . . ? C23 C59 H59B 109.5 . . ? H59A C59 H59B 109.5 . . ? C23 C59 H59C 109.5 . . ? H59A C59 H59C 109.5 . . ? H59B C59 H59C 109.5 . . ? C24 C60 H60A 109.5 . . ? C24 C60 H60B 109.5 . . ? H60A C60 H60B 109.5 . . ? C24 C60 H60C 109.5 . . ? H60A C60 H60C 109.5 . . ? H60B C60 H60C 109.5 . . ? C25 C61 H61A 109.5 . . ? C25 C61 H61B 109.5 . . ? H61A C61 H61B 109.5 . . ? C25 C61 H61C 109.5 . . ? H61A C61 H61C 109.5 . . ? H61B C61 H61C 109.5 . . ? C26 C62 H62A 109.5 . . ? C26 C62 H62B 109.5 . . ? H62A C62 H62B 109.5 . . ? C26 C62 H62C 109.5 . . ? H62A C62 H62C 109.5 . . ? H62B C62 H62C 109.5 . . ? C27 C63 H63A 109.5 . . ? C27 C63 H63B 109.5 . . ? H63A C63 H63B 109.5 . . ? C27 C63 H63C 109.5 . . ? H63A C63 H63C 109.5 . . ? H63B C63 H63C 109.5 . . ? C28 C64 H64A 109.5 . . ? C28 C64 H64B 109.5 . . ? H64A C64 H64B 109.5 . . ? C28 C64 H64C 109.5 . . ? H64A C64 H64C 109.5 . . ? H64B C64 H64C 109.5 . . ? C29 C65 H65A 109.5 . . ? C29 C65 H65B 109.5 . . ? H65A C65 H65B 109.5 . . ? C29 C65 H65C 109.5 . . ? H65A C65 H65C 109.5 . . ? H65B C65 H65C 109.5 . . ? C30 C66 H66A 109.5 . . ? C30 C66 H66B 109.5 . . ? H66A C66 H66B 109.5 . . ? C30 C66 H66C 109.5 . . ? H66A C66 H66C 109.5 . . ? H66B C66 H66C 109.5 . . ? C31 C67 H67A 109.5 . . ? C31 C67 H67B 109.5 . . ? H67A C67 H67B 109.5 . . ? C31 C67 H67C 109.5 . . ? H67A C67 H67C 109.5 . . ? H67B C67 H67C 109.5 . . ? C32 C68 H68A 109.5 . . ? C32 C68 H68B 109.5 . . ? H68A C68 H68B 109.5 . . ? C32 C68 H68C 109.5 . . ? H68A C68 H68C 109.5 . . ? H68B C68 H68C 109.5 . . ? C33 C69 H69A 109.5 . . ? C33 C69 H69B 109.5 . . ? H69A C69 H69B 109.5 . . ? C33 C69 H69C 109.5 . . ? H69A C69 H69C 109.5 . . ? H69B C69 H69C 109.5 . . ? C34 C70 H70A 109.5 . . ? C34 C70 H70B 109.5 . . ? H70A C70 H70B 109.5 . . ? C34 C70 H70C 109.5 . . ? H70A C70 H70C 109.5 . . ? H70B C70 H70C 109.5 . . ? C35 C71 H71A 109.5 . . ? C35 C71 H71B 109.5 . . ? H71A C71 H71B 109.5 . . ? C35 C71 H71C 109.5 . . ? H71A C71 H71C 109.5 . . ? H71B C71 H71C 109.5 . . ? C36 C72 H72A 109.5 . . ? C36 C72 H72B 109.5 . . ? H72A C72 H72B 109.5 . . ? C36 C72 H72C 109.5 . . ? H72A C72 H72C 109.5 . . ? H72B C72 H72C 109.5 . . ? N1 C73 C74 122.6(9) . . ? N1 C73 H73 118.7 . . ? C74 C73 H73 118.7 . . ? C73 C74 C75 119.5(9) . . ? C73 C74 H74 120.3 . . ? C75 C74 H74 120.3 . . ? C76 C75 C74 117.2(8) . . ? C76 C75 C78 121.6(8) . . ? C74 C75 C78 121.2(8) . . ? C75 C76 C77 119.8(8) . . ? C75 C76 H76 120.1 . . ? C77 C76 H76 120.1 . . ? N1 C77 C76 123.3(8) . . ? N1 C77 H77 118.3 . . ? C76 C77 H77 118.3 . . ? N8 C78 N9 124.7(8) . . ? N8 C78 C75 118.0(8) . . ? N9 C78 C75 117.2(8) . . ? N8 C79 N7 125.7(9) . . ? N8 C79 C81 119.7(9) . . ? N7 C79 C81 114.6(8) . . ? N9 C80 N7 126.5(8) . . ? N9 C80 C86 118.0(8) . . ? N7 C80 C86 115.5(8) . . ? C82 C81 C85 117.7(9) . . ? C82 C81 C79 122.6(8) . . ? C85 C81 C79 119.6(8) . . ? C83 C82 C81 119.6(9) . . ? C83 C82 H82 120.2 . . ? C81 C82 H82 120.2 . . ? N3 C83 C82 123.2(9) . . ? N3 C83 H83 118.4 . . ? C82 C83 H83 118.4 . . ? C85 C84 N3 123.5(9) . . ? C85 C84 H84 118.2 . . ? N3 C84 H84 118.2 . . ? C84 C85 C81 119.3(9) . . ? C84 C85 H85 120.3 . . ? C81 C85 H85 120.3 . . ? C87 C86 C89 118.4(9) . . ? C87 C86 C80 119.6(8) . . ? C89 C86 C80 121.9(8) . . ? C88 C87 C86 118.7(9) . . ? C88 C87 H87 120.6 . . ? C86 C87 H87 120.6 . . ? N5 C88 C87 123.7(9) . . ? N5 C88 H88 118.1 . . ? C87 C88 H88 118.1 . . ? C90 C89 C86 118.8(9) . . ? C90 C89 H89 120.6 . . ? C86 C89 H89 120.6 . . ? N5 C90 C89 123.0(9) . . ? N5 C90 H90 118.5 . . ? C89 C90 H90 118.5 . . ? N2 C91 C92 121.8(9) . . ? N2 C91 H91 119.1 . . ? C92 C91 H91 119.1 . . ? C93 C92 C91 119.1(9) . . ? C93 C92 H92 120.4 . . ? C91 C92 H92 120.4 . . ? C92 C93 C94 118.4(9) . . ? C92 C93 C96 121.0(9) . . ? C94 C93 C96 120.5(9) . . ? C95 C94 C93 120.4(10) . . ? C95 C94 H94 119.8 . . ? C93 C94 H94 119.8 . . ? C94 C95 N2 122.5(9) . . ? C94 C95 H95 118.8 . . ? N2 C95 H95 118.8 . . ? N11 C96 N12 125.9(9) . . ? N11 C96 C93 116.7(9) . . ? N12 C96 C93 117.4(9) . . ? N12 C97 N10 126.3(9) . . ? N12 C97 C99 118.6(8) . . ? N10 C97 C99 115.2(8) . . ? N11 C98 N10 124.7(9) . . ? N11 C98 C104 118.9(9) . . ? N10 C98 C104 116.3(8) . . ? C102 C99 C100 118.6(9) . . ? C102 C99 C97 120.5(9) . . ? C100 C99 C97 120.9(9) . . ? C101 C100 C99 119.0(9) . . ? C101 C100 H100 120.5 . . ? C99 C100 H100 120.5 . . ? N4 C101 C100 122.6(9) . . ? N4 C101 H101 118.7 . . ? C100 C101 H101 118.7 . . ? C99 C102 C103 119.1(9) . . ? C99 C102 H102 120.4 . . ? C103 C102 H102 120.4 . . ? N4 C103 C102 122.7(9) . . ? N4 C103 H103 118.6 . . ? C102 C103 H103 118.6 . . ? C105 C104 C107 118.2(9) . . ? C105 C104 C98 121.6(9) . . ? C107 C104 C98 120.2(9) . . ? C106 C105 C104 117.7(9) . . ? C106 C105 H105 121.2 . . ? C104 C105 H105 121.2 . . ? N6 C106 C105 123.4(9) . . ? N6 C106 H106 118.3 . . ? C105 C106 H106 118.3 . . ? C108 C107 C104 119.3(9) . . ? C108 C107 H107 120.3 . . ? C104 C107 H107 120.3 . . ? N6 C108 C107 123.2(10) . . ? N6 C108 H108 118.4 . . ? C107 C108 H108 118.4 . . ? C77 N1 C73 117.3(8) . . ? C77 N1 Ru1 120.9(6) . . ? C73 N1 Ru1 120.8(6) . . ? C91 N2 C95 117.5(8) . . ? C91 N2 Ru2 120.2(7) . . ? C95 N2 Ru2 122.2(6) . . ? C83 N3 C84 116.6(8) . . ? C83 N3 Ru3 124.2(7) . . ? C84 N3 Ru3 118.9(6) . . ? C101 N4 C103 118.0(9) . . ? C101 N4 Ru4 122.8(6) . . ? C103 N4 Ru4 118.1(6) . . ? C90 N5 C88 117.2(9) . . ? C90 N5 Ru5 121.9(7) . . ? C88 N5 Ru5 120.7(6) . . ? C106 N6 C108 118.1(9) . . ? C106 N6 Ru6 121.4(7) . . ? C108 N6 Ru6 119.7(7) . . ? C80 N7 C79 113.8(8) . . ? C79 N8 C78 115.2(8) . . ? C80 N9 C78 113.9(8) . . ? C97 N10 C98 114.0(8) . . ? C96 N11 C98 114.3(8) . . ? C97 N12 C96 114.5(8) . . ? Ru1 Cl1 Ru2 98.65(8) . . ? Ru2 Cl2 Ru1 100.79(9) . . ? Ru4 Cl3 Ru3 99.44(9) . . ? Ru3 Cl4 Ru4 98.14(9) . . ? Ru5 Cl5 Ru6 99.54(9) . . ? Ru6 Cl6 Ru5 99.81(9) . . ? N1 Ru1 C4 106.5(5) . . ? N1 Ru1 C6 97.2(5) . . ? C4 Ru1 C6 65.7(6) . . ? N1 Ru1 C1 127.2(5) . . ? C4 Ru1 C1 77.9(5) . . ? C6 Ru1 C1 35.2(6) . . ? N1 Ru1 C5 88.3(4) . . ? C4 Ru1 C5 35.7(6) . . ? C6 Ru1 C5 36.7(6) . . ? C1 Ru1 C5 64.7(6) . . ? N1 Ru1 C3 145.9(7) . . ? C4 Ru1 C3 40.6(7) . . ? C6 Ru1 C3 78.2(5) . . ? C1 Ru1 C3 65.0(6) . . ? C5 Ru1 C3 67.8(6) . . ? N1 Ru1 C2 163.3(5) . . ? C4 Ru1 C2 67.9(6) . . ? C6 Ru1 C2 66.1(6) . . ? C1 Ru1 C2 37.4(6) . . ? C5 Ru1 C2 78.4(5) . . ? C3 Ru1 C2 35.0(6) . . ? N1 Ru1 Cl2 88.8(2) . . ? C4 Ru1 Cl2 101.3(5) . . ? C6 Ru1 Cl2 166.8(4) . . ? C1 Ru1 Cl2 143.1(5) . . ? C5 Ru1 Cl2 132.4(6) . . ? C3 Ru1 Cl2 90.2(4) . . ? C2 Ru1 Cl2 107.6(4) . . ? N1 Ru1 Cl1 89.0(2) . . ? C4 Ru1 Cl1 164.5(5) . . ? C6 Ru1 Cl1 111.5(5) . . ? C1 Ru1 Cl1 91.6(4) . . ? C5 Ru1 Cl1 147.1(6) . . ? C3 Ru1 Cl1 124.4(7) . . ? C2 Ru1 Cl1 96.8(4) . . ? Cl2 Ru1 Cl1 80.22(9) . . ? N2 Ru2 C10 91.3(4) . . ? N2 Ru2 C11 116.4(5) . . ? C10 Ru2 C11 36.5(5) . . ? N2 Ru2 C8 119.9(4) . . ? C10 Ru2 C8 70.4(5) . . ? C11 Ru2 C8 81.6(5) . . ? N2 Ru2 C9 93.2(4) . . ? C10 Ru2 C9 40.4(6) . . ? C11 Ru2 C9 68.9(5) . . ? C8 Ru2 C9 37.3(5) . . ? N2 Ru2 C12 154.5(4) . . ? C10 Ru2 C12 68.0(5) . . ? C11 Ru2 C12 38.4(5) . . ? C8 Ru2 C12 68.4(4) . . ? C9 Ru2 C12 80.7(5) . . ? N2 Ru2 C7 157.7(4) . . ? C10 Ru2 C7 80.5(5) . . ? C11 Ru2 C7 67.6(5) . . ? C8 Ru2 C7 37.8(4) . . ? C9 Ru2 C7 67.2(4) . . ? C12 Ru2 C7 36.8(4) . . ? N2 Ru2 Cl2 86.1(2) . . ? C10 Ru2 Cl2 157.3(5) . . ? C11 Ru2 Cl2 157.0(4) . . ? C8 Ru2 Cl2 91.5(3) . . ? C9 Ru2 Cl2 117.2(4) . . ? C12 Ru2 Cl2 118.8(4) . . ? C7 Ru2 Cl2 93.6(3) . . ? N2 Ru2 Cl1 85.8(2) . . ? C10 Ru2 Cl1 122.0(5) . . ? C11 Ru2 Cl1 95.8(4) . . ? C8 Ru2 Cl1 152.6(3) . . ? C9 Ru2 Cl1 162.4(4) . . ? C12 Ru2 Cl1 92.6(3) . . ? C7 Ru2 Cl1 116.1(3) . . ? Cl2 Ru2 Cl1 80.30(9) . . ? N3 Ru3 C14 123.8(4) . . ? N3 Ru3 C18 89.7(4) . . ? C14 Ru3 C18 69.6(5) . . ? N3 Ru3 C17 112.3(4) . . ? C14 Ru3 C17 81.5(4) . . ? C18 Ru3 C17 36.7(4) . . ? N3 Ru3 C13 94.3(4) . . ? C14 Ru3 C13 38.4(5) . . ? C18 Ru3 C13 38.8(5) . . ? C17 Ru3 C13 68.4(5) . . ? N3 Ru3 C16 149.5(4) . . ? C14 Ru3 C16 68.5(4) . . ? C18 Ru3 C16 67.6(4) . . ? C17 Ru3 C16 38.0(4) . . ? C13 Ru3 C16 80.9(5) . . ? N3 Ru3 C15 161.7(4) . . ? C14 Ru3 C15 38.1(4) . . ? C18 Ru3 C15 80.7(5) . . ? C17 Ru3 C15 68.2(4) . . ? C13 Ru3 C15 68.6(5) . . ? C16 Ru3 C15 37.4(4) . . ? N3 Ru3 Cl3 87.2(2) . . ? C14 Ru3 Cl3 89.9(4) . . ? C18 Ru3 Cl3 152.8(4) . . ? C17 Ru3 Cl3 160.3(3) . . ? C13 Ru3 Cl3 114.5(4) . . ? C16 Ru3 Cl3 122.3(3) . . ? C15 Ru3 Cl3 94.3(3) . . ? N3 Ru3 Cl4 88.3(2) . . ? C14 Ru3 Cl4 146.3(4) . . ? C18 Ru3 Cl4 125.8(4) . . ? C17 Ru3 Cl4 96.2(3) . . ? C13 Ru3 Cl4 164.2(4) . . ? C16 Ru3 Cl4 89.0(3) . . ? C15 Ru3 Cl4 110.0(3) . . ? Cl3 Ru3 Cl4 81.16(9) . . ? N4 Ru4 C20 91.2(5) . . ? N4 Ru4 C19 117.2(5) . . ? C20 Ru4 C19 36.7(6) . . ? N4 Ru4 C22 115.2(4) . . ? C20 Ru4 C22 68.1(5) . . ? C19 Ru4 C22 81.5(5) . . ? N4 Ru4 C21 90.5(4) . . ? C20 Ru4 C21 37.9(5) . . ? C19 Ru4 C21 67.6(5) . . ? C22 Ru4 C21 37.0(5) . . ? N4 Ru4 C23 154.5(4) . . ? C20 Ru4 C23 81.2(5) . . ? C19 Ru4 C23 69.2(6) . . ? C22 Ru4 C23 39.4(5) . . ? C21 Ru4 C23 68.6(5) . . ? N4 Ru4 C24 155.9(5) . . ? C20 Ru4 C24 67.2(6) . . ? C19 Ru4 C24 38.7(6) . . ? C22 Ru4 C24 67.9(4) . . ? C21 Ru4 C24 79.1(5) . . ? C23 Ru4 C24 36.7(5) . . ? N4 Ru4 Cl3 87.7(2) . . ? C20 Ru4 Cl3 119.1(4) . . ? C19 Ru4 Cl3 92.8(4) . . ? C22 Ru4 Cl3 156.5(4) . . ? C21 Ru4 Cl3 156.8(4) . . ? C23 Ru4 Cl3 117.3(4) . . ? C24 Ru4 Cl3 93.5(3) . . ? N4 Ru4 Cl4 85.5(2) . . ? C20 Ru4 Cl4 159.4(4) . . ? C19 Ru4 Cl4 156.3(5) . . ? C22 Ru4 Cl4 95.0(4) . . ? C21 Ru4 Cl4 121.7(4) . . ? C23 Ru4 Cl4 93.1(4) . . ? C24 Ru4 Cl4 118.5(5) . . ? Cl3 Ru4 Cl4 81.15(9) . . ? N5 Ru5 C29 117.1(4) . . ? N5 Ru5 C25 91.2(4) . . ? C29 Ru5 C25 68.8(5) . . ? N5 Ru5 C26 118.6(4) . . ? C29 Ru5 C26 81.1(4) . . ? C25 Ru5 C26 38.2(4) . . ? N5 Ru5 C30 91.5(4) . . ? C29 Ru5 C30 37.0(4) . . ? C25 Ru5 C30 38.8(4) . . ? C26 Ru5 C30 69.0(5) . . ? N5 Ru5 C28 154.9(4) . . ? C29 Ru5 C28 37.9(4) . . ? C25 Ru5 C28 81.1(4) . . ? C26 Ru5 C28 68.2(4) . . ? C30 Ru5 C28 67.7(4) . . ? N5 Ru5 C27 155.7(4) . . ? C29 Ru5 C27 67.5(4) . . ? C25 Ru5 C27 67.6(4) . . ? C26 Ru5 C27 37.2(4) . . ? C30 Ru5 C27 79.5(4) . . ? C28 Ru5 C27 37.3(4) . . ? N5 Ru5 Cl5 87.5(2) . . ? C29 Ru5 Cl5 94.0(3) . . ? C25 Ru5 Cl5 159.9(3) . . ? C26 Ru5 Cl5 152.8(3) . . ? C30 Ru5 Cl5 121.1(3) . . ? C28 Ru5 Cl5 91.6(3) . . ? C27 Ru5 Cl5 116.5(3) . . ? N5 Ru5 Cl6 86.8(2) . . ? C29 Ru5 Cl6 155.3(3) . . ? C25 Ru5 Cl6 119.7(3) . . ? C26 Ru5 Cl6 93.0(3) . . ? C30 Ru5 Cl6 158.5(3) . . ? C28 Ru5 Cl6 117.7(3) . . ? C27 Ru5 Cl6 93.4(3) . . ? Cl5 Ru5 Cl6 80.24(9) . . ? N6 Ru6 C32 113.7(4) . . ? N6 Ru6 C31 89.3(4) . . ? C32 Ru6 C31 37.6(4) . . ? N6 Ru6 C36 92.4(4) . . ? C32 Ru6 C36 69.0(5) . . ? C31 Ru6 C36 38.7(5) . . ? N6 Ru6 C35 121.2(4) . . ? C32 Ru6 C35 80.8(5) . . ? C31 Ru6 C35 68.4(5) . . ? C36 Ru6 C35 37.5(5) . . ? N6 Ru6 C33 150.6(4) . . ? C32 Ru6 C33 37.2(5) . . ? C31 Ru6 C33 67.5(4) . . ? C36 Ru6 C33 80.8(4) . . ? C35 Ru6 C33 68.2(4) . . ? N6 Ru6 C34 159.7(4) . . ? C32 Ru6 C34 68.3(5) . . ? C31 Ru6 C34 81.2(5) . . ? C36 Ru6 C34 69.0(5) . . ? C35 Ru6 C34 38.5(4) . . ? C33 Ru6 C34 37.7(5) . . ? N6 Ru6 Cl6 87.5(2) . . ? C32 Ru6 Cl6 95.7(3) . . ? C31 Ru6 Cl6 124.5(3) . . ? C36 Ru6 Cl6 163.2(3) . . ? C35 Ru6 Cl6 150.1(3) . . ? C33 Ru6 Cl6 91.0(3) . . ? C34 Ru6 Cl6 112.6(3) . . ? N6 Ru6 Cl5 87.8(2) . . ? C32 Ru6 Cl5 158.1(4) . . ? C31 Ru6 Cl5 154.8(3) . . ? C36 Ru6 Cl5 116.4(3) . . ? C35 Ru6 Cl5 91.9(4) . . ? C33 Ru6 Cl5 121.0(3) . . ? C34 Ru6 Cl5 93.2(4) . . ? Cl6 Ru6 Cl5 80.38(9) . . ? O103 S101 O102 113.0 . . ? O103 S101 O101 114.5 . . ? O102 S101 O101 116.9 . . ? O103 S101 C111 103.6 . . ? O102 S101 C111 104.2 . . ? O101 S101 C111 102.5 . . ? F102 C111 F101 107.3 . . ? F102 C111 F103 109.2 . . ? F101 C111 F103 102.5 . . ? F102 C111 S101 108.3 . . ? F101 C111 S101 117.2 . . ? F103 C111 S101 112.0 . . ? O106 S102 O105 113.0 . . ? O106 S102 O104 114.5 . . ? O105 S102 O104 116.9 . . ? O106 S102 C112 103.6 . . ? O105 S102 C112 104.2 . . ? O104 S102 C112 102.5 . . ? F105 C112 F104 107.3 . . ? F105 C112 F106 109.2 . . ? F104 C112 F106 102.5 . . ? F105 C112 S102 108.3 . . ? F104 C112 S102 117.2 . . ? F106 C112 S102 112.0 . . ? O109 S103 O108 113.0 . . ? O109 S103 O107 114.5 . . ? O108 S103 O107 116.9 . . ? O109 S103 C113 103.6 . . ? O108 S103 C113 104.2 . . ? O107 S103 C113 102.5 . . ? F108 C113 F107 107.3 . . ? F108 C113 F109 109.2 . . ? F107 C113 F109 102.5 . . ? F108 C113 S103 108.3 . . ? F107 C113 S103 117.2 . . ? F109 C113 S103 112.0 . . ? O112 S104 O111 113.0 . . ? O112 S104 O110 114.5 . . ? O111 S104 O110 116.9 . . ? O112 S104 C114 103.6 . . ? O111 S104 C114 104.2 . . ? O110 S104 C114 102.5 . . ? F111 C114 F110 107.3 . . ? F111 C114 F112 109.2 . . ? F110 C114 F112 102.5 . . ? F111 C114 S104 108.3 . . ? F110 C114 S104 117.2 . . ? F112 C114 S104 112.0 . . ? O115 S105 O114 113.0 . . ? O115 S105 O113 114.5 . . ? O114 S105 O113 116.9 . . ? O115 S105 C115 103.6 . . ? O114 S105 C115 104.2 . . ? O113 S105 C115 102.5 . . ? F114 C115 F113 107.3 . . ? F114 C115 F115 109.2 . . ? F113 C115 F115 102.5 . . ? F114 C115 S105 108.3 . . ? F113 C115 S105 117.2 . . ? F115 C115 S105 112.0 . . ? O118 S106 O117 113.0 . . ? O118 S106 O116 114.5 . . ? O117 S106 O116 116.9 . . ? O118 S106 C116 103.6 . . ? O117 S106 C116 104.2 . . ? O116 S106 C116 102.5 . . ? F117 C116 F116 107.3 . . ? F117 C116 F118 109.2 . . ? F116 C116 F118 102.5 . . ? F117 C116 S106 108.3 . . ? F116 C116 S106 117.2 . . ? F118 C116 S106 112.0 . . ? 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 C6 C1 C2 C3 -1(2) . . . . ? C37 C1 C2 C3 -180.0(14) . . . . ? Ru1 C1 C2 C3 -55.1(11) . . . . ? C6 C1 C2 C38 -178.4(15) . . . . ? C37 C1 C2 C38 3(2) . . . . ? Ru1 C1 C2 C38 127.5(14) . . . . ? C6 C1 C2 Ru1 54.1(13) . . . . ? C37 C1 C2 Ru1 -124.9(14) . . . . ? C1 C2 C3 C4 1.8(19) . . . . ? C38 C2 C3 C4 179.3(12) . . . . ? Ru1 C2 C3 C4 -52.5(10) . . . . ? C1 C2 C3 C39 177.3(12) . . . . ? C38 C2 C3 C39 -5(2) . . . . ? Ru1 C2 C3 C39 123.0(13) . . . . ? C1 C2 C3 Ru1 54.3(11) . . . . ? C38 C2 C3 Ru1 -128.2(13) . . . . ? C2 C3 C4 C5 -3.7(19) . . . . ? C39 C3 C4 C5 -179.1(13) . . . . ? Ru1 C3 C4 C5 -58.6(11) . . . . ? C2 C3 C4 C40 179.0(13) . . . . ? C39 C3 C4 C40 3.6(17) . . . . ? Ru1 C3 C4 C40 124.1(11) . . . . ? C2 C3 C4 Ru1 54.9(11) . . . . ? C39 C3 C4 Ru1 -120.5(13) . . . . ? C3 C4 C5 C6 5(2) . . . . ? C40 C4 C5 C6 -178.8(15) . . . . ? Ru1 C4 C5 C6 -52.7(13) . . . . ? C3 C4 C5 C41 -179.2(13) . . . . ? C40 C4 C5 C41 -3(2) . . . . ? Ru1 C4 C5 C41 123.4(14) . . . . ? C3 C4 C5 Ru1 57.3(11) . . . . ? C40 C4 C5 Ru1 -126.1(16) . . . . ? C2 C1 C6 C5 2(2) . . . . ? C37 C1 C6 C5 -179.2(15) . . . . ? Ru1 C1 C6 C5 56.1(13) . . . . ? C2 C1 C6 C42 175.0(14) . . . . ? C37 C1 C6 C42 -6(2) . . . . ? Ru1 C1 C6 C42 -130.8(15) . . . . ? C2 C1 C6 Ru1 -54.1(12) . . . . ? C37 C1 C6 Ru1 124.8(15) . . . . ? C4 C5 C6 C1 -4(2) . . . . ? C41 C5 C6 C1 -179.9(15) . . . . ? Ru1 C5 C6 C1 -56.3(13) . . . . ? C4 C5 C6 C42 -177.1(14) . . . . ? C41 C5 C6 C42 7(2) . . . . ? Ru1 C5 C6 C42 130.4(14) . . . . ? C4 C5 C6 Ru1 52.4(13) . . . . ? C41 C5 C6 Ru1 -123.6(14) . . . . ? C12 C7 C8 C9 7.8(17) . . . . ? C43 C7 C8 C9 -179.1(11) . . . . ? Ru2 C7 C8 C9 57.3(10) . . . . ? C12 C7 C8 C44 -171.1(11) . . . . ? C43 C7 C8 C44 2.0(16) . . . . ? Ru2 C7 C8 C44 -121.5(11) . . . . ? C12 C7 C8 Ru2 -49.5(10) . . . . ? C43 C7 C8 Ru2 123.6(10) . . . . ? C7 C8 C9 C45 173.0(11) . . . . ? C44 C8 C9 C45 -8.2(18) . . . . ? Ru2 C8 C9 C45 -128.8(12) . . . . ? C7 C8 C9 C10 -7.5(17) . . . . ? C44 C8 C9 C10 171.3(11) . . . . ? Ru2 C8 C9 C10 50.7(10) . . . . ? C7 C8 C9 Ru2 -58.2(10) . . . . ? C44 C8 C9 Ru2 120.6(11) . . . . ? C8 C9 C10 C11 4.2(19) . . . . ? C45 C9 C10 C11 -176.3(13) . . . . ? Ru2 C9 C10 C11 55.9(12) . . . . ? C8 C9 C10 C46 178.6(12) . . . . ? C45 C9 C10 C46 -1.9(18) . . . . ? Ru2 C9 C10 C46 -129.7(12) . . . . ? C8 C9 C10 Ru2 -51.7(10) . . . . ? C45 C9 C10 Ru2 127.8(12) . . . . ? C9 C10 C11 C12 -1(2) . . . . ? C46 C10 C11 C12 -174.7(14) . . . . ? Ru2 C10 C11 C12 54.3(12) . . . . ? C9 C10 C11 C47 -175.1(14) . . . . ? C46 C10 C11 C47 11(2) . . . . ? Ru2 C10 C11 C47 -119.9(15) . . . . ? C9 C10 C11 Ru2 -55.2(11) . . . . ? C46 C10 C11 Ru2 131.0(15) . . . . ? C8 C7 C12 C11 -4.4(17) . . . . ? C43 C7 C12 C11 -177.1(12) . . . . ? Ru2 C7 C12 C11 -52.9(10) . . . . ? C8 C7 C12 C48 175.6(12) . . . . ? C43 C7 C12 C48 2.9(19) . . . . ? Ru2 C7 C12 C48 127.1(13) . . . . ? C8 C7 C12 Ru2 48.5(10) . . . . ? C43 C7 C12 Ru2 -124.2(11) . . . . ? C10 C11 C12 C7 1.0(19) . . . . ? C47 C11 C12 C7 175.9(13) . . . . ? Ru2 C11 C12 C7 54.6(10) . . . . ? C10 C11 C12 C48 -179.0(13) . . . . ? C47 C11 C12 C48 -4.1(17) . . . . ? Ru2 C11 C12 C48 -125.4(11) . . . . ? C10 C11 C12 Ru2 -53.6(12) . . . . ? C47 C11 C12 Ru2 121.3(12) . . . . ? C18 C13 C14 C15 -6.7(17) . . . . ? C49 C13 C14 C15 177.5(11) . . . . ? Ru3 C13 C14 C15 -57.8(10) . . . . ? C18 C13 C14 C50 176.6(11) . . . . ? C49 C13 C14 C50 0.8(18) . . . . ? Ru3 C13 C14 C50 125.5(11) . . . . ? C18 C13 C14 Ru3 51.1(10) . . . . ? C49 C13 C14 Ru3 -124.7(12) . . . . ? C13 C14 C15 C16 6.1(17) . . . . ? C50 C14 C15 C16 -177.3(11) . . . . ? Ru3 C14 C15 C16 -51.3(10) . . . . ? C13 C14 C15 C51 -179.2(11) . . . . ? C50 C14 C15 C51 -2.6(17) . . . . ? Ru3 C14 C15 C51 123.3(11) . . . . ? C13 C14 C15 Ru3 57.4(10) . . . . ? C50 C14 C15 Ru3 -126.0(12) . . . . ? C14 C15 C16 C17 -2.3(17) . . . . ? C51 C15 C16 C17 -176.7(11) . . . . ? Ru3 C15 C16 C17 -52.5(9) . . . . ? C14 C15 C16 C52 178.1(11) . . . . ? C51 C15 C16 C52 3.7(17) . . . . ? Ru3 C15 C16 C52 127.9(11) . . . . ? C14 C15 C16 Ru3 50.2(10) . . . . ? C51 C15 C16 Ru3 -124.2(11) . . . . ? C15 C16 C17 C18 -0.6(17) . . . . ? C52 C16 C17 C18 179.0(12) . . . . ? Ru3 C16 C17 C18 -54.0(11) . . . . ? C15 C16 C17 C53 175.8(11) . . . . ? C52 C16 C17 C53 -4.6(17) . . . . ? Ru3 C16 C17 C53 122.4(10) . . . . ? C15 C16 C17 Ru3 53.4(9) . . . . ? C52 C16 C17 Ru3 -127.0(11) . . . . ? C16 C17 C18 C13 -0.2(19) . . . . ? C53 C17 C18 C13 -176.5(12) . . . . ? Ru3 C17 C18 C13 -54.7(11) . . . . ? C16 C17 C18 C54 -177.6(12) . . . . ? C53 C17 C18 C54 6.1(19) . . . . ? Ru3 C17 C18 C54 127.9(13) . . . . ? C16 C17 C18 Ru3 54.5(10) . . . . ? C53 C17 C18 Ru3 -121.8(11) . . . . ? C14 C13 C18 C17 3.8(18) . . . . ? C49 C13 C18 C17 179.6(12) . . . . ? Ru3 C13 C18 C17 54.7(11) . . . . ? C14 C13 C18 C54 -178.7(12) . . . . ? C49 C13 C18 C54 -2.9(18) . . . . ? Ru3 C13 C18 C54 -127.8(12) . . . . ? C14 C13 C18 Ru3 -50.9(10) . . . . ? C49 C13 C18 Ru3 124.9(12) . . . . ? C24 C19 C20 C21 1(2) . . . . ? C55 C19 C20 C21 -179.4(14) . . . . ? Ru4 C19 C20 C21 -55.6(12) . . . . ? C24 C19 C20 C56 -176.7(12) . . . . ? C55 C19 C20 C56 3(2) . . . . ? Ru4 C19 C20 C56 126.7(12) . . . . ? C24 C19 C20 Ru4 56.6(11) . . . . ? C55 C19 C20 Ru4 -123.8(15) . . . . ? C19 C20 C21 C22 4(2) . . . . ? C56 C20 C21 C22 -178.6(13) . . . . ? Ru4 C20 C21 C22 -51.9(11) . . . . ? C19 C20 C21 C57 -175.7(13) . . . . ? C56 C20 C21 C57 2(2) . . . . ? Ru4 C20 C21 C57 128.5(12) . . . . ? C19 C20 C21 Ru4 55.7(13) . . . . ? C56 C20 C21 Ru4 -126.7(13) . . . . ? C20 C21 C22 C23 -3.8(19) . . . . ? C57 C21 C22 C23 175.9(11) . . . . ? Ru4 C21 C22 C23 -54.8(10) . . . . ? C20 C21 C22 C58 173.3(12) . . . . ? C57 C21 C22 C58 -7.0(19) . . . . ? Ru4 C21 C22 C58 122.4(13) . . . . ? C20 C21 C22 Ru4 51.0(11) . . . . ? C57 C21 C22 Ru4 -129.4(11) . . . . ? C21 C22 C23 C24 -1.1(17) . . . . ? C58 C22 C23 C24 -178.3(11) . . . . ? Ru4 C22 C23 C24 -56.1(10) . . . . ? C21 C22 C23 C59 -177.0(13) . . . . ? C58 C22 C23 C59 5.7(18) . . . . ? Ru4 C22 C23 C59 128.0(13) . . . . ? C21 C22 C23 Ru4 55.0(11) . . . . ? C58 C22 C23 Ru4 -122.3(12) . . . . ? C59 C23 C24 C19 -178.2(13) . . . . ? C22 C23 C24 C19 6.0(18) . . . . ? Ru4 C23 C24 C19 -48.4(11) . . . . ? C59 C23 C24 C60 -5(2) . . . . ? C22 C23 C24 C60 179.4(13) . . . . ? Ru4 C23 C24 C60 124.9(13) . . . . ? C59 C23 C24 Ru4 -129.7(13) . . . . ? C22 C23 C24 Ru4 54.4(9) . . . . ? C20 C19 C24 C23 -6(2) . . . . ? C55 C19 C24 C23 174.4(13) . . . . ? Ru4 C19 C24 C23 49.3(11) . . . . ? C20 C19 C24 C60 -179.5(14) . . . . ? C55 C19 C24 C60 1(2) . . . . ? Ru4 C19 C24 C60 -124.1(13) . . . . ? C20 C19 C24 Ru4 -55.4(11) . . . . ? C55 C19 C24 Ru4 125.1(14) . . . . ? C30 C25 C26 C27 2.9(17) . . . . ? C61 C25 C26 C27 -176.4(11) . . . . ? Ru5 C25 C26 C27 57.6(10) . . . . ? C30 C25 C26 C62 -175.1(11) . . . . ? C61 C25 C26 C62 5.6(18) . . . . ? Ru5 C25 C26 C62 -120.4(11) . . . . ? C30 C25 C26 Ru5 -54.8(10) . . . . ? C61 C25 C26 Ru5 125.9(11) . . . . ? C25 C26 C27 C28 -6.1(17) . . . . ? C62 C26 C27 C28 171.9(10) . . . . ? Ru5 C26 C27 C28 49.8(10) . . . . ? C25 C26 C27 C63 179.3(11) . . . . ? C62 C26 C27 C63 -2.7(16) . . . . ? Ru5 C26 C27 C63 -124.8(10) . . . . ? C25 C26 C27 Ru5 -55.9(10) . . . . ? C62 C26 C27 Ru5 122.1(11) . . . . ? C26 C27 C28 C29 3.9(16) . . . . ? C63 C27 C28 C29 178.5(10) . . . . ? Ru5 C27 C28 C29 52.7(9) . . . . ? C26 C27 C28 C64 -178.4(11) . . . . ? C63 C27 C28 C64 -3.8(17) . . . . ? Ru5 C27 C28 C64 -129.6(11) . . . . ? C26 C27 C28 Ru5 -48.8(9) . . . . ? C63 C27 C28 Ru5 125.8(10) . . . . ? C27 C28 C29 C30 1.6(17) . . . . ? C64 C28 C29 C30 -176.1(11) . . . . ? Ru5 C28 C29 C30 56.0(10) . . . . ? C27 C28 C29 C65 -177.2(10) . . . . ? C64 C28 C29 C65 5.0(17) . . . . ? Ru5 C28 C29 C65 -122.9(11) . . . . ? C27 C28 C29 Ru5 -54.3(9) . . . . ? C64 C28 C29 Ru5 127.9(11) . . . . ? C28 C29 C30 C25 -4.9(17) . . . . ? C65 C29 C30 C25 174.0(11) . . . . ? Ru5 C29 C30 C25 51.6(10) . . . . ? C28 C29 C30 C66 175.3(11) . . . . ? C65 C29 C30 C66 -5.8(18) . . . . ? Ru5 C29 C30 C66 -128.2(12) . . . . ? C28 C29 C30 Ru5 -56.5(10) . . . . ? C65 C29 C30 Ru5 122.4(11) . . . . ? C26 C25 C30 C29 2.6(17) . . . . ? C61 C25 C30 C29 -178.1(11) . . . . ? Ru5 C25 C30 C29 -52.0(10) . . . . ? C26 C25 C30 C66 -177.6(11) . . . . ? C61 C25 C30 C66 1.7(17) . . . . ? Ru5 C25 C30 C66 127.9(10) . . . . ? C26 C25 C30 Ru5 54.5(10) . . . . ? C61 C25 C30 Ru5 -126.1(11) . . . . ? C36 C31 C32 C33 -3.1(19) . . . . ? C67 C31 C32 C33 175.5(11) . . . . ? Ru6 C31 C32 C33 -56.3(11) . . . . ? C36 C31 C32 C68 176.0(12) . . . . ? C67 C31 C32 C68 -5.4(18) . . . . ? Ru6 C31 C32 C68 122.8(12) . . . . ? C36 C31 C32 Ru6 53.1(10) . . . . ? C67 C31 C32 Ru6 -128.2(11) . . . . ? C31 C32 C33 C34 3.4(19) . . . . ? C68 C32 C33 C34 -175.7(11) . . . . ? Ru6 C32 C33 C34 -51.9(11) . . . . ? C31 C32 C33 C69 -180.0(11) . . . . ? C68 C32 C33 C69 0.9(18) . . . . ? Ru6 C32 C33 C69 124.7(11) . . . . ? C31 C32 C33 Ru6 55.3(11) . . . . ? C68 C32 C33 Ru6 -123.8(12) . . . . ? C32 C33 C34 C35 -1.9(17) . . . . ? C69 C33 C34 C35 -178.7(11) . . . . ? Ru6 C33 C34 C35 -52.7(10) . . . . ? C32 C33 C34 C70 175.8(13) . . . . ? C69 C33 C34 C70 -0.9(18) . . . . ? Ru6 C33 C34 C70 125.0(13) . . . . ? C32 C33 C34 Ru6 50.8(11) . . . . ? C69 C33 C34 Ru6 -126.0(10) . . . . ? C33 C34 C35 C36 0.3(18) . . . . ? C70 C34 C35 C36 -177.5(13) . . . . ? Ru6 C34 C35 C36 -53.2(11) . . . . ? C33 C34 C35 C71 178.3(12) . . . . ? C70 C34 C35 C71 0.5(19) . . . . ? Ru6 C34 C35 C71 124.8(13) . . . . ? C33 C34 C35 Ru6 53.5(10) . . . . ? C70 C34 C35 Ru6 -124.3(12) . . . . ? C34 C35 C36 C31 -0.1(19) . . . . ? C71 C35 C36 C31 -178.0(12) . . . . ? Ru6 C35 C36 C31 -54.0(10) . . . . ? C34 C35 C36 C72 -176.2(13) . . . . ? C71 C35 C36 C72 6(2) . . . . ? Ru6 C35 C36 C72 129.9(13) . . . . ? C34 C35 C36 Ru6 53.9(11) . . . . ? C71 C35 C36 Ru6 -124.0(13) . . . . ? C32 C31 C36 C35 1.5(18) . . . . ? C67 C31 C36 C35 -177.2(11) . . . . ? Ru6 C31 C36 C35 54.6(10) . . . . ? C32 C31 C36 C72 177.8(12) . . . . ? C67 C31 C36 C72 -0.8(18) . . . . ? Ru6 C31 C36 C72 -129.0(12) . . . . ? C32 C31 C36 Ru6 -53.2(11) . . . . ? C67 C31 C36 Ru6 128.2(11) . . . . ? N1 C73 C74 C75 1.3(17) . . . . ? C73 C74 C75 C76 -3.7(15) . . . . ? C73 C74 C75 C78 177.3(10) . . . . ? C74 C75 C76 C77 2.4(15) . . . . ? C78 C75 C76 C77 -178.6(9) . . . . ? C75 C76 C77 N1 1.4(16) . . . . ? C76 C75 C78 N8 -1.4(14) . . . . ? C74 C75 C78 N8 177.5(9) . . . . ? C76 C75 C78 N9 177.0(9) . . . . ? C74 C75 C78 N9 -4.0(14) . . . . ? N8 C79 C81 C82 15.1(15) . . . . ? N7 C79 C81 C82 -164.5(10) . . . . ? N8 C79 C81 C85 -162.4(10) . . . . ? N7 C79 C81 C85 17.9(14) . . . . ? C85 C81 C82 C83 1.1(16) . . . . ? C79 C81 C82 C83 -176.4(10) . . . . ? C81 C82 C83 N3 -0.1(17) . . . . ? N3 C84 C85 C81 -2.3(19) . . . . ? C82 C81 C85 C84 0.0(17) . . . . ? C79 C81 C85 C84 177.6(11) . . . . ? N9 C80 C86 C87 165.4(10) . . . . ? N7 C80 C86 C87 -13.0(15) . . . . ? N9 C80 C86 C89 -11.6(15) . . . . ? N7 C80 C86 C89 169.9(10) . . . . ? C89 C86 C87 C88 2.3(18) . . . . ? C80 C86 C87 C88 -174.8(10) . . . . ? C86 C87 C88 N5 -0.4(19) . . . . ? C87 C86 C89 C90 -2.0(17) . . . . ? C80 C86 C89 C90 175.0(10) . . . . ? C86 C89 C90 N5 -0.2(17) . . . . ? N2 C91 C92 C93 1.7(17) . . . . ? C91 C92 C93 C94 -3.7(16) . . . . ? C91 C92 C93 C96 173.6(10) . . . . ? C92 C93 C94 C95 1.9(17) . . . . ? C96 C93 C94 C95 -175.4(10) . . . . ? C93 C94 C95 N2 2.1(17) . . . . ? C92 C93 C96 N11 -5.3(15) . . . . ? C94 C93 C96 N11 171.9(10) . . . . ? C92 C93 C96 N12 173.8(10) . . . . ? C94 C93 C96 N12 -9.0(15) . . . . ? N12 C97 C99 C102 -156.5(11) . . . . ? N10 C97 C99 C102 22.7(15) . . . . ? N12 C97 C99 C100 21.6(15) . . . . ? N10 C97 C99 C100 -159.2(10) . . . . ? C102 C99 C100 C101 -0.9(16) . . . . ? C97 C99 C100 C101 -179.1(10) . . . . ? C99 C100 C101 N4 0.6(17) . . . . ? C100 C99 C102 C103 0.8(17) . . . . ? C97 C99 C102 C103 179.0(10) . . . . ? C99 C102 C103 N4 -0.5(17) . . . . ? N11 C98 C104 C105 -13.1(16) . . . . ? N10 C98 C104 C105 168.1(10) . . . . ? N11 C98 C104 C107 166.4(11) . . . . ? N10 C98 C104 C107 -12.4(15) . . . . ? C107 C104 C105 C106 -1.5(17) . . . . ? C98 C104 C105 C106 178.0(10) . . . . ? C104 C105 C106 N6 0.3(17) . . . . ? C105 C104 C107 C108 1.4(18) . . . . ? C98 C104 C107 C108 -178.1(11) . . . . ? C104 C107 C108 N6 0(2) . . . . ? C76 C77 N1 C73 -3.8(15) . . . . ? C76 C77 N1 Ru1 164.8(8) . . . . ? C74 C73 N1 C77 2.4(15) . . . . ? C74 C73 N1 Ru1 -166.2(8) . . . . ? C92 C91 N2 C95 2.2(16) . . . . ? C92 C91 N2 Ru2 -179.6(8) . . . . ? C94 C95 N2 C91 -4.2(16) . . . . ? C94 C95 N2 Ru2 177.8(8) . . . . ? C82 C83 N3 C84 -2.0(16) . . . . ? C82 C83 N3 Ru3 -175.8(8) . . . . ? C85 C84 N3 C83 3.3(17) . . . . ? C85 C84 N3 Ru3 177.3(10) . . . . ? C100 C101 N4 C103 -0.3(16) . . . . ? C100 C101 N4 Ru4 167.5(8) . . . . ? C102 C103 N4 C101 0.2(16) . . . . ? C102 C103 N4 Ru4 -168.1(9) . . . . ? C89 C90 N5 C88 2.0(17) . . . . ? C89 C90 N5 Ru5 178.2(8) . . . . ? C87 C88 N5 C90 -1.8(18) . . . . ? C87 C88 N5 Ru5 -178.0(9) . . . . ? C105 C106 N6 C108 1.1(17) . . . . ? C105 C106 N6 Ru6 -169.0(9) . . . . ? C107 C108 N6 C106 -1.2(18) . . . . ? C107 C108 N6 Ru6 169.1(10) . . . . ? N9 C80 N7 C79 -3.5(14) . . . . ? C86 C80 N7 C79 174.8(8) . . . . ? N8 C79 N7 C80 5.2(14) . . . . ? C81 C79 N7 C80 -175.2(9) . . . . ? N7 C79 N8 C78 -3.6(14) . . . . ? C81 C79 N8 C78 176.8(9) . . . . ? N9 C78 N8 C79 0.0(14) . . . . ? C75 C78 N8 C79 178.4(9) . . . . ? N7 C80 N9 C78 0.5(14) . . . . ? C86 C80 N9 C78 -177.8(9) . . . . ? N8 C78 N9 C80 1.4(14) . . . . ? C75 C78 N9 C80 -176.9(8) . . . . ? N12 C97 N10 C98 3.5(15) . . . . ? C99 C97 N10 C98 -175.6(9) . . . . ? N11 C98 N10 C97 -4.5(15) . . . . ? C104 C98 N10 C97 174.3(9) . . . . ? N12 C96 N11 C98 4.3(15) . . . . ? C93 C96 N11 C98 -176.8(9) . . . . ? N10 C98 N11 C96 0.9(15) . . . . ? C104 C98 N11 C96 -177.8(9) . . . . ? N10 C97 N12 C96 0.8(15) . . . . ? C99 C97 N12 C96 179.9(9) . . . . ? N11 C96 N12 C97 -5.1(16) . . . . ? C93 C96 N12 C97 175.9(9) . . . . ? C77 N1 Ru1 C4 -47.1(9) . . . . ? C73 N1 Ru1 C4 121.1(9) . . . . ? C77 N1 Ru1 C6 -113.9(9) . . . . ? C73 N1 Ru1 C6 54.3(9) . . . . ? C77 N1 Ru1 C1 -134.2(8) . . . . ? C73 N1 Ru1 C1 34.0(10) . . . . ? C77 N1 Ru1 C5 -78.2(10) . . . . ? C73 N1 Ru1 C5 90.0(10) . . . . ? C77 N1 Ru1 C3 -34.2(11) . . . . ? C73 N1 Ru1 C3 134.0(9) . . . . ? C77 N1 Ru1 C2 -114.8(18) . . . . ? C73 N1 Ru1 C2 53(2) . . . . ? C77 N1 Ru1 Cl2 54.4(7) . . . . ? C73 N1 Ru1 Cl2 -137.4(7) . . . . ? C77 N1 Ru1 Cl1 134.6(7) . . . . ? C73 N1 Ru1 Cl1 -57.2(7) . . . . ? C5 C4 Ru1 N1 -62.2(9) . . . . ? C3 C4 Ru1 N1 168.9(8) . . . . ? C40 C4 Ru1 N1 69.4(19) . . . . ? C5 C4 Ru1 C6 28.4(9) . . . . ? C3 C4 Ru1 C6 -100.5(10) . . . . ? C40 C4 Ru1 C6 160(2) . . . . ? C5 C4 Ru1 C1 63.4(10) . . . . ? C3 C4 Ru1 C1 -65.6(9) . . . . ? C40 C4 Ru1 C1 -165(2) . . . . ? C3 C4 Ru1 C5 -128.9(12) . . . . ? C40 C4 Ru1 C5 132(2) . . . . ? C5 C4 Ru1 C3 128.9(12) . . . . ? C40 C4 Ru1 C3 -99(2) . . . . ? C5 C4 Ru1 C2 101.2(10) . . . . ? C3 C4 Ru1 C2 -27.7(8) . . . . ? C40 C4 Ru1 C2 -127(2) . . . . ? C5 C4 Ru1 Cl2 -154.3(9) . . . . ? C3 C4 Ru1 Cl2 76.8(8) . . . . ? C40 C4 Ru1 Cl2 -22.7(19) . . . . ? C5 C4 Ru1 Cl1 112(2) . . . . ? C3 C4 Ru1 Cl1 -17(2) . . . . ? C40 C4 Ru1 Cl1 -116.9(16) . . . . ? C1 C6 Ru1 N1 -151.3(9) . . . . ? C5 C6 Ru1 N1 77.2(9) . . . . ? C42 C6 Ru1 N1 -35(3) . . . . ? C1 C6 Ru1 C4 103.8(10) . . . . ? C5 C6 Ru1 C4 -27.6(9) . . . . ? C42 C6 Ru1 C4 -140(3) . . . . ? C5 C6 Ru1 C1 -131.4(13) . . . . ? C42 C6 Ru1 C1 116(3) . . . . ? C1 C6 Ru1 C5 131.4(13) . . . . ? C42 C6 Ru1 C5 -112(3) . . . . ? C1 C6 Ru1 C3 63.0(11) . . . . ? C5 C6 Ru1 C3 -68.5(11) . . . . ? C42 C6 Ru1 C3 179(3) . . . . ? C1 C6 Ru1 C2 28.4(9) . . . . ? C5 C6 Ru1 C2 -103.0(10) . . . . ? C42 C6 Ru1 C2 144(3) . . . . ? C1 C6 Ru1 Cl2 92(3) . . . . ? C5 C6 Ru1 Cl2 -39(3) . . . . ? C42 C6 Ru1 Cl2 -152(2) . . . . ? C1 C6 Ru1 Cl1 -59.6(9) . . . . ? C5 C6 Ru1 Cl1 169.0(8) . . . . ? C42 C6 Ru1 Cl1 57(3) . . . . ? C6 C1 Ru1 N1 36.7(11) . . . . ? C2 C1 Ru1 N1 171.0(7) . . . . ? C37 C1 Ru1 N1 -77(2) . . . . ? C6 C1 Ru1 C4 -64.9(10) . . . . ? C2 C1 Ru1 C4 69.3(10) . . . . ? C37 C1 Ru1 C4 -179(2) . . . . ? C2 C1 Ru1 C6 134.3(13) . . . . ? C37 C1 Ru1 C6 -114(2) . . . . ? C6 C1 Ru1 C5 -29.7(9) . . . . ? C2 C1 Ru1 C5 104.5(10) . . . . ? C37 C1 Ru1 C5 -144(2) . . . . ? C6 C1 Ru1 C3 -105.7(11) . . . . ? C2 C1 Ru1 C3 28.5(9) . . . . ? C37 C1 Ru1 C3 140(2) . . . . ? C6 C1 Ru1 C2 -134.3(13) . . . . ? C37 C1 Ru1 C2 112(2) . . . . ? C6 C1 Ru1 Cl2 -157.6(8) . . . . ? C2 C1 Ru1 Cl2 -23.4(12) . . . . ? C37 C1 Ru1 Cl2 88(2) . . . . ? C6 C1 Ru1 Cl1 126.6(9) . . . . ? C2 C1 Ru1 Cl1 -99.1(8) . . . . ? C37 C1 Ru1 Cl1 12(2) . . . . ? C4 C5 Ru1 N1 122.0(9) . . . . ? C6 C5 Ru1 N1 -104.5(9) . . . . ? C41 C5 Ru1 N1 10(2) . . . . ? C6 C5 Ru1 C4 133.5(13) . . . . ? C41 C5 Ru1 C4 -112(3) . . . . ? C4 C5 Ru1 C6 -133.5(13) . . . . ? C41 C5 Ru1 C6 115(3) . . . . ? C4 C5 Ru1 C1 -105.0(10) . . . . ? C6 C5 Ru1 C1 28.5(8) . . . . ? C41 C5 Ru1 C1 143(3) . . . . ? C4 C5 Ru1 C3 -33.2(9) . . . . ? C6 C5 Ru1 C3 100.3(10) . . . . ? C41 C5 Ru1 C3 -145(3) . . . . ? C4 C5 Ru1 C2 -68.1(10) . . . . ? C6 C5 Ru1 C2 65.4(10) . . . . ? C41 C5 Ru1 C2 -180(3) . . . . ? C4 C5 Ru1 Cl2 35.2(11) . . . . ? C6 C5 Ru1 Cl2 168.7(8) . . . . ? C41 C5 Ru1 Cl2 -77(3) . . . . ? C4 C5 Ru1 Cl1 -152.6(8) . . . . ? C6 C5 Ru1 Cl1 -19.1(13) . . . . ? C41 C5 Ru1 Cl1 95(3) . . . . ? C2 C3 Ru1 N1 -150.4(10) . . . . ? C4 C3 Ru1 N1 -19.2(13) . . . . ? C39 C3 Ru1 N1 95(2) . . . . ? C2 C3 Ru1 C4 -131.2(13) . . . . ? C39 C3 Ru1 C4 115(3) . . . . ? C2 C3 Ru1 C6 -64.9(11) . . . . ? C4 C3 Ru1 C6 66.3(10) . . . . ? C39 C3 Ru1 C6 -179(2) . . . . ? C2 C3 Ru1 C1 -30.4(9) . . . . ? C4 C3 Ru1 C1 100.8(9) . . . . ? C39 C3 Ru1 C1 -145(2) . . . . ? C2 C3 Ru1 C5 -101.8(11) . . . . ? C4 C3 Ru1 C5 29.4(8) . . . . ? C39 C3 Ru1 C5 144(2) . . . . ? C4 C3 Ru1 C2 131.2(13) . . . . ? C39 C3 Ru1 C2 -114(3) . . . . ? C2 C3 Ru1 Cl2 121.5(10) . . . . ? C4 C3 Ru1 Cl2 -107.3(8) . . . . ? C39 C3 Ru1 Cl2 7(2) . . . . ? C2 C3 Ru1 Cl1 43.2(10) . . . . ? C4 C3 Ru1 Cl1 174.4(7) . . . . ? C39 C3 Ru1 Cl1 -71(2) . . . . ? C3 C2 Ru1 N1 105(2) . . . . ? C1 C2 Ru1 N1 -26(2) . . . . ? C38 C2 Ru1 N1 -143.2(19) . . . . ? C3 C2 Ru1 C4 31.9(10) . . . . ? C1 C2 Ru1 C4 -99.1(10) . . . . ? C38 C2 Ru1 C4 144(2) . . . . ? C3 C2 Ru1 C6 104.2(11) . . . . ? C1 C2 Ru1 C6 -26.8(9) . . . . ? C38 C2 Ru1 C6 -144(2) . . . . ? C3 C2 Ru1 C1 131.0(14) . . . . ? C38 C2 Ru1 C1 -117(2) . . . . ? C3 C2 Ru1 C5 67.6(11) . . . . ? C1 C2 Ru1 C5 -63.4(10) . . . . ? C38 C2 Ru1 C5 179(2) . . . . ? C1 C2 Ru1 C3 -131.0(14) . . . . ? C38 C2 Ru1 C3 112(3) . . . . ? C3 C2 Ru1 Cl2 -63.5(10) . . . . ? C1 C2 Ru1 Cl2 165.5(8) . . . . ? C38 C2 Ru1 Cl2 48(2) . . . . ? C3 C2 Ru1 Cl1 -145.3(10) . . . . ? C1 C2 Ru1 Cl1 83.7(8) . . . . ? C38 C2 Ru1 Cl1 -34(2) . . . . ? Ru2 Cl2 Ru1 N1 87.6(2) . . . . ? Ru2 Cl2 Ru1 C4 -165.8(5) . . . . ? Ru2 Cl2 Ru1 C6 -155(2) . . . . ? Ru2 Cl2 Ru1 C1 -81.0(6) . . . . ? Ru2 Cl2 Ru1 C5 174.2(5) . . . . ? Ru2 Cl2 Ru1 C3 -126.5(7) . . . . ? Ru2 Cl2 Ru1 C2 -95.6(4) . . . . ? Ru2 Cl2 Ru1 Cl1 -1.51(9) . . . . ? Ru2 Cl1 Ru1 N1 -87.5(2) . . . . ? Ru2 Cl1 Ru1 C4 98.6(19) . . . . ? Ru2 Cl1 Ru1 C6 175.1(5) . . . . ? Ru2 Cl1 Ru1 C1 145.3(5) . . . . ? Ru2 Cl1 Ru1 C5 -172.7(6) . . . . ? Ru2 Cl1 Ru1 C3 84.9(5) . . . . ? Ru2 Cl1 Ru1 C2 108.2(5) . . . . ? Ru2 Cl1 Ru1 Cl2 1.48(9) . . . . ? C91 N2 Ru2 C10 -70.4(9) . . . . ? C95 N2 Ru2 C10 107.7(9) . . . . ? C91 N2 Ru2 C11 -42.8(10) . . . . ? C95 N2 Ru2 C11 135.2(9) . . . . ? C91 N2 Ru2 C8 -138.4(8) . . . . ? C95 N2 Ru2 C8 39.7(9) . . . . ? C91 N2 Ru2 C9 -110.8(9) . . . . ? C95 N2 Ru2 C9 67.2(9) . . . . ? C91 N2 Ru2 C12 -35.7(14) . . . . ? C95 N2 Ru2 C12 142.3(10) . . . . ? C91 N2 Ru2 C7 -138.0(11) . . . . ? C95 N2 Ru2 C7 40.1(14) . . . . ? C91 N2 Ru2 Cl2 132.2(8) . . . . ? C95 N2 Ru2 Cl2 -49.8(8) . . . . ? C91 N2 Ru2 Cl1 51.6(8) . . . . ? C95 N2 Ru2 Cl1 -130.3(8) . . . . ? C11 C10 Ru2 N2 135.8(8) . . . . ? C9 C10 Ru2 N2 -93.4(7) . . . . ? C46 C10 Ru2 N2 13.2(18) . . . . ? C9 C10 Ru2 C11 130.8(12) . . . . ? C46 C10 Ru2 C11 -123(2) . . . . ? C11 C10 Ru2 C8 -102.8(9) . . . . ? C9 C10 Ru2 C8 28.0(7) . . . . ? C46 C10 Ru2 C8 134.6(19) . . . . ? C11 C10 Ru2 C9 -130.8(12) . . . . ? C46 C10 Ru2 C9 107(2) . . . . ? C11 C10 Ru2 C12 -28.9(8) . . . . ? C9 C10 Ru2 C12 101.9(8) . . . . ? C46 C10 Ru2 C12 -151.5(19) . . . . ? C11 C10 Ru2 C7 -65.0(8) . . . . ? C9 C10 Ru2 C7 65.8(7) . . . . ? C46 C10 Ru2 C7 172.4(18) . . . . ? C11 C10 Ru2 Cl2 -141.3(9) . . . . ? C9 C10 Ru2 Cl2 -10.5(14) . . . . ? C46 C10 Ru2 Cl2 96.1(19) . . . . ? C11 C10 Ru2 Cl1 50.0(9) . . . . ? C9 C10 Ru2 Cl1 -179.3(6) . . . . ? C46 C10 Ru2 Cl1 -72.7(18) . . . . ? C10 C11 Ru2 N2 -51.1(9) . . . . ? C12 C11 Ru2 N2 175.1(7) . . . . ? C47 C11 Ru2 N2 69.7(15) . . . . ? C12 C11 Ru2 C10 -133.8(12) . . . . ? C47 C11 Ru2 C10 120.8(18) . . . . ? C10 C11 Ru2 C8 68.2(9) . . . . ? C12 C11 Ru2 C8 -65.6(8) . . . . ? C47 C11 Ru2 C8 -171.0(15) . . . . ? C10 C11 Ru2 C9 31.8(8) . . . . ? C12 C11 Ru2 C9 -102.1(8) . . . . ? C47 C11 Ru2 C9 152.6(16) . . . . ? C10 C11 Ru2 C12 133.8(12) . . . . ? C47 C11 Ru2 C12 -105.4(17) . . . . ? C10 C11 Ru2 C7 104.9(9) . . . . ? C12 C11 Ru2 C7 -29.0(7) . . . . ? C47 C11 Ru2 C7 -134.4(16) . . . . ? C10 C11 Ru2 Cl2 141.9(10) . . . . ? C12 C11 Ru2 Cl2 8.0(15) . . . . ? C47 C11 Ru2 Cl2 -97.3(15) . . . . ? C10 C11 Ru2 Cl1 -139.3(8) . . . . ? C12 C11 Ru2 Cl1 86.9(7) . . . . ? C47 C11 Ru2 Cl1 -18.5(14) . . . . ? C9 C8 Ru2 N2 49.6(8) . . . . ? C7 C8 Ru2 N2 179.8(6) . . . . ? C44 C8 Ru2 N2 -66.2(13) . . . . ? C9 C8 Ru2 C10 -30.2(8) . . . . ? C7 C8 Ru2 C10 100.0(8) . . . . ? C44 C8 Ru2 C10 -146.0(13) . . . . ? C9 C8 Ru2 C11 -66.1(8) . . . . ? C7 C8 Ru2 C11 64.1(8) . . . . ? C44 C8 Ru2 C11 178.1(13) . . . . ? C7 C8 Ru2 C9 130.1(10) . . . . ? C44 C8 Ru2 C9 -115.8(15) . . . . ? C9 C8 Ru2 C12 -103.5(8) . . . . ? C7 C8 Ru2 C12 26.6(7) . . . . ? C44 C8 Ru2 C12 140.7(13) . . . . ? C9 C8 Ru2 C7 -130.1(10) . . . . ? C44 C8 Ru2 C7 114.0(15) . . . . ? C9 C8 Ru2 Cl2 135.9(7) . . . . ? C7 C8 Ru2 Cl2 -93.9(7) . . . . ? C44 C8 Ru2 Cl2 20.1(12) . . . . ? C9 C8 Ru2 Cl1 -152.5(7) . . . . ? C7 C8 Ru2 Cl1 -22.3(11) . . . . ? C44 C8 Ru2 Cl1 91.7(13) . . . . ? C8 C9 Ru2 N2 -138.6(7) . . . . ? C45 C9 Ru2 N2 -24.6(15) . . . . ? C10 C9 Ru2 N2 88.3(7) . . . . ? C8 C9 Ru2 C10 133.2(11) . . . . ? C45 C9 Ru2 C10 -112.8(18) . . . . ? C8 C9 Ru2 C11 104.3(8) . . . . ? C45 C9 Ru2 C11 -141.7(17) . . . . ? C10 C9 Ru2 C11 -28.9(7) . . . . ? C45 C9 Ru2 C8 114.0(18) . . . . ? C10 C9 Ru2 C8 -133.2(11) . . . . ? C8 C9 Ru2 C12 66.3(7) . . . . ? C45 C9 Ru2 C12 -179.7(16) . . . . ? C10 C9 Ru2 C12 -66.8(8) . . . . ? C8 C9 Ru2 C7 30.6(7) . . . . ? C45 C9 Ru2 C7 144.6(17) . . . . ? C10 C9 Ru2 C7 -102.6(8) . . . . ? C8 C9 Ru2 Cl2 -51.4(7) . . . . ? C45 C9 Ru2 Cl2 62.6(16) . . . . ? C10 C9 Ru2 Cl2 175.5(6) . . . . ? C8 C9 Ru2 Cl1 135.2(10) . . . . ? C45 C9 Ru2 Cl1 -110.8(16) . . . . ? C10 C9 Ru2 Cl1 2.1(16) . . . . ? C7 C12 Ru2 N2 -141.8(9) . . . . ? C11 C12 Ru2 N2 -10.2(14) . . . . ? C48 C12 Ru2 N2 97.5(16) . . . . ? C7 C12 Ru2 C10 -104.0(9) . . . . ? C11 C12 Ru2 C10 27.6(8) . . . . ? C48 C12 Ru2 C10 135.3(16) . . . . ? C7 C12 Ru2 C11 -131.6(11) . . . . ? C48 C12 Ru2 C11 107.7(17) . . . . ? C7 C12 Ru2 C8 -27.3(7) . . . . ? C11 C12 Ru2 C8 104.3(9) . . . . ? C48 C12 Ru2 C8 -148.0(15) . . . . ? C7 C12 Ru2 C9 -64.0(8) . . . . ? C11 C12 Ru2 C9 67.6(8) . . . . ? C48 C12 Ru2 C9 175.3(15) . . . . ? C11 C12 Ru2 C7 131.6(11) . . . . ? C48 C12 Ru2 C7 -120.7(17) . . . . ? C7 C12 Ru2 Cl2 52.0(8) . . . . ? C11 C12 Ru2 Cl2 -176.4(7) . . . . ? C48 C12 Ru2 Cl2 -68.7(15) . . . . ? C7 C12 Ru2 Cl1 132.4(7) . . . . ? C11 C12 Ru2 Cl1 -96.0(8) . . . . ? C48 C12 Ru2 Cl1 11.7(14) . . . . ? C12 C7 Ru2 N2 135.4(10) . . . . ? C8 C7 Ru2 N2 -0.6(14) . . . . ? C43 C7 Ru2 N2 -108.3(13) . . . . ? C12 C7 Ru2 C10 65.8(8) . . . . ? C8 C7 Ru2 C10 -70.1(8) . . . . ? C43 C7 Ru2 C10 -177.9(12) . . . . ? C12 C7 Ru2 C11 30.1(8) . . . . ? C8 C7 Ru2 C11 -105.8(8) . . . . ? C43 C7 Ru2 C11 146.4(13) . . . . ? C12 C7 Ru2 C8 136.0(11) . . . . ? C43 C7 Ru2 C8 -107.8(14) . . . . ? C12 C7 Ru2 C9 105.8(9) . . . . ? C8 C7 Ru2 C9 -30.2(7) . . . . ? C43 C7 Ru2 C9 -138.0(12) . . . . ? C8 C7 Ru2 C12 -136.0(11) . . . . ? C43 C7 Ru2 C12 116.3(14) . . . . ? C12 C7 Ru2 Cl2 -136.2(7) . . . . ? C8 C7 Ru2 Cl2 87.8(7) . . . . ? C43 C7 Ru2 Cl2 -19.9(11) . . . . ? C12 C7 Ru2 Cl1 -55.3(8) . . . . ? C8 C7 Ru2 Cl1 168.8(6) . . . . ? C43 C7 Ru2 Cl1 61.0(12) . . . . ? Ru1 Cl2 Ru2 N2 -84.9(2) . . . . ? Ru1 Cl2 Ru2 C10 -168.8(9) . . . . ? Ru1 Cl2 Ru2 C11 83.5(10) . . . . ? Ru1 Cl2 Ru2 C8 155.2(3) . . . . ? Ru1 Cl2 Ru2 C9 -176.5(4) . . . . ? Ru1 Cl2 Ru2 C12 89.2(4) . . . . ? Ru1 Cl2 Ru2 C7 117.4(3) . . . . ? Ru1 Cl2 Ru2 Cl1 1.51(9) . . . . ? Ru1 Cl1 Ru2 N2 85.2(2) . . . . ? Ru1 Cl1 Ru2 C10 174.1(4) . . . . ? Ru1 Cl1 Ru2 C11 -158.6(4) . . . . ? Ru1 Cl1 Ru2 C8 -75.7(7) . . . . ? Ru1 Cl1 Ru2 C9 172.6(11) . . . . ? Ru1 Cl1 Ru2 C12 -120.3(4) . . . . ? Ru1 Cl1 Ru2 C7 -90.7(4) . . . . ? Ru1 Cl1 Ru2 Cl2 -1.48(9) . . . . ? C83 N3 Ru3 C14 36.2(10) . . . . ? C84 N3 Ru3 C14 -137.4(9) . . . . ? C83 N3 Ru3 C18 101.1(9) . . . . ? C84 N3 Ru3 C18 -72.5(9) . . . . ? C83 N3 Ru3 C17 130.9(9) . . . . ? C84 N3 Ru3 C17 -42.7(9) . . . . ? C83 N3 Ru3 C13 62.6(9) . . . . ? C84 N3 Ru3 C13 -111.0(9) . . . . ? C83 N3 Ru3 C16 141.8(9) . . . . ? C84 N3 Ru3 C16 -31.8(13) . . . . ? C83 N3 Ru3 C15 43.2(17) . . . . ? C84 N3 Ru3 C15 -130.4(13) . . . . ? C83 N3 Ru3 Cl3 -51.9(8) . . . . ? C84 N3 Ru3 Cl3 134.5(8) . . . . ? C83 N3 Ru3 Cl4 -133.1(8) . . . . ? C84 N3 Ru3 Cl4 53.3(8) . . . . ? C15 C14 Ru3 N3 176.5(6) . . . . ? C13 C14 Ru3 N3 45.5(8) . . . . ? C50 C14 Ru3 N3 -66.7(14) . . . . ? C15 C14 Ru3 C18 101.3(8) . . . . ? C13 C14 Ru3 C18 -29.7(7) . . . . ? C50 C14 Ru3 C18 -141.9(14) . . . . ? C15 C14 Ru3 C17 65.2(7) . . . . ? C13 C14 Ru3 C17 -65.7(7) . . . . ? C50 C14 Ru3 C17 -177.9(14) . . . . ? C15 C14 Ru3 C13 131.0(11) . . . . ? C50 C14 Ru3 C13 -112.2(15) . . . . ? C15 C14 Ru3 C16 28.1(7) . . . . ? C13 C14 Ru3 C16 -102.8(8) . . . . ? C50 C14 Ru3 C16 145.0(14) . . . . ? C13 C14 Ru3 C15 -131.0(11) . . . . ? C50 C14 Ru3 C15 116.9(16) . . . . ? C15 C14 Ru3 Cl3 -97.0(7) . . . . ? C13 C14 Ru3 Cl3 132.1(6) . . . . ? C50 C14 Ru3 Cl3 19.9(13) . . . . ? C15 C14 Ru3 Cl4 -23.2(11) . . . . ? C13 C14 Ru3 Cl4 -154.1(6) . . . . ? C50 C14 Ru3 Cl4 93.7(13) . . . . ? C17 C18 Ru3 N3 129.8(7) . . . . ? C13 C18 Ru3 N3 -97.1(7) . . . . ? C54 C18 Ru3 N3 13.1(13) . . . . ? C17 C18 Ru3 C14 -103.6(8) . . . . ? C13 C18 Ru3 C14 29.4(7) . . . . ? C54 C18 Ru3 C14 139.7(13) . . . . ? C13 C18 Ru3 C17 133.1(11) . . . . ? C54 C18 Ru3 C17 -116.7(16) . . . . ? C17 C18 Ru3 C13 -133.1(11) . . . . ? C54 C18 Ru3 C13 110.3(15) . . . . ? C17 C18 Ru3 C16 -29.2(7) . . . . ? C13 C18 Ru3 C16 103.8(8) . . . . ? C54 C18 Ru3 C16 -145.9(14) . . . . ? C17 C18 Ru3 C15 -65.8(7) . . . . ? C13 C18 Ru3 C15 67.2(7) . . . . ? C54 C18 Ru3 C15 177.5(13) . . . . ? C17 C18 Ru3 Cl3 -146.9(6) . . . . ? C13 C18 Ru3 Cl3 -13.8(11) . . . . ? C54 C18 Ru3 Cl3 96.4(14) . . . . ? C17 C18 Ru3 Cl4 42.1(8) . . . . ? C13 C18 Ru3 Cl4 175.2(6) . . . . ? C54 C18 Ru3 Cl4 -74.6(13) . . . . ? C18 C17 Ru3 N3 -56.1(8) . . . . ? C16 C17 Ru3 N3 171.0(6) . . . . ? C53 C17 Ru3 N3 59.1(11) . . . . ? C18 C17 Ru3 C14 67.0(8) . . . . ? C16 C17 Ru3 C14 -65.8(7) . . . . ? C53 C17 Ru3 C14 -177.7(11) . . . . ? C16 C17 Ru3 C18 -132.9(11) . . . . ? C53 C17 Ru3 C18 115.3(13) . . . . ? C18 C17 Ru3 C13 29.5(8) . . . . ? C16 C17 Ru3 C13 -103.3(8) . . . . ? C53 C17 Ru3 C13 144.8(12) . . . . ? C18 C17 Ru3 C16 132.9(11) . . . . ? C53 C17 Ru3 C16 -111.9(14) . . . . ? C18 C17 Ru3 C15 104.1(8) . . . . ? C16 C17 Ru3 C15 -28.7(7) . . . . ? C53 C17 Ru3 C15 -140.6(12) . . . . ? C18 C17 Ru3 Cl3 132.1(9) . . . . ? C16 C17 Ru3 Cl3 -0.7(14) . . . . ? C53 C17 Ru3 Cl3 -112.6(11) . . . . ? C18 C17 Ru3 Cl4 -146.8(7) . . . . ? C16 C17 Ru3 Cl4 80.3(7) . . . . ? C53 C17 Ru3 Cl4 -31.6(11) . . . . ? C14 C13 Ru3 N3 -143.6(7) . . . . ? C18 C13 Ru3 N3 84.3(7) . . . . ? C49 C13 Ru3 N3 -29.1(14) . . . . ? C18 C13 Ru3 C14 -132.2(10) . . . . ? C49 C13 Ru3 C14 114.5(17) . . . . ? C14 C13 Ru3 C18 132.2(10) . . . . ? C49 C13 Ru3 C18 -113.4(17) . . . . ? C14 C13 Ru3 C17 104.1(7) . . . . ? C18 C13 Ru3 C17 -28.1(6) . . . . ? C49 C13 Ru3 C17 -141.4(15) . . . . ? C14 C13 Ru3 C16 66.8(7) . . . . ? C18 C13 Ru3 C16 -65.4(7) . . . . ? C49 C13 Ru3 C16 -178.8(15) . . . . ? C14 C13 Ru3 C15 30.0(7) . . . . ? C18 C13 Ru3 C15 -102.2(7) . . . . ? C49 C13 Ru3 C15 144.5(15) . . . . ? C14 C13 Ru3 Cl3 -54.7(7) . . . . ? C18 C13 Ru3 Cl3 173.1(6) . . . . ? C49 C13 Ru3 Cl3 59.7(15) . . . . ? C14 C13 Ru3 Cl4 117.6(13) . . . . ? C18 C13 Ru3 Cl4 -14.5(17) . . . . ? C49 C13 Ru3 Cl4 -127.9(13) . . . . ? C15 C16 Ru3 N3 -149.3(8) . . . . ? C17 C16 Ru3 N3 -16.5(12) . . . . ? C52 C16 Ru3 N3 96.7(13) . . . . ? C15 C16 Ru3 C14 -28.6(8) . . . . ? C17 C16 Ru3 C14 104.2(8) . . . . ? C52 C16 Ru3 C14 -142.6(13) . . . . ? C15 C16 Ru3 C18 -104.5(8) . . . . ? C17 C16 Ru3 C18 28.3(7) . . . . ? C52 C16 Ru3 C18 141.6(13) . . . . ? C15 C16 Ru3 C17 -132.8(11) . . . . ? C52 C16 Ru3 C17 113.2(14) . . . . ? C15 C16 Ru3 C13 -66.4(8) . . . . ? C17 C16 Ru3 C13 66.3(7) . . . . ? C52 C16 Ru3 C13 179.6(12) . . . . ? C17 C16 Ru3 C15 132.8(11) . . . . ? C52 C16 Ru3 C15 -114.0(14) . . . . ? C15 C16 Ru3 Cl3 46.9(8) . . . . ? C17 C16 Ru3 Cl3 179.7(6) . . . . ? C52 C16 Ru3 Cl3 -67.0(12) . . . . ? C15 C16 Ru3 Cl4 125.8(7) . . . . ? C17 C16 Ru3 Cl4 -101.4(7) . . . . ? C52 C16 Ru3 Cl4 11.8(11) . . . . ? C16 C15 Ru3 N3 124.3(12) . . . . ? C14 C15 Ru3 N3 -9.4(16) . . . . ? C51 C15 Ru3 N3 -119.0(15) . . . . ? C16 C15 Ru3 C14 133.8(11) . . . . ? C51 C15 Ru3 C14 -109.6(14) . . . . ? C16 C15 Ru3 C18 65.1(8) . . . . ? C14 C15 Ru3 C18 -68.6(8) . . . . ? C51 C15 Ru3 C18 -178.2(12) . . . . ? C16 C15 Ru3 C17 29.1(7) . . . . ? C14 C15 Ru3 C17 -104.6(8) . . . . ? C51 C15 Ru3 C17 145.8(13) . . . . ? C16 C15 Ru3 C13 103.5(8) . . . . ? C14 C15 Ru3 C13 -30.3(7) . . . . ? C51 C15 Ru3 C13 -139.8(13) . . . . ? C14 C15 Ru3 C16 -133.8(11) . . . . ? C51 C15 Ru3 C16 116.7(15) . . . . ? C16 C15 Ru3 Cl3 -141.8(7) . . . . ? C14 C15 Ru3 Cl3 84.5(7) . . . . ? C51 C15 Ru3 Cl3 -25.1(12) . . . . ? C16 C15 Ru3 Cl4 -59.6(8) . . . . ? C14 C15 Ru3 Cl4 166.6(7) . . . . ? C51 C15 Ru3 Cl4 57.0(12) . . . . ? Ru4 Cl3 Ru3 N3 -86.2(2) . . . . ? Ru4 Cl3 Ru3 C14 149.9(3) . . . . ? Ru4 Cl3 Ru3 C18 -170.1(7) . . . . ? Ru4 Cl3 Ru3 C17 86.2(10) . . . . ? Ru4 Cl3 Ru3 C13 -179.6(4) . . . . ? Ru4 Cl3 Ru3 C16 85.6(4) . . . . ? Ru4 Cl3 Ru3 C15 112.1(3) . . . . ? Ru4 Cl3 Ru3 Cl4 2.50(9) . . . . ? Ru4 Cl4 Ru3 N3 84.9(2) . . . . ? Ru4 Cl4 Ru3 C14 -78.9(6) . . . . ? Ru4 Cl4 Ru3 C18 173.4(4) . . . . ? Ru4 Cl4 Ru3 C17 -162.8(3) . . . . ? Ru4 Cl4 Ru3 C13 -175.4(13) . . . . ? Ru4 Cl4 Ru3 C16 -125.4(3) . . . . ? Ru4 Cl4 Ru3 C15 -93.8(3) . . . . ? Ru4 Cl4 Ru3 Cl3 -2.46(8) . . . . ? C101 N4 Ru4 C20 -65.8(9) . . . . ? C103 N4 Ru4 C20 101.9(8) . . . . ? C101 N4 Ru4 C19 -38.8(10) . . . . ? C103 N4 Ru4 C19 129.0(8) . . . . ? C101 N4 Ru4 C22 -132.1(9) . . . . ? C103 N4 Ru4 C22 35.6(9) . . . . ? C101 N4 Ru4 C21 -103.7(9) . . . . ? C103 N4 Ru4 C21 64.0(8) . . . . ? C101 N4 Ru4 C23 -137.6(11) . . . . ? C103 N4 Ru4 C23 30.1(14) . . . . ? C101 N4 Ru4 C24 -40.2(14) . . . . ? C103 N4 Ru4 C24 127.5(10) . . . . ? C101 N4 Ru4 Cl3 53.2(8) . . . . ? C103 N4 Ru4 Cl3 -139.1(8) . . . . ? C101 N4 Ru4 Cl4 134.5(8) . . . . ? C103 N4 Ru4 Cl4 -57.8(7) . . . . ? C19 C20 Ru4 N4 137.5(9) . . . . ? C21 C20 Ru4 N4 -89.2(8) . . . . ? C56 C20 Ru4 N4 28.3(17) . . . . ? C21 C20 Ru4 C19 133.4(12) . . . . ? C56 C20 Ru4 C19 -109(2) . . . . ? C19 C20 Ru4 C22 -105.7(9) . . . . ? C21 C20 Ru4 C22 27.6(7) . . . . ? C56 C20 Ru4 C22 145.1(18) . . . . ? C19 C20 Ru4 C21 -133.4(12) . . . . ? C56 C20 Ru4 C21 118(2) . . . . ? C19 C20 Ru4 C23 -67.0(9) . . . . ? C21 C20 Ru4 C23 66.4(8) . . . . ? C56 C20 Ru4 C23 -176.1(18) . . . . ? C19 C20 Ru4 C24 -31.5(8) . . . . ? C21 C20 Ru4 C24 101.9(8) . . . . ? C56 C20 Ru4 C24 -140.6(18) . . . . ? C19 C20 Ru4 Cl3 49.4(9) . . . . ? C21 C20 Ru4 Cl3 -177.2(6) . . . . ? C56 C20 Ru4 Cl3 -59.7(18) . . . . ? C19 C20 Ru4 Cl4 -142.0(10) . . . . ? C21 C20 Ru4 Cl4 -8.7(16) . . . . ? C56 C20 Ru4 Cl4 108.9(17) . . . . ? C20 C19 Ru4 N4 -49.5(9) . . . . ? C24 C19 Ru4 N4 -179.1(7) . . . . ? C55 C19 Ru4 N4 68.0(19) . . . . ? C24 C19 Ru4 C20 -129.6(12) . . . . ? C55 C19 Ru4 C20 117(2) . . . . ? C20 C19 Ru4 C22 64.6(9) . . . . ? C24 C19 Ru4 C22 -65.0(8) . . . . ? C55 C19 Ru4 C22 -178.0(19) . . . . ? C20 C19 Ru4 C21 28.9(8) . . . . ? C24 C19 Ru4 C21 -100.7(8) . . . . ? C55 C19 Ru4 C21 146(2) . . . . ? C20 C19 Ru4 C23 103.5(9) . . . . ? C24 C19 Ru4 C23 -26.1(7) . . . . ? C55 C19 Ru4 C23 -139(2) . . . . ? C20 C19 Ru4 C24 129.6(12) . . . . ? C55 C19 Ru4 C24 -113(2) . . . . ? C20 C19 Ru4 Cl3 -138.4(8) . . . . ? C24 C19 Ru4 Cl3 92.1(7) . . . . ? C55 C19 Ru4 Cl3 -20.9(18) . . . . ? C20 C19 Ru4 Cl4 147.4(9) . . . . ? C24 C19 Ru4 Cl4 17.8(14) . . . . ? C55 C19 Ru4 Cl4 -95.1(19) . . . . ? C21 C22 Ru4 N4 52.3(8) . . . . ? C23 C22 Ru4 N4 -176.3(7) . . . . ? C58 C22 Ru4 N4 -64.8(14) . . . . ? C21 C22 Ru4 C20 -28.3(8) . . . . ? C23 C22 Ru4 C20 103.2(9) . . . . ? C58 C22 Ru4 C20 -145.4(14) . . . . ? C21 C22 Ru4 C19 -63.9(8) . . . . ? C23 C22 Ru4 C19 67.6(9) . . . . ? C58 C22 Ru4 C19 179.0(14) . . . . ? C23 C22 Ru4 C21 131.4(11) . . . . ? C58 C22 Ru4 C21 -117.1(15) . . . . ? C21 C22 Ru4 C23 -131.4(11) . . . . ? C58 C22 Ru4 C23 111.5(17) . . . . ? C21 C22 Ru4 C24 -101.6(9) . . . . ? C23 C22 Ru4 C24 29.9(8) . . . . ? C58 C22 Ru4 C24 141.3(15) . . . . ? C21 C22 Ru4 Cl3 -141.1(8) . . . . ? C23 C22 Ru4 Cl3 -9.7(14) . . . . ? C58 C22 Ru4 Cl3 101.8(13) . . . . ? C21 C22 Ru4 Cl4 139.7(7) . . . . ? C23 C22 Ru4 Cl4 -88.9(8) . . . . ? C58 C22 Ru4 Cl4 22.6(13) . . . . ? C22 C21 Ru4 N4 -134.3(7) . . . . ? C20 C21 Ru4 N4 91.4(8) . . . . ? C57 C21 Ru4 N4 -23.7(16) . . . . ? C22 C21 Ru4 C20 134.3(11) . . . . ? C57 C21 Ru4 C20 -115.1(19) . . . . ? C22 C21 Ru4 C19 106.2(9) . . . . ? C20 C21 Ru4 C19 -28.1(8) . . . . ? C57 C21 Ru4 C19 -143.2(17) . . . . ? C20 C21 Ru4 C22 -134.3(11) . . . . ? C57 C21 Ru4 C22 110.6(18) . . . . ? C22 C21 Ru4 C23 30.8(7) . . . . ? C20 C21 Ru4 C23 -103.5(9) . . . . ? C57 C21 Ru4 C23 141.3(17) . . . . ? C22 C21 Ru4 C24 67.6(8) . . . . ? C20 C21 Ru4 C24 -66.7(9) . . . . ? C57 C21 Ru4 C24 178.1(17) . . . . ? C22 C21 Ru4 Cl3 140.4(8) . . . . ? C20 C21 Ru4 Cl3 6.1(13) . . . . ? C57 C21 Ru4 Cl3 -109.0(15) . . . . ? C22 C21 Ru4 Cl4 -49.3(8) . . . . ? C20 C21 Ru4 Cl4 176.4(7) . . . . ? C57 C21 Ru4 Cl4 61.3(17) . . . . ? C24 C23 Ru4 N4 137.4(11) . . . . ? C59 C23 Ru4 N4 -104.4(18) . . . . ? C22 C23 Ru4 N4 7.8(15) . . . . ? C24 C23 Ru4 C20 63.4(9) . . . . ? C59 C23 Ru4 C20 -178.4(18) . . . . ? C22 C23 Ru4 C20 -66.1(8) . . . . ? C24 C23 Ru4 C19 27.4(9) . . . . ? C59 C23 Ru4 C19 145.6(19) . . . . ? C22 C23 Ru4 C19 -102.2(9) . . . . ? C24 C23 Ru4 C22 129.6(13) . . . . ? C59 C23 Ru4 C22 -112(2) . . . . ? C24 C23 Ru4 C21 100.6(10) . . . . ? C59 C23 Ru4 C21 -141.2(19) . . . . ? C22 C23 Ru4 C21 -29.0(8) . . . . ? C59 C23 Ru4 C24 118(2) . . . . ? C22 C23 Ru4 C24 -129.6(13) . . . . ? C24 C23 Ru4 Cl3 -54.8(9) . . . . ? C59 C23 Ru4 Cl3 63.4(18) . . . . ? C22 C23 Ru4 Cl3 175.7(7) . . . . ? C24 C23 Ru4 Cl4 -136.4(9) . . . . ? C59 C23 Ru4 Cl4 -18.2(18) . . . . ? C22 C23 Ru4 Cl4 94.0(8) . . . . ? C23 C24 Ru4 N4 -134.5(10) . . . . ? C19 C24 Ru4 N4 2.0(14) . . . . ? C60 C24 Ru4 N4 112.0(19) . . . . ? C23 C24 Ru4 C20 -106.5(9) . . . . ? C19 C24 Ru4 C20 30.0(8) . . . . ? C60 C24 Ru4 C20 140.0(19) . . . . ? C23 C24 Ru4 C19 -136.5(12) . . . . ? C60 C24 Ru4 C19 110(2) . . . . ? C23 C24 Ru4 C22 -31.9(8) . . . . ? C19 C24 Ru4 C22 104.6(9) . . . . ? C60 C24 Ru4 C22 -145(2) . . . . ? C23 C24 Ru4 C21 -68.8(9) . . . . ? C19 C24 Ru4 C21 67.7(8) . . . . ? C60 C24 Ru4 C21 177.8(19) . . . . ? C19 C24 Ru4 C23 136.5(12) . . . . ? C60 C24 Ru4 C23 -113(2) . . . . ? C23 C24 Ru4 Cl3 133.3(8) . . . . ? C19 C24 Ru4 Cl3 -90.2(8) . . . . ? C60 C24 Ru4 Cl3 19.9(18) . . . . ? C23 C24 Ru4 Cl4 51.5(9) . . . . ? C19 C24 Ru4 Cl4 -172.0(7) . . . . ? C60 C24 Ru4 Cl4 -61.9(19) . . . . ? Ru3 Cl3 Ru4 N4 83.3(2) . . . . ? Ru3 Cl3 Ru4 C20 173.5(5) . . . . ? Ru3 Cl3 Ru4 C19 -159.5(5) . . . . ? Ru3 Cl3 Ru4 C22 -84.5(9) . . . . ? Ru3 Cl3 Ru4 C21 169.2(8) . . . . ? Ru3 Cl3 Ru4 C23 -91.4(4) . . . . ? Ru3 Cl3 Ru4 C24 -120.8(5) . . . . ? Ru3 Cl3 Ru4 Cl4 -2.50(9) . . . . ? Ru3 Cl4 Ru4 N4 -85.9(2) . . . . ? Ru3 Cl4 Ru4 C20 -167.4(11) . . . . ? Ru3 Cl4 Ru4 C19 79.1(9) . . . . ? Ru3 Cl4 Ru4 C22 159.1(3) . . . . ? Ru3 Cl4 Ru4 C21 -173.7(4) . . . . ? Ru3 Cl4 Ru4 C23 119.6(4) . . . . ? Ru3 Cl4 Ru4 C24 91.6(4) . . . . ? Ru3 Cl4 Ru4 Cl3 2.47(9) . . . . ? C90 N5 Ru5 C29 -136.8(9) . . . . ? C88 N5 Ru5 C29 39.2(10) . . . . ? C90 N5 Ru5 C25 -70.1(9) . . . . ? C88 N5 Ru5 C25 105.9(9) . . . . ? C90 N5 Ru5 C26 -42.1(10) . . . . ? C88 N5 Ru5 C26 133.9(9) . . . . ? C90 N5 Ru5 C30 -108.9(9) . . . . ? C88 N5 Ru5 C30 67.1(9) . . . . ? C90 N5 Ru5 C28 -141.5(10) . . . . ? C88 N5 Ru5 C28 34.5(14) . . . . ? C90 N5 Ru5 C27 -41.5(15) . . . . ? C88 N5 Ru5 C27 134.5(11) . . . . ? C90 N5 Ru5 Cl5 130.0(9) . . . . ? C88 N5 Ru5 Cl5 -54.0(9) . . . . ? C90 N5 Ru5 Cl6 49.6(9) . . . . ? C88 N5 Ru5 Cl6 -134.4(9) . . . . ? C30 C29 Ru5 N5 50.8(7) . . . . ? C28 C29 Ru5 N5 -176.7(6) . . . . ? C65 C29 Ru5 N5 -63.3(11) . . . . ? C30 C29 Ru5 C25 -29.2(6) . . . . ? C28 C29 Ru5 C25 103.3(7) . . . . ? C65 C29 Ru5 C25 -143.3(11) . . . . ? C30 C29 Ru5 C26 -66.8(7) . . . . ? C28 C29 Ru5 C26 65.7(7) . . . . ? C65 C29 Ru5 C26 179.1(11) . . . . ? C28 C29 Ru5 C30 132.5(10) . . . . ? C65 C29 Ru5 C30 -114.2(12) . . . . ? C30 C29 Ru5 C28 -132.5(10) . . . . ? C65 C29 Ru5 C28 113.4(14) . . . . ? C30 C29 Ru5 C27 -102.9(7) . . . . ? C28 C29 Ru5 C27 29.6(7) . . . . ? C65 C29 Ru5 C27 143.0(12) . . . . ? C30 C29 Ru5 Cl5 140.1(6) . . . . ? C28 C29 Ru5 Cl5 -87.4(6) . . . . ? C65 C29 Ru5 Cl5 26.0(10) . . . . ? C30 C29 Ru5 Cl6 -144.5(7) . . . . ? C28 C29 Ru5 Cl6 -12.1(12) . . . . ? C65 C29 Ru5 Cl6 101.3(10) . . . . ? C26 C25 Ru5 N5 138.2(7) . . . . ? C30 C25 Ru5 N5 -90.8(6) . . . . ? C61 C25 Ru5 N5 23.4(12) . . . . ? C26 C25 Ru5 C29 -103.1(7) . . . . ? C30 C25 Ru5 C29 27.9(6) . . . . ? C61 C25 Ru5 C29 142.1(13) . . . . ? C30 C25 Ru5 C26 131.0(10) . . . . ? C61 C25 Ru5 C26 -114.8(15) . . . . ? C26 C25 Ru5 C30 -131.0(10) . . . . ? C61 C25 Ru5 C30 114.2(14) . . . . ? C26 C25 Ru5 C28 -65.8(7) . . . . ? C30 C25 Ru5 C28 65.2(7) . . . . ? C61 C25 Ru5 C28 179.4(13) . . . . ? C26 C25 Ru5 C27 -29.5(6) . . . . ? C30 C25 Ru5 C27 101.5(7) . . . . ? C61 C25 Ru5 C27 -144.3(13) . . . . ? C26 C25 Ru5 Cl5 -135.7(8) . . . . ? C30 C25 Ru5 Cl5 -4.7(13) . . . . ? C61 C25 Ru5 Cl5 109.5(13) . . . . ? C26 C25 Ru5 Cl6 51.2(7) . . . . ? C30 C25 Ru5 Cl6 -177.8(5) . . . . ? C61 C25 Ru5 Cl6 -63.6(12) . . . . ? C27 C26 Ru5 N5 179.6(6) . . . . ? C25 C26 Ru5 N5 -49.4(8) . . . . ? C62 C26 Ru5 N5 65.0(12) . . . . ? C27 C26 Ru5 C29 -64.2(7) . . . . ? C25 C26 Ru5 C29 66.8(7) . . . . ? C62 C26 Ru5 C29 -178.9(12) . . . . ? C27 C26 Ru5 C25 -131.0(10) . . . . ? C62 C26 Ru5 C25 114.3(14) . . . . ? C27 C26 Ru5 C30 -100.6(8) . . . . ? C25 C26 Ru5 C30 30.4(7) . . . . ? C62 C26 Ru5 C30 144.8(12) . . . . ? C27 C26 Ru5 C28 -27.1(7) . . . . ? C25 C26 Ru5 C28 103.9(7) . . . . ? C62 C26 Ru5 C28 -141.8(12) . . . . ? C25 C26 Ru5 C27 131.0(10) . . . . ? C62 C26 Ru5 C27 -114.7(14) . . . . ? C27 C26 Ru5 Cl5 17.3(12) . . . . ? C25 C26 Ru5 Cl5 148.3(6) . . . . ? C62 C26 Ru5 Cl5 -97.4(12) . . . . ? C27 C26 Ru5 Cl6 91.6(7) . . . . ? C25 C26 Ru5 Cl6 -137.4(6) . . . . ? C62 C26 Ru5 Cl6 -23.0(11) . . . . ? C29 C30 Ru5 N5 -136.3(6) . . . . ? C25 C30 Ru5 N5 90.1(6) . . . . ? C66 C30 Ru5 N5 -17.1(13) . . . . ? C25 C30 Ru5 C29 -133.5(9) . . . . ? C66 C30 Ru5 C29 119.2(15) . . . . ? C29 C30 Ru5 C25 133.5(9) . . . . ? C66 C30 Ru5 C25 -107.3(15) . . . . ? C29 C30 Ru5 C26 103.5(7) . . . . ? C25 C30 Ru5 C26 -30.0(6) . . . . ? C66 C30 Ru5 C26 -137.3(14) . . . . ? C29 C30 Ru5 C28 29.4(6) . . . . ? C25 C30 Ru5 C28 -104.2(7) . . . . ? C66 C30 Ru5 C28 148.6(14) . . . . ? C29 C30 Ru5 C27 66.4(6) . . . . ? C25 C30 Ru5 C27 -67.2(7) . . . . ? C66 C30 Ru5 C27 -174.4(13) . . . . ? C29 C30 Ru5 Cl5 -48.4(7) . . . . ? C25 C30 Ru5 Cl5 178.1(5) . . . . ? C66 C30 Ru5 Cl5 70.9(13) . . . . ? C29 C30 Ru5 Cl6 138.7(7) . . . . ? C25 C30 Ru5 Cl6 5.1(12) . . . . ? C66 C30 Ru5 Cl6 -102.1(14) . . . . ? C29 C28 Ru5 N5 7.0(13) . . . . ? C27 C28 Ru5 N5 138.1(9) . . . . ? C64 C28 Ru5 N5 -104.3(13) . . . . ? C27 C28 Ru5 C29 131.1(10) . . . . ? C64 C28 Ru5 C29 -111.3(14) . . . . ? C29 C28 Ru5 C25 -66.7(7) . . . . ? C27 C28 Ru5 C25 64.5(7) . . . . ? C64 C28 Ru5 C25 -177.9(12) . . . . ? C29 C28 Ru5 C26 -104.1(8) . . . . ? C27 C28 Ru5 C26 27.0(7) . . . . ? C64 C28 Ru5 C26 144.6(13) . . . . ? C29 C28 Ru5 C30 -28.7(7) . . . . ? C27 C28 Ru5 C30 102.4(8) . . . . ? C64 C28 Ru5 C30 -140.0(13) . . . . ? C29 C28 Ru5 C27 -131.1(10) . . . . ? C64 C28 Ru5 C27 117.6(14) . . . . ? C29 C28 Ru5 Cl5 94.5(6) . . . . ? C27 C28 Ru5 Cl5 -134.3(7) . . . . ? C64 C28 Ru5 Cl5 -16.8(11) . . . . ? C29 C28 Ru5 Cl6 174.3(6) . . . . ? C27 C28 Ru5 Cl6 -54.5(7) . . . . ? C64 C28 Ru5 Cl6 63.1(12) . . . . ? C26 C27 Ru5 N5 -0.8(13) . . . . ? C28 C27 Ru5 N5 -136.5(9) . . . . ? C63 C27 Ru5 N5 110.5(14) . . . . ? C26 C27 Ru5 C29 105.6(8) . . . . ? C28 C27 Ru5 C29 -30.1(7) . . . . ? C63 C27 Ru5 C29 -143.1(13) . . . . ? C26 C27 Ru5 C25 30.3(7) . . . . ? C28 C27 Ru5 C25 -105.4(8) . . . . ? C63 C27 Ru5 C25 141.6(13) . . . . ? C28 C27 Ru5 C26 -135.7(11) . . . . ? C63 C27 Ru5 C26 111.3(14) . . . . ? C26 C27 Ru5 C30 69.0(7) . . . . ? C28 C27 Ru5 C30 -66.7(7) . . . . ? C63 C27 Ru5 C30 -179.7(13) . . . . ? C26 C27 Ru5 C28 135.7(11) . . . . ? C63 C27 Ru5 C28 -113.0(15) . . . . ? C26 C27 Ru5 Cl5 -171.3(6) . . . . ? C28 C27 Ru5 Cl5 53.0(7) . . . . ? C63 C27 Ru5 Cl5 -60.0(12) . . . . ? C26 C27 Ru5 Cl6 -90.5(7) . . . . ? C28 C27 Ru5 Cl6 133.8(7) . . . . ? C63 C27 Ru5 Cl6 20.8(12) . . . . ? Ru6 Cl5 Ru5 N5 -85.8(2) . . . . ? Ru6 Cl5 Ru5 C29 157.2(3) . . . . ? Ru6 Cl5 Ru5 C25 -172.6(9) . . . . ? Ru6 Cl5 Ru5 C26 78.8(7) . . . . ? Ru6 Cl5 Ru5 C30 -176.0(3) . . . . ? Ru6 Cl5 Ru5 C28 119.3(3) . . . . ? Ru6 Cl5 Ru5 C27 90.3(3) . . . . ? Ru6 Cl5 Ru5 Cl6 1.42(8) . . . . ? Ru6 Cl6 Ru5 N5 86.6(2) . . . . ? Ru6 Cl6 Ru5 C29 -79.7(7) . . . . ? Ru6 Cl6 Ru5 C25 176.2(3) . . . . ? Ru6 Cl6 Ru5 C26 -154.9(3) . . . . ? Ru6 Cl6 Ru5 C30 172.5(8) . . . . ? Ru6 Cl6 Ru5 C28 -88.1(3) . . . . ? Ru6 Cl6 Ru5 C27 -117.7(3) . . . . ? Ru6 Cl6 Ru5 Cl5 -1.42(8) . . . . ? C106 N6 Ru6 C32 37.1(10) . . . . ? C108 N6 Ru6 C32 -132.9(9) . . . . ? C106 N6 Ru6 C31 66.6(9) . . . . ? C108 N6 Ru6 C31 -103.4(9) . . . . ? C106 N6 Ru6 C36 105.1(9) . . . . ? C108 N6 Ru6 C36 -64.8(9) . . . . ? C106 N6 Ru6 C35 130.7(9) . . . . ? C108 N6 Ru6 C35 -39.3(10) . . . . ? C106 N6 Ru6 C33 29.7(13) . . . . ? C108 N6 Ru6 C33 -140.3(9) . . . . ? C106 N6 Ru6 C34 128.3(13) . . . . ? C108 N6 Ru6 C34 -41.7(17) . . . . ? C106 N6 Ru6 Cl6 -58.1(8) . . . . ? C108 N6 Ru6 Cl6 132.0(8) . . . . ? C106 N6 Ru6 Cl5 -138.5(8) . . . . ? C108 N6 Ru6 Cl5 51.5(8) . . . . ? C31 C32 Ru6 N6 53.8(8) . . . . ? C33 C32 Ru6 N6 -174.0(6) . . . . ? C68 C32 Ru6 N6 -60.2(12) . . . . ? C33 C32 Ru6 C31 132.2(11) . . . . ? C68 C32 Ru6 C31 -114.0(15) . . . . ? C31 C32 Ru6 C36 -29.4(8) . . . . ? C33 C32 Ru6 C36 102.8(8) . . . . ? C68 C32 Ru6 C36 -143.3(13) . . . . ? C31 C32 Ru6 C35 -66.4(8) . . . . ? C33 C32 Ru6 C35 65.8(7) . . . . ? C68 C32 Ru6 C35 179.7(12) . . . . ? C31 C32 Ru6 C33 -132.2(11) . . . . ? C68 C32 Ru6 C33 113.8(14) . . . . ? C31 C32 Ru6 C34 -104.3(8) . . . . ? C33 C32 Ru6 C34 27.9(7) . . . . ? C68 C32 Ru6 C34 141.7(13) . . . . ? C31 C32 Ru6 Cl6 143.6(7) . . . . ? C33 C32 Ru6 Cl6 -84.2(7) . . . . ? C68 C32 Ru6 Cl6 29.6(12) . . . . ? C31 C32 Ru6 Cl5 -138.1(8) . . . . ? C33 C32 Ru6 Cl5 -5.9(14) . . . . ? C68 C32 Ru6 Cl5 107.9(13) . . . . ? C32 C31 Ru6 N6 -132.4(8) . . . . ? C36 C31 Ru6 N6 94.7(7) . . . . ? C67 C31 Ru6 N6 -19.1(13) . . . . ? C36 C31 Ru6 C32 -132.9(11) . . . . ? C67 C31 Ru6 C32 113.2(16) . . . . ? C32 C31 Ru6 C36 132.9(11) . . . . ? C67 C31 Ru6 C36 -113.8(15) . . . . ? C32 C31 Ru6 C35 103.5(8) . . . . ? C36 C31 Ru6 C35 -29.5(7) . . . . ? C67 C31 Ru6 C35 -143.3(14) . . . . ? C32 C31 Ru6 C33 29.0(7) . . . . ? C36 C31 Ru6 C33 -103.9(8) . . . . ? C67 C31 Ru6 C33 142.3(14) . . . . ? C32 C31 Ru6 C34 65.6(8) . . . . ? C36 C31 Ru6 C34 -67.3(7) . . . . ? C67 C31 Ru6 C34 178.9(13) . . . . ? C32 C31 Ru6 Cl6 -45.8(8) . . . . ? C36 C31 Ru6 Cl6 -178.7(6) . . . . ? C67 C31 Ru6 Cl6 67.4(13) . . . . ? C32 C31 Ru6 Cl5 144.3(7) . . . . ? C36 C31 Ru6 Cl5 11.4(12) . . . . ? C67 C31 Ru6 Cl5 -102.4(14) . . . . ? C35 C36 Ru6 N6 142.8(7) . . . . ? C31 C36 Ru6 N6 -85.9(7) . . . . ? C72 C36 Ru6 N6 23.5(14) . . . . ? C35 C36 Ru6 C32 -102.7(8) . . . . ? C31 C36 Ru6 C32 28.6(7) . . . . ? C72 C36 Ru6 C32 138.0(15) . . . . ? C35 C36 Ru6 C31 -131.3(10) . . . . ? C72 C36 Ru6 C31 109.4(16) . . . . ? C31 C36 Ru6 C35 131.3(10) . . . . ? C72 C36 Ru6 C35 -119.3(17) . . . . ? C35 C36 Ru6 C33 -66.0(8) . . . . ? C31 C36 Ru6 C33 65.3(7) . . . . ? C72 C36 Ru6 C33 174.7(15) . . . . ? C35 C36 Ru6 C34 -28.8(7) . . . . ? C31 C36 Ru6 C34 102.5(8) . . . . ? C72 C36 Ru6 C34 -148.1(15) . . . . ? C35 C36 Ru6 Cl6 -127.7(11) . . . . ? C31 C36 Ru6 Cl6 3.6(16) . . . . ? C72 C36 Ru6 Cl6 113.0(15) . . . . ? C35 C36 Ru6 Cl5 54.1(8) . . . . ? C31 C36 Ru6 Cl5 -174.6(5) . . . . ? C72 C36 Ru6 Cl5 -65.2(15) . . . . ? C36 C35 Ru6 N6 -44.9(9) . . . . ? C34 C35 Ru6 N6 -178.7(7) . . . . ? C71 C35 Ru6 N6 69.2(13) . . . . ? C36 C35 Ru6 C32 67.3(8) . . . . ? C34 C35 Ru6 C32 -66.5(8) . . . . ? C71 C35 Ru6 C32 -178.5(13) . . . . ? C36 C35 Ru6 C31 30.3(7) . . . . ? C34 C35 Ru6 C31 -103.4(8) . . . . ? C71 C35 Ru6 C31 144.5(13) . . . . ? C34 C35 Ru6 C36 -133.7(12) . . . . ? C71 C35 Ru6 C36 114.2(15) . . . . ? C36 C35 Ru6 C33 103.8(8) . . . . ? C34 C35 Ru6 C33 -30.0(8) . . . . ? C71 C35 Ru6 C33 -142.1(14) . . . . ? C36 C35 Ru6 C34 133.7(12) . . . . ? C71 C35 Ru6 C34 -112.1(16) . . . . ? C36 C35 Ru6 Cl6 152.7(6) . . . . ? C34 C35 Ru6 Cl6 19.0(12) . . . . ? C71 C35 Ru6 Cl6 -93.1(13) . . . . ? C36 C35 Ru6 Cl5 -133.4(7) . . . . ? C34 C35 Ru6 Cl5 92.8(8) . . . . ? C71 C35 Ru6 Cl5 -19.3(12) . . . . ? C32 C33 Ru6 N6 11.2(12) . . . . ? C34 C33 Ru6 N6 145.9(8) . . . . ? C69 C33 Ru6 N6 -103.4(14) . . . . ? C34 C33 Ru6 C32 134.7(11) . . . . ? C69 C33 Ru6 C32 -114.6(16) . . . . ? C32 C33 Ru6 C31 -29.3(7) . . . . ? C34 C33 Ru6 C31 105.4(8) . . . . ? C69 C33 Ru6 C31 -143.9(14) . . . . ? C32 C33 Ru6 C36 -67.2(8) . . . . ? C34 C33 Ru6 C36 67.4(8) . . . . ? C69 C33 Ru6 C36 178.2(14) . . . . ? C32 C33 Ru6 C35 -104.1(8) . . . . ? C34 C33 Ru6 C35 30.6(7) . . . . ? C69 C33 Ru6 C35 141.4(14) . . . . ? C32 C33 Ru6 C34 -134.7(11) . . . . ? C69 C33 Ru6 C34 110.8(16) . . . . ? C32 C33 Ru6 Cl6 98.1(7) . . . . ? C34 C33 Ru6 Cl6 -127.3(7) . . . . ? C69 C33 Ru6 Cl6 -16.5(13) . . . . ? C32 C33 Ru6 Cl5 177.4(6) . . . . ? C34 C33 Ru6 Cl5 -47.9(8) . . . . ? C69 C33 Ru6 Cl5 62.9(13) . . . . ? C33 C34 Ru6 N6 -127.3(12) . . . . ? C35 C34 Ru6 N6 3.3(17) . . . . ? C70 C34 Ru6 N6 115.7(15) . . . . ? C33 C34 Ru6 C32 -27.6(7) . . . . ? C35 C34 Ru6 C32 103.0(9) . . . . ? C70 C34 Ru6 C32 -144.6(14) . . . . ? C33 C34 Ru6 C31 -64.3(7) . . . . ? C35 C34 Ru6 C31 66.3(8) . . . . ? C70 C34 Ru6 C31 178.7(14) . . . . ? C33 C34 Ru6 C36 -102.5(8) . . . . ? C35 C34 Ru6 C36 28.1(8) . . . . ? C70 C34 Ru6 C36 140.5(14) . . . . ? C33 C34 Ru6 C35 -130.6(11) . . . . ? C70 C34 Ru6 C35 112.4(16) . . . . ? C35 C34 Ru6 C33 130.6(11) . . . . ? C70 C34 Ru6 C33 -117.0(16) . . . . ? C33 C34 Ru6 Cl6 59.5(8) . . . . ? C35 C34 Ru6 Cl6 -169.9(7) . . . . ? C70 C34 Ru6 Cl6 -57.5(14) . . . . ? C33 C34 Ru6 Cl5 140.4(7) . . . . ? C35 C34 Ru6 Cl5 -89.0(8) . . . . ? C70 C34 Ru6 Cl5 23.4(13) . . . . ? Ru5 Cl6 Ru6 N6 -86.7(2) . . . . ? Ru5 Cl6 Ru6 C32 159.7(4) . . . . ? Ru5 Cl6 Ru6 C31 -174.2(4) . . . . ? Ru5 Cl6 Ru6 C36 -176.9(12) . . . . ? Ru5 Cl6 Ru6 C35 78.2(7) . . . . ? Ru5 Cl6 Ru6 C33 122.7(4) . . . . ? Ru5 Cl6 Ru6 C34 90.9(4) . . . . ? Ru5 Cl6 Ru6 Cl5 1.42(8) . . . . ? Ru5 Cl5 Ru6 N6 86.5(2) . . . . ? Ru5 Cl5 Ru6 C32 -82.7(9) . . . . ? Ru5 Cl5 Ru6 C31 170.1(7) . . . . ? Ru5 Cl5 Ru6 C36 178.0(4) . . . . ? Ru5 Cl5 Ru6 C35 -152.4(3) . . . . ? Ru5 Cl5 Ru6 C33 -86.8(4) . . . . ? Ru5 Cl5 Ru6 C34 -113.8(3) . . . . ? Ru5 Cl5 Ru6 Cl6 -1.42(8) . . . . ? O103 S101 C111 F102 -178.3 . . . . ? O102 S101 C111 F102 -59.9 . . . . ? O101 S101 C111 F102 62.4 . . . . ? O103 S101 C111 F101 60.1 . . . . ? O102 S101 C111 F101 178.6 . . . . ? O101 S101 C111 F101 -59.2 . . . . ? O103 S101 C111 F103 -57.9 . . . . ? O102 S101 C111 F103 60.6 . . . . ? O101 S101 C111 F103 -177.2 . . . . ? O106 S102 C112 F105 -178.3 . . . . ? O105 S102 C112 F105 -59.9 . . . . ? O104 S102 C112 F105 62.4 . . . . ? O106 S102 C112 F104 60.2 . . . . ? O105 S102 C112 F104 178.6 . . . . ? O104 S102 C112 F104 -59.2 . . . . ? O106 S102 C112 F106 -57.9 . . . . ? O105 S102 C112 F106 60.6 . . . . ? O104 S102 C112 F106 -177.2 . . . . ? O109 S103 C113 F108 -178.3 . . . . ? O108 S103 C113 F108 -59.9 . . . . ? O107 S103 C113 F108 62.4 . . . . ? O109 S103 C113 F107 60.1 . . . . ? O108 S103 C113 F107 178.6 . . . . ? O107 S103 C113 F107 -59.2 . . . . ? O109 S103 C113 F109 -57.9 . . . . ? O108 S103 C113 F109 60.6 . . . . ? O107 S103 C113 F109 -177.2 . . . . ? O112 S104 C114 F111 -178.3 . . . . ? O111 S104 C114 F111 -59.9 . . . . ? O110 S104 C114 F111 62.4 . . . . ? O112 S104 C114 F110 60.1 . . . . ? O111 S104 C114 F110 178.6 . . . . ? O110 S104 C114 F110 -59.2 . . . . ? O112 S104 C114 F112 -57.9 . . . . ? O111 S104 C114 F112 60.6 . . . . ? O110 S104 C114 F112 -177.2 . . . . ? O115 S105 C115 F114 -178.3 . . . . ? O114 S105 C115 F114 -59.9 . . . . ? O113 S105 C115 F114 62.4 . . . . ? O115 S105 C115 F113 60.1 . . . . ? O114 S105 C115 F113 178.6 . . . . ? O113 S105 C115 F113 -59.2 . . . . ? O115 S105 C115 F115 -57.9 . . . . ? O114 S105 C115 F115 60.6 . . . . ? O113 S105 C115 F115 -177.2 . . . . ? O118 S106 C116 F117 -178.3 . . . . ? O117 S106 C116 F117 -59.9 . . . . ? O116 S106 C116 F117 62.4 . . . . ? O118 S106 C116 F116 60.1 . . . . ? O117 S106 C116 F116 178.6 . . . . ? O116 S106 C116 F116 -59.2 . . . . ? O118 S106 C116 F118 -57.9 . . . . ? O117 S106 C116 F118 60.6 . . . . ? O116 S106 C116 F118 -177.2 . . . . ? _diffrn_measured_fraction_theta_max 0.990 _diffrn_reflns_theta_full 25.97 _diffrn_measured_fraction_theta_full 0.990 _refine_diff_density_max 3.705 _refine_diff_density_min -1.639 _refine_diff_density_rms 0.166 data_d:compound1 _database_code_depnum_ccdc_archive 'CCDC 614959' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C102 H108 N12 O12 Ru6, (C F3 O3 S)6' _chemical_formula_sum 'C108 H108 F18 N12 O30 Ru6 S6' _chemical_formula_weight 3194.84 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' 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' _symmetry_cell_setting Trigonal _symmetry_space_group_name_H-M 'P 3c1' _symmetry_space_group_name_Hall 'P 3 -2"c' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x-y, z' '-y, -x, z+1/2' '-x+y, -x, z' 'x, x-y, z+1/2' '-x+y, y, z+1/2' _cell_length_a 18.100(3) _cell_length_b 18.100(3) _cell_length_c 25.705(5) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 120.00 _cell_volume 7293(2) _cell_formula_units_Z 2 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 8000 _cell_measurement_theta_min 2.00 _cell_measurement_theta_max 25.85 _exptl_crystal_description rod _exptl_crystal_colour orange _exptl_crystal_size_max 0.18 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.455 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3204 _exptl_absorpt_coefficient_mu 0.781 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; A crystal was mounted at 173K on a Stoe Image Plate Diffraction System (Stoe & Cie, 2000) using MoK\a graphite monochromated radiation. Image plate distance 70mm, \f oscillation scans 0 - 200\%, step \D\f = 0.8\%, 10 minutes per frame. ; _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'STOE IPDS' _diffrn_measurement_method 'phi oscillation' _diffrn_detector_area_resol_mean 0.81\%A _diffrn_standards_number 0 _diffrn_standards_interval_count ? _diffrn_standards_interval_time 0 _diffrn_standards_decay_% 0 _diffrn_reflns_number 12150 _diffrn_reflns_av_R_equivalents 0.0709 _diffrn_reflns_av_sigmaI/netI 0.1132 _diffrn_reflns_limit_h_min -22 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -31 _diffrn_reflns_limit_l_max 30 _diffrn_reflns_theta_min 2.05 _diffrn_reflns_theta_max 25.93 _reflns_number_total 6305 _reflns_number_gt 2910 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'EXPOSE (Stoe & Cie, 2000)' _computing_cell_refinement 'CELL (Stoe & Cie, 2000)' _computing_data_reduction 'INTEGRATE (Stoe & Cie, 2000)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'ORTEP-32 (Farrugia, 1997)' _computing_publication_material 'SHELXL-97 (Sheldrick, 1997)' _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^)+(0.0914P)^2^] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.43(6) _refine_ls_number_reflns 6305 _refine_ls_number_parameters 439 _refine_ls_number_restraints 4 _refine_ls_R_factor_all 0.1210 _refine_ls_R_factor_gt 0.0647 _refine_ls_wR_factor_ref 0.1713 _refine_ls_wR_factor_gt 0.1505 _refine_ls_goodness_of_fit_ref 0.831 _refine_ls_restrained_S_all 0.831 _refine_ls_shift/su_max 0.001 _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 C1 C 0.5098(19) 0.401(2) 0.3750(8) 0.144(3) Uani 1 1 d . . . C2 C 0.4351(18) 0.3807(18) 0.3980(7) 0.144(3) Uani 1 1 d . . . H2 H 0.4018 0.3276 0.4135 0.173 Uiso 1 1 calc R . . C3 C 0.4065(17) 0.4480(18) 0.3978(7) 0.144(3) Uani 1 1 d . . . H3 H 0.3553 0.4380 0.4125 0.173 Uiso 1 1 calc R . . C4 C 0.467(2) 0.530(2) 0.3725(7) 0.144(3) Uani 1 1 d . . . C5 C 0.5264(19) 0.536(2) 0.3541(7) 0.144(3) Uani 1 1 d . . . H5 H 0.5617 0.5894 0.3390 0.173 Uiso 1 1 calc R . . C6 C 0.5570(19) 0.4780(18) 0.3501(7) 0.144(3) Uani 1 1 d . . . H6 H 0.6062 0.4911 0.3317 0.173 Uiso 1 1 calc R . . C7 C 0.5331(19) 0.3335(17) 0.3790(7) 0.144(3) Uani 1 1 d . . . H7A H 0.5824 0.3530 0.4008 0.216 Uiso 1 1 calc R . . H7B H 0.5456 0.3208 0.3449 0.216 Uiso 1 1 calc R . . H7C H 0.4863 0.2831 0.3937 0.216 Uiso 1 1 calc R . . C8 C 0.4240(17) 0.5903(14) 0.3710(6) 0.144(3) Uani 1 1 d . . . H8 H 0.3625 0.5534 0.3655 0.173 Uiso 1 1 calc R . . C9 C 0.4565(15) 0.6469(14) 0.3287(6) 0.144(3) Uani 1 1 d . . . H9A H 0.5007 0.7015 0.3407 0.216 Uiso 1 1 calc R . . H9B H 0.4116 0.6528 0.3132 0.216 Uiso 1 1 calc R . . H9C H 0.4796 0.6249 0.3034 0.216 Uiso 1 1 calc R . . C10 C 0.4365(15) 0.6233(16) 0.4241(6) 0.144(3) Uani 1 1 d . . . H10A H 0.4468 0.6808 0.4235 0.216 Uiso 1 1 calc R . . H10B H 0.4846 0.6227 0.4394 0.216 Uiso 1 1 calc R . . H10C H 0.3864 0.5883 0.4444 0.216 Uiso 1 1 calc R . . C11 C 0.3727(15) 0.5101(15) 0.0575(7) 0.118(2) Uani 1 1 d . . . C12 C 0.4493(15) 0.5672(16) 0.0821(6) 0.118(2) Uani 1 1 d . . . H12 H 0.4551 0.6156 0.0985 0.141 Uiso 1 1 calc R . . C13 C 0.5170(15) 0.5510(16) 0.0817(6) 0.118(2) Uani 1 1 d . . . H13 H 0.5687 0.5896 0.0970 0.141 Uiso 1 1 calc R . . C14 C 0.5076(16) 0.4767(17) 0.0583(7) 0.118(2) Uani 1 1 d . . . C15 C 0.4388(14) 0.4207(15) 0.0296(7) 0.118(2) Uani 1 1 d . . . H15 H 0.4382 0.3753 0.0123 0.141 Uiso 1 1 calc R . . C16 C 0.3640(15) 0.4350(15) 0.0271(7) 0.118(2) Uani 1 1 d . . . H16 H 0.3154 0.3997 0.0079 0.141 Uiso 1 1 calc R . . C17 C 0.2971(13) 0.5186(15) 0.0657(6) 0.118(2) Uani 1 1 d . . . H17A H 0.3136 0.5722 0.0822 0.177 Uiso 1 1 calc R . . H17B H 0.2571 0.4728 0.0874 0.177 Uiso 1 1 calc R . . H17C H 0.2710 0.5163 0.0327 0.177 Uiso 1 1 calc R . . C18 C 0.5836(15) 0.4545(15) 0.0679(6) 0.118(2) Uani 1 1 d . . . H18 H 0.6029 0.4700 0.1039 0.141 Uiso 1 1 calc R . . C19 C 0.5630(15) 0.3662(15) 0.0604(6) 0.118(2) Uani 1 1 d . . . H19A H 0.5122 0.3289 0.0795 0.177 Uiso 1 1 calc R . . H19B H 0.6095 0.3596 0.0727 0.177 Uiso 1 1 calc R . . H19C H 0.5539 0.3522 0.0240 0.177 Uiso 1 1 calc R . . C20 C 0.6587(14) 0.5228(14) 0.0307(6) 0.118(2) Uani 1 1 d . . . H20A H 0.6605 0.5767 0.0327 0.177 Uiso 1 1 calc R . . H20B H 0.6478 0.5027 -0.0046 0.177 Uiso 1 1 calc R . . H20C H 0.7124 0.5297 0.0418 0.177 Uiso 1 1 calc R . . C21 C 0.3027(12) 0.2281(12) 0.3059(6) 0.083(5) Uani 1 1 d . . . H21 H 0.3533 0.2275 0.3110 0.099 Uiso 1 1 calc R . . C22 C 0.2336(9) 0.1567(9) 0.2989(4) 0.061(3) Uani 1 1 d . . . H22 H 0.2358 0.1065 0.2966 0.074 Uiso 1 1 calc R . . C23 C 0.1533(9) 0.1537(9) 0.2946(4) 0.057(3) Uani 1 1 d . . . C24 C 0.1555(10) 0.2321(10) 0.2943(4) 0.063(4) Uani 1 1 d . . . H24 H 0.1059 0.2349 0.2907 0.076 Uiso 1 1 calc R . . C25 C 0.2348(13) 0.3057(12) 0.2995(5) 0.084(5) Uani 1 1 d . . . H25 H 0.2375 0.3584 0.2981 0.100 Uiso 1 1 calc R . . C26 C 0.0708(10) 0.0719(9) 0.2896(4) 0.058(4) Uani 1 1 d . . . C27 C 0.2918(13) 0.2454(13) 0.1163(5) 0.089(5) Uani 1 1 d . . . H27 H 0.3429 0.2482 0.1070 0.107 Uiso 1 1 calc R . . C28 C 0.2225(11) 0.1650(9) 0.1206(4) 0.065(4) Uani 1 1 d . . . H28 H 0.2267 0.1170 0.1132 0.078 Uiso 1 1 calc R . . C29 C 0.1485(7) 0.1578(8) 0.1358(4) 0.051(3) Uani 1 1 d . . . C30 C 0.1459(10) 0.2339(9) 0.1451(4) 0.064(4) Uani 1 1 d . . . H30 H 0.0952 0.2320 0.1543 0.077 Uiso 1 1 calc R . . C31 C 0.2199(10) 0.3097(8) 0.1402(4) 0.060(4) Uani 1 1 d . . . H31 H 0.2187 0.3590 0.1488 0.072 Uiso 1 1 calc R . . C32 C 0.0695(9) 0.0742(9) 0.1405(3) 0.059(4) Uani 1 1 d . . . C33 C 0.4460(11) 0.4084(10) 0.2117(5) 0.073(5) Uani 1 1 d . . . C34 C 0.3953(9) 0.4566(9) 0.2192(6) 0.066(4) Uani 1 1 d . . . C35 C 0.713(2) 0.656(2) 0.2100(8) 0.147(11) Uani 1 1 d . . . C36 C 0.2924(14) 0.2492(15) -0.0952(6) 0.097(6) Uani 1 1 d . . . N1 N 0.3052(8) 0.3038(10) 0.3061(4) 0.078(4) Uani 1 1 d . . . N2 N 0.0771(7) 0.0018(8) 0.2891(3) 0.058(3) Uani 1 1 d . . . N3 N 0.2953(8) 0.3186(7) 0.1236(4) 0.067(3) Uani 1 1 d . . . N4 N 0.0789(7) 0.0062(7) 0.1407(3) 0.047(2) Uani 1 1 d . . . O1 O 0.4638(7) 0.3827(7) 0.2522(3) 0.077(3) Uani 1 1 d . . . O2 O 0.3797(7) 0.4702(6) 0.2651(3) 0.074(3) Uani 1 1 d . . . O3 O 0.4591(7) 0.3950(7) 0.1667(4) 0.072(3) Uani 1 1 d . . . O4 O 0.3707(6) 0.4764(6) 0.1783(3) 0.066(2) Uani 1 1 d . . . O5 O 0.5661(8) 0.5838(7) 0.2169(5) 0.104(4) Uani 1 1 d . . . O6 O 0.6264(10) 0.7109(8) 0.1631(4) 0.138(6) Uani 1 1 d . . . O7 O 0.6400(11) 0.7231(13) 0.2581(7) 0.179(9) Uani 1 1 d . . . O8 O 0.399(3) 0.253(2) -0.0488(15) 0.29(2) Uani 1 1 d . . . O9 O 0.292(2) 0.2109(15) -0.0046(6) 0.275(17) Uani 1 1 d . . . O10 O 0.305(2) 0.1230(17) -0.0669(6) 0.257(14) Uani 1 1 d . . . F1 F 0.7887(11) 0.7430(16) 0.2088(7) 0.248(13) Uani 1 1 d . . . F2 F 0.7319(10) 0.6258(10) 0.2477(5) 0.151(5) Uani 1 1 d . . . F3 F 0.7221(11) 0.6319(12) 0.1660(5) 0.166(6) Uani 1 1 d . . . F4 F 0.3059(10) 0.3235(10) -0.0829(4) 0.151(5) Uani 1 1 d . . . F5 F 0.3364(11) 0.2515(9) -0.1387(5) 0.200(9) Uani 1 1 d . . . F6 F 0.2095(12) 0.2000(13) -0.1070(5) 0.187(7) Uani 1 1 d . . . S1 S 0.6277(4) 0.6695(3) 0.21332(18) 0.1038(17) Uani 1 1 d . . . S2 S 0.3284(8) 0.2054(7) -0.0487(3) 0.169(4) Uani 1 1 d . . . Ru1 Ru 0.42490(9) 0.41913(8) 0.32083(4) 0.0810(4) Uani 1 1 d . . . Ru2 Ru 0.40265(8) 0.43779(7) 0.10914(3) 0.0662(3) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.136(8) 0.163(9) 0.118(4) -0.027(4) -0.010(4) 0.064(7) C2 0.136(8) 0.163(9) 0.118(4) -0.027(4) -0.010(4) 0.064(7) C3 0.136(8) 0.163(9) 0.118(4) -0.027(4) -0.010(4) 0.064(7) C4 0.136(8) 0.163(9) 0.118(4) -0.027(4) -0.010(4) 0.064(7) C5 0.136(8) 0.163(9) 0.118(4) -0.027(4) -0.010(4) 0.064(7) C6 0.136(8) 0.163(9) 0.118(4) -0.027(4) -0.010(4) 0.064(7) C7 0.136(8) 0.163(9) 0.118(4) -0.027(4) -0.010(4) 0.064(7) C8 0.136(8) 0.163(9) 0.118(4) -0.027(4) -0.010(4) 0.064(7) C9 0.136(8) 0.163(9) 0.118(4) -0.027(4) -0.010(4) 0.064(7) C10 0.136(8) 0.163(9) 0.118(4) -0.027(4) -0.010(4) 0.064(7) C11 0.110(7) 0.119(7) 0.121(4) 0.031(3) 0.029(3) 0.055(6) C12 0.110(7) 0.119(7) 0.121(4) 0.031(3) 0.029(3) 0.055(6) C13 0.110(7) 0.119(7) 0.121(4) 0.031(3) 0.029(3) 0.055(6) C14 0.110(7) 0.119(7) 0.121(4) 0.031(3) 0.029(3) 0.055(6) C15 0.110(7) 0.119(7) 0.121(4) 0.031(3) 0.029(3) 0.055(6) C16 0.110(7) 0.119(7) 0.121(4) 0.031(3) 0.029(3) 0.055(6) C17 0.110(7) 0.119(7) 0.121(4) 0.031(3) 0.029(3) 0.055(6) C18 0.110(7) 0.119(7) 0.121(4) 0.031(3) 0.029(3) 0.055(6) C19 0.110(7) 0.119(7) 0.121(4) 0.031(3) 0.029(3) 0.055(6) C20 0.110(7) 0.119(7) 0.121(4) 0.031(3) 0.029(3) 0.055(6) C21 0.066(14) 0.058(13) 0.153(12) 0.022(9) 0.018(9) 0.053(12) C22 0.040(10) 0.032(10) 0.104(8) 0.000(5) -0.005(6) 0.012(8) C23 0.049(9) 0.056(10) 0.075(7) 0.010(5) 0.003(5) 0.032(9) C24 0.041(10) 0.049(11) 0.097(8) 0.008(6) 0.010(6) 0.021(9) C25 0.080(15) 0.079(14) 0.105(9) 0.011(7) 0.018(8) 0.050(13) C26 0.055(12) 0.040(10) 0.072(7) 0.014(5) -0.004(5) 0.020(9) C27 0.085(14) 0.109(18) 0.108(10) -0.018(9) 0.013(8) 0.074(15) C28 0.068(12) 0.033(9) 0.096(8) 0.000(5) 0.019(7) 0.027(9) C29 0.027(8) 0.052(9) 0.065(6) -0.001(5) -0.007(4) 0.014(7) C30 0.053(11) 0.048(10) 0.092(8) -0.012(6) -0.002(6) 0.025(9) C31 0.061(11) 0.031(9) 0.098(8) -0.017(5) -0.006(6) 0.031(8) C32 0.070(12) 0.072(11) 0.034(5) -0.018(5) -0.004(5) 0.035(10) C33 0.051(11) 0.051(11) 0.087(9) -0.008(7) 0.010(7) 0.004(9) C34 0.039(10) 0.035(10) 0.121(11) -0.002(7) -0.004(7) 0.016(9) C35 0.22(4) 0.20(3) 0.092(12) -0.029(14) -0.018(14) 0.16(3) C36 0.058(14) 0.096(17) 0.115(12) -0.031(10) -0.010(9) 0.022(11) N1 0.047(10) 0.085(12) 0.111(9) 0.003(6) 0.001(5) 0.040(9) N2 0.060(9) 0.071(10) 0.049(5) 0.005(4) -0.002(4) 0.038(8) N3 0.065(9) 0.043(8) 0.101(7) -0.017(5) -0.008(5) 0.034(7) N4 0.050(7) 0.034(7) 0.058(5) 0.000(3) -0.005(4) 0.022(7) O1 0.056(7) 0.087(9) 0.100(6) 0.021(5) 0.005(4) 0.046(7) O2 0.068(8) 0.057(7) 0.084(6) -0.013(4) -0.003(4) 0.021(6) O3 0.051(7) 0.055(7) 0.103(7) -0.005(4) -0.004(4) 0.022(6) O4 0.041(6) 0.051(7) 0.100(6) -0.005(4) -0.010(4) 0.019(5) O5 0.079(9) 0.042(8) 0.156(7) 0.004(5) -0.015(6) 0.005(7) O6 0.150(14) 0.053(10) 0.140(9) 0.024(6) -0.030(7) -0.002(9) O7 0.097(15) 0.133(17) 0.240(17) -0.101(13) -0.023(10) 0.007(12) O8 0.30(5) 0.19(4) 0.49(5) -0.06(3) -0.07(4) 0.22(4) O9 0.41(4) 0.18(2) 0.135(11) -0.007(11) 0.078(16) 0.07(2) O10 0.50(5) 0.30(3) 0.144(10) -0.038(13) -0.031(16) 0.32(3) F1 0.099(14) 0.32(3) 0.256(15) 0.17(2) 0.041(11) 0.050(15) F2 0.146(13) 0.161(14) 0.169(9) 0.012(8) -0.050(8) 0.094(12) F3 0.154(15) 0.218(19) 0.153(10) -0.035(9) -0.031(8) 0.113(14) F4 0.202(16) 0.140(14) 0.126(7) -0.030(7) -0.011(7) 0.097(13) F5 0.230(19) 0.111(12) 0.157(9) -0.011(7) 0.077(10) 0.010(11) F6 0.156(17) 0.24(2) 0.197(11) -0.062(11) -0.026(10) 0.121(16) S1 0.077(4) 0.062(4) 0.139(3) 0.006(2) -0.015(2) 0.009(3) S2 0.269(13) 0.156(9) 0.124(4) -0.030(4) -0.023(5) 0.137(9) Ru1 0.0708(11) 0.0565(10) 0.1046(7) -0.0074(6) -0.0086(6) 0.0235(7) Ru2 0.0472(8) 0.0428(7) 0.1027(7) -0.0039(5) -0.0057(5) 0.0182(6) _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 C1 C2 1.35(4) . ? C1 C6 1.37(3) . ? C1 C7 1.49(3) . ? C1 Ru1 2.21(3) . ? C2 C3 1.54(4) . ? C2 Ru1 2.14(2) . ? C2 H2 0.9300 . ? C3 C4 1.48(4) . ? C3 Ru1 2.116(19) . ? C3 H3 0.9300 . ? C4 C5 1.13(3) . ? C4 C8 1.63(4) . ? C4 Ru1 2.20(2) . ? C5 C6 1.42(3) . ? C5 Ru1 2.17(3) . ? C5 H5 0.9300 . ? C6 Ru1 2.21(3) . ? C6 H6 0.9300 . ? C7 H7A 0.9600 . ? C7 H7B 0.9600 . ? C7 H7C 0.9600 . ? C8 C9 1.405(18) . ? C8 C10 1.46(2) . ? C8 H8 0.9800 . ? C9 H9A 0.9600 . ? C9 H9B 0.9600 . ? C9 H9C 0.9600 . ? C10 H10A 0.9600 . ? C10 H10B 0.9600 . ? C10 H10C 0.9600 . ? C11 C12 1.40(3) . ? C11 C17 1.47(3) . ? C11 C16 1.51(3) . ? C11 Ru2 2.12(2) . ? C12 C13 1.40(3) . ? C12 Ru2 2.17(2) . ? C12 H12 0.9300 . ? C13 C14 1.40(3) . ? C13 Ru2 2.18(2) . ? C13 H13 0.9300 . ? C14 C15 1.36(3) . ? C14 C18 1.63(3) . ? C14 Ru2 2.116(19) . ? C15 C16 1.50(3) . ? C15 Ru2 2.215(19) . ? C15 H15 0.9300 . ? C16 Ru2 2.215(19) . ? C16 H16 0.9300 . ? C17 H17A 0.9600 . ? C17 H17B 0.9600 . ? C17 H17C 0.9600 . ? C18 C19 1.46(3) . ? C18 C20 1.62(3) . ? C18 H18 0.9800 . ? C19 H19A 0.9600 . ? C19 H19B 0.9600 . ? C19 H19C 0.9600 . ? C20 H20A 0.9600 . ? C20 H20B 0.9600 . ? C20 H20C 0.9600 . ? C21 C22 1.28(2) . ? C21 N1 1.35(2) . ? C21 H21 0.9300 . ? C22 C23 1.432(18) . ? C22 H22 0.9300 . ? C23 C24 1.399(18) . ? C23 C26 1.493(19) . ? C24 C25 1.39(2) . ? C24 H24 0.9300 . ? C25 N1 1.30(2) . ? C25 H25 0.9300 . ? C26 N2 1.328(15) . ? C26 N2 1.346(16) 2 ? C27 N3 1.309(19) . ? C27 C28 1.37(2) . ? C27 H27 0.9300 . ? C28 C29 1.338(18) . ? C28 H28 0.9300 . ? C29 C30 1.421(18) . ? C29 C32 1.479(17) . ? C30 C31 1.362(18) . ? C30 H30 0.9300 . ? C31 N3 1.360(18) . ? C31 H31 0.9300 . ? C32 N4 1.326(16) . ? C32 N4 1.356(16) 2 ? C33 O3 1.228(15) . ? C33 O1 1.247(19) . ? C33 C34 1.56(2) . ? C34 O4 1.263(17) . ? C34 O2 1.265(16) . ? C35 F2 1.24(2) . ? C35 F3 1.25(2) . ? C35 F1 1.48(3) . ? C35 S1 1.68(3) . ? C36 F4 1.28(2) . ? C36 F6 1.34(2) . ? C36 F5 1.36(2) . ? C36 S2 1.73(2) . ? N1 Ru1 2.162(14) . ? N2 C26 1.346(16) 4 ? N3 Ru2 2.092(12) . ? N4 C32 1.356(16) 4 ? O1 Ru1 2.122(10) . ? O2 Ru1 2.081(10) . ? O3 Ru2 2.151(10) . ? O4 Ru2 2.094(9) . ? O5 S1 1.389(11) . ? O6 S1 1.499(12) . ? O7 S1 1.448(15) . ? O8 S2 1.13(4) . ? O9 S2 1.34(2) . ? O10 S2 1.41(2) . ? 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 C2 C1 C6 121(3) . . ? C2 C1 C7 114(3) . . ? C6 C1 C7 125(3) . . ? C2 C1 Ru1 69.1(16) . . ? C6 C1 Ru1 71.6(17) . . ? C7 C1 Ru1 131.8(16) . . ? C1 C2 C3 118(3) . . ? C1 C2 Ru1 75.0(15) . . ? C3 C2 Ru1 67.9(11) . . ? C1 C2 H2 121.1 . . ? C3 C2 H2 121.1 . . ? Ru1 C2 H2 128.0 . . ? C4 C3 C2 115(2) . . ? C4 C3 Ru1 72.9(11) . . ? C2 C3 Ru1 69.6(11) . . ? C4 C3 H3 122.6 . . ? C2 C3 H3 122.6 . . ? Ru1 C3 H3 126.6 . . ? C5 C4 C3 119(3) . . ? C5 C4 C8 132(3) . . ? C3 C4 C8 109(2) . . ? C5 C4 Ru1 73.9(19) . . ? C3 C4 Ru1 67.0(13) . . ? C8 C4 Ru1 122.3(16) . . ? C4 C5 C6 131(4) . . ? C4 C5 Ru1 76(2) . . ? C6 C5 Ru1 72.4(16) . . ? C4 C5 H5 114.5 . . ? C6 C5 H5 114.5 . . ? Ru1 C5 H5 130.6 . . ? C1 C6 C5 116(3) . . ? C1 C6 Ru1 72.2(17) . . ? C5 C6 Ru1 69.7(16) . . ? C1 C6 H6 121.9 . . ? C5 C6 H6 121.9 . . ? Ru1 C6 H6 128.1 . . ? 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 . . ? C9 C8 C10 120.1(19) . . ? C9 C8 C4 110(2) . . ? C10 C8 C4 103.0(16) . . ? C9 C8 H8 107.7 . . ? C10 C8 H8 107.7 . . ? C4 C8 H8 107.7 . . ? 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 . . ? C12 C11 C17 119(2) . . ? C12 C11 C16 121(2) . . ? C17 C11 C16 119(2) . . ? C12 C11 Ru2 73.0(13) . . ? C17 C11 Ru2 121.1(12) . . ? C16 C11 Ru2 73.2(12) . . ? C13 C12 C11 119(2) . . ? C13 C12 Ru2 71.6(13) . . ? C11 C12 Ru2 68.9(13) . . ? C13 C12 H12 120.3 . . ? C11 C12 H12 120.3 . . ? Ru2 C12 H12 132.1 . . ? C12 C13 C14 120(2) . . ? C12 C13 Ru2 71.0(13) . . ? C14 C13 Ru2 68.6(13) . . ? C12 C13 H13 119.8 . . ? C14 C13 H13 119.8 . . ? Ru2 C13 H13 134.1 . . ? C15 C14 C13 125(2) . . ? C15 C14 C18 118(2) . . ? C13 C14 C18 117(2) . . ? C15 C14 Ru2 75.7(13) . . ? C13 C14 Ru2 73.3(12) . . ? C18 C14 Ru2 123.4(11) . . ? C14 C15 C16 117(2) . . ? C14 C15 Ru2 67.7(11) . . ? C16 C15 Ru2 70.2(10) . . ? C14 C15 H15 121.3 . . ? C16 C15 H15 121.3 . . ? Ru2 C15 H15 133.8 . . ? C15 C16 C11 116(2) . . ? C15 C16 Ru2 70.2(11) . . ? C11 C16 Ru2 66.2(11) . . ? C15 C16 H16 122.0 . . ? C11 C16 H16 122.0 . . ? Ru2 C16 H16 134.5 . . ? C11 C17 H17A 109.5 . . ? C11 C17 H17B 109.5 . . ? H17A C17 H17B 109.5 . . ? C11 C17 H17C 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? C19 C18 C20 114.6(17) . . ? C19 C18 C14 118(2) . . ? C20 C18 C14 102.2(16) . . ? C19 C18 H18 107.2 . . ? C20 C18 H18 107.2 . . ? C14 C18 H18 107.2 . . ? C18 C19 H19A 109.5 . . ? C18 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? C18 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? C18 C20 H20A 109.5 . . ? C18 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? C18 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? C22 C21 N1 123.0(15) . . ? C22 C21 H21 118.5 . . ? N1 C21 H21 118.5 . . ? C21 C22 C23 120.5(14) . . ? C21 C22 H22 119.8 . . ? C23 C22 H22 119.8 . . ? C24 C23 C22 116.7(12) . . ? C24 C23 C26 120.9(12) . . ? C22 C23 C26 122.5(13) . . ? C25 C24 C23 117.7(14) . . ? C25 C24 H24 121.2 . . ? C23 C24 H24 121.2 . . ? N1 C25 C24 122.6(15) . . ? N1 C25 H25 118.7 . . ? C24 C25 H25 118.7 . . ? N2 C26 N2 126.5(13) . 2 ? N2 C26 C23 115.3(15) . . ? N2 C26 C23 118.1(13) 2 . ? N3 C27 C28 128.2(15) . . ? N3 C27 H27 115.9 . . ? C28 C27 H27 115.9 . . ? C29 C28 C27 117.9(13) . . ? C29 C28 H28 121.1 . . ? C27 C28 H28 121.1 . . ? C28 C29 C30 118.2(12) . . ? C28 C29 C32 122.1(13) . . ? C30 C29 C32 119.6(12) . . ? C31 C30 C29 117.9(12) . . ? C31 C30 H30 121.1 . . ? C29 C30 H30 121.1 . . ? N3 C31 C30 124.9(11) . . ? N3 C31 H31 117.6 . . ? C30 C31 H31 117.6 . . ? N4 C32 N4 125.4(14) . 2 ? N4 C32 C29 116.3(13) . . ? N4 C32 C29 118.1(13) 2 . ? O3 C33 O1 127.1(18) . . ? O3 C33 C34 116.8(14) . . ? O1 C33 C34 115.9(11) . . ? O4 C34 O2 125.3(16) . . ? O4 C34 C33 116.3(12) . . ? O2 C34 C33 118.3(12) . . ? F2 C35 F3 116(2) . . ? F2 C35 F1 100(2) . . ? F3 C35 F1 98(2) . . ? F2 C35 S1 120(2) . . ? F3 C35 S1 112.5(18) . . ? F1 C35 S1 106.2(19) . . ? F4 C36 F6 108(2) . . ? F4 C36 F5 111.8(18) . . ? F6 C36 F5 106.2(14) . . ? F4 C36 S2 113.0(13) . . ? F6 C36 S2 113.8(18) . . ? F5 C36 S2 103.4(18) . . ? C25 N1 C21 119.4(15) . . ? C25 N1 Ru1 121.2(12) . . ? C21 N1 Ru1 119.4(11) . . ? C26 N2 C26 113.5(13) . 4 ? C27 N3 C31 112.8(13) . . ? C27 N3 Ru2 124.6(12) . . ? C31 N3 Ru2 122.5(9) . . ? C32 N4 C32 114.6(14) . 4 ? C33 O1 Ru1 113.0(10) . . ? C34 O2 Ru1 112.3(10) . . ? C33 O3 Ru2 113.9(11) . . ? C34 O4 Ru2 114.7(10) . . ? O5 S1 O7 117.7(11) . . ? O5 S1 O6 114.3(8) . . ? O7 S1 O6 112.7(13) . . ? O5 S1 C35 97.3(14) . . ? O7 S1 C35 106.9(12) . . ? O6 S1 C35 105.8(12) . . ? O8 S2 O9 111(2) . . ? O8 S2 O10 116(2) . . ? O9 S2 O10 117.4(16) . . ? O8 S2 C36 101(2) . . ? O9 S2 C36 103.8(18) . . ? O10 S2 C36 105.7(11) . . ? O2 Ru1 C3 112.9(8) . . ? O2 Ru1 O1 80.3(3) . . ? C3 Ru1 O1 166.3(8) . . ? O2 Ru1 C2 154.0(8) . . ? C3 Ru1 C2 42.5(9) . . ? O1 Ru1 C2 125.0(8) . . ? O2 Ru1 N1 83.2(4) . . ? C3 Ru1 N1 101.3(8) . . ? O1 Ru1 N1 83.3(4) . . ? C2 Ru1 N1 93.2(8) . . ? O2 Ru1 C5 99.5(8) . . ? C3 Ru1 C5 63.3(9) . . ? O1 Ru1 C5 112.4(7) . . ? C2 Ru1 C5 77.5(10) . . ? N1 Ru1 C5 164.3(7) . . ? O2 Ru1 C4 92.6(8) . . ? C3 Ru1 C4 40.0(9) . . ? O1 Ru1 C4 140.2(9) . . ? C2 Ru1 C4 71.9(10) . . ? N1 Ru1 C4 135.1(9) . . ? C5 Ru1 C4 29.9(8) . . ? O2 Ru1 C6 126.3(8) . . ? C3 Ru1 C6 80.1(9) . . ? O1 Ru1 C6 89.2(6) . . ? C2 Ru1 C6 65.9(9) . . ? N1 Ru1 C6 147.9(8) . . ? C5 Ru1 C6 37.9(8) . . ? C4 Ru1 C6 63.6(10) . . ? O2 Ru1 C1 162.4(9) . . ? C3 Ru1 C1 69.7(9) . . ? O1 Ru1 C1 96.6(7) . . ? C2 Ru1 C1 36.0(9) . . ? N1 Ru1 C1 113.8(9) . . ? C5 Ru1 C1 65.5(10) . . ? C4 Ru1 C1 78.6(11) . . ? C6 Ru1 C1 36.2(9) . . ? N3 Ru2 O4 85.6(4) . . ? N3 Ru2 C14 132.1(8) . . ? O4 Ru2 C14 139.9(8) . . ? N3 Ru2 C11 110.9(7) . . ? O4 Ru2 C11 97.3(6) . . ? C14 Ru2 C11 82.6(8) . . ? N3 Ru2 O3 82.5(4) . . ? O4 Ru2 O3 78.2(4) . . ? C14 Ru2 O3 92.1(6) . . ? C11 Ru2 O3 165.7(7) . . ? N3 Ru2 C12 146.1(7) . . ? O4 Ru2 C12 86.3(6) . . ? C14 Ru2 C12 69.0(8) . . ? C11 Ru2 C12 38.1(7) . . ? O3 Ru2 C12 127.7(7) . . ? N3 Ru2 C13 169.7(6) . . ? O4 Ru2 C13 104.6(6) . . ? C14 Ru2 C13 38.1(8) . . ? C11 Ru2 C13 68.4(8) . . ? O3 Ru2 C13 99.4(6) . . ? C12 Ru2 C13 37.5(7) . . ? N3 Ru2 C16 91.5(7) . . ? O4 Ru2 C16 132.8(7) . . ? C14 Ru2 C16 68.9(8) . . ? C11 Ru2 C16 40.7(8) . . ? O3 Ru2 C16 148.1(7) . . ? C12 Ru2 C16 70.6(8) . . ? C13 Ru2 C16 81.6(8) . . ? N3 Ru2 C15 102.0(6) . . ? O4 Ru2 C15 168.6(7) . . ? C14 Ru2 C15 36.6(8) . . ? C11 Ru2 C15 72.2(8) . . ? O3 Ru2 C15 111.0(6) . . ? C12 Ru2 C15 82.7(8) . . ? C13 Ru2 C15 67.9(8) . . ? C16 Ru2 C15 39.6(7) . . ? 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 C6 C1 C2 C3 -3(3) . . . . ? C7 C1 C2 C3 177.9(16) . . . . ? Ru1 C1 C2 C3 -54.4(16) . . . . ? C6 C1 C2 Ru1 51(2) . . . . ? C7 C1 C2 Ru1 -127.7(17) . . . . ? C1 C2 C3 C4 -1(3) . . . . ? Ru1 C2 C3 C4 -58.9(15) . . . . ? C1 C2 C3 Ru1 57.9(17) . . . . ? C2 C3 C4 C5 2(3) . . . . ? Ru1 C3 C4 C5 -55(2) . . . . ? C2 C3 C4 C8 175.1(15) . . . . ? Ru1 C3 C4 C8 118.0(15) . . . . ? C2 C3 C4 Ru1 57.1(14) . . . . ? C3 C4 C5 C6 0(4) . . . . ? C8 C4 C5 C6 -170(2) . . . . ? Ru1 C4 C5 C6 -51(2) . . . . ? C3 C4 C5 Ru1 51.4(19) . . . . ? C8 C4 C5 Ru1 -119(3) . . . . ? C2 C1 C6 C5 5(3) . . . . ? C7 C1 C6 C5 -175.6(19) . . . . ? Ru1 C1 C6 C5 55.7(17) . . . . ? C2 C1 C6 Ru1 -50(2) . . . . ? C7 C1 C6 Ru1 129(2) . . . . ? C4 C5 C6 C1 -4(4) . . . . ? Ru1 C5 C6 C1 -56.9(18) . . . . ? C4 C5 C6 Ru1 53(3) . . . . ? C5 C4 C8 C9 19(4) . . . . ? C3 C4 C8 C9 -152.6(16) . . . . ? Ru1 C4 C8 C9 -78(2) . . . . ? C5 C4 C8 C10 -110(3) . . . . ? C3 C4 C8 C10 78(2) . . . . ? Ru1 C4 C8 C10 152.4(17) . . . . ? C17 C11 C12 C13 169.2(15) . . . . ? C16 C11 C12 C13 -5(3) . . . . ? Ru2 C11 C12 C13 52.6(14) . . . . ? C17 C11 C12 Ru2 116.6(16) . . . . ? C16 C11 C12 Ru2 -57.4(15) . . . . ? C11 C12 C13 C14 -2(2) . . . . ? Ru2 C12 C13 C14 49.4(15) . . . . ? C11 C12 C13 Ru2 -51.4(14) . . . . ? C12 C13 C14 C15 8(3) . . . . ? Ru2 C13 C14 C15 58.3(17) . . . . ? C12 C13 C14 C18 -170.0(14) . . . . ? Ru2 C13 C14 C18 -119.5(14) . . . . ? C12 C13 C14 Ru2 -50.5(14) . . . . ? C13 C14 C15 C16 -6(3) . . . . ? C18 C14 C15 C16 171.8(13) . . . . ? Ru2 C14 C15 C16 51.2(14) . . . . ? C13 C14 C15 Ru2 -57.3(17) . . . . ? C18 C14 C15 Ru2 120.6(15) . . . . ? C14 C15 C16 C11 -1(2) . . . . ? Ru2 C15 C16 C11 49.2(13) . . . . ? C14 C15 C16 Ru2 -50.1(14) . . . . ? C12 C11 C16 C15 6(2) . . . . ? C17 C11 C16 C15 -167.9(14) . . . . ? Ru2 C11 C16 C15 -51.2(13) . . . . ? C12 C11 C16 Ru2 57.4(15) . . . . ? C17 C11 C16 Ru2 -116.7(16) . . . . ? C15 C14 C18 C19 -19(2) . . . . ? C13 C14 C18 C19 158.8(16) . . . . ? Ru2 C14 C18 C19 72(2) . . . . ? C15 C14 C18 C20 107.3(19) . . . . ? C13 C14 C18 C20 -74.7(19) . . . . ? Ru2 C14 C18 C20 -162.0(16) . . . . ? N1 C21 C22 C23 -5(2) . . . . ? C21 C22 C23 C24 4.9(17) . . . . ? C21 C22 C23 C26 -176.2(12) . . . . ? C22 C23 C24 C25 -1.6(16) . . . . ? C26 C23 C24 C25 179.5(10) . . . . ? C23 C24 C25 N1 -2.2(19) . . . . ? C24 C23 C26 N2 178.3(9) . . . . ? C22 C23 C26 N2 -0.5(15) . . . . ? C24 C23 C26 N2 -5.2(15) . . . 2 ? C22 C23 C26 N2 176.0(9) . . . 2 ? N3 C27 C28 C29 -3(2) . . . . ? C27 C28 C29 C30 1.7(17) . . . . ? C27 C28 C29 C32 178.6(11) . . . . ? C28 C29 C30 C31 -2.8(16) . . . . ? C32 C29 C30 C31 -179.7(9) . . . . ? C29 C30 C31 N3 4.6(17) . . . . ? C28 C29 C32 N4 15.1(14) . . . . ? C30 C29 C32 N4 -168.1(9) . . . . ? C28 C29 C32 N4 -160.6(10) . . . 2 ? C30 C29 C32 N4 16.2(13) . . . 2 ? O3 C33 C34 O4 1.2(19) . . . . ? O1 C33 C34 O4 -174.2(11) . . . . ? O3 C33 C34 O2 179.0(9) . . . . ? O1 C33 C34 O2 3.6(19) . . . . ? C24 C25 N1 C21 2.9(19) . . . . ? C24 C25 N1 Ru1 -174.5(9) . . . . ? C22 C21 N1 C25 1(2) . . . . ? C22 C21 N1 Ru1 178.0(11) . . . . ? N2 C26 N2 C26 -2.2(19) 2 . . 4 ? C23 C26 N2 C26 173.9(5) . . . 4 ? C28 C27 N3 C31 4(2) . . . . ? C28 C27 N3 Ru2 -174.0(12) . . . . ? C30 C31 N3 C27 -4.9(17) . . . . ? C30 C31 N3 Ru2 173.0(9) . . . . ? N4 C32 N4 C32 0.8(17) 2 . . 4 ? C29 C32 N4 C32 -174.5(5) . . . 4 ? O3 C33 O1 Ru1 -178.1(11) . . . . ? C34 C33 O1 Ru1 -3.2(16) . . . . ? O4 C34 O2 Ru1 175.7(10) . . . . ? C33 C34 O2 Ru1 -1.8(14) . . . . ? O1 C33 O3 Ru2 172.3(13) . . . . ? C34 C33 O3 Ru2 -2.5(15) . . . . ? O2 C34 O4 Ru2 -176.7(9) . . . . ? C33 C34 O4 Ru2 0.9(15) . . . . ? F2 C35 S1 O5 -65(3) . . . . ? F3 C35 S1 O5 77(2) . . . . ? F1 C35 S1 O5 -176.9(14) . . . . ? F2 C35 S1 O7 57(3) . . . . ? F3 C35 S1 O7 -162(2) . . . . ? F1 C35 S1 O7 -55.0(18) . . . . ? F2 C35 S1 O6 178(2) . . . . ? F3 C35 S1 O6 -41(3) . . . . ? F1 C35 S1 O6 65.3(15) . . . . ? F4 C36 S2 O8 -62(3) . . . . ? F6 C36 S2 O8 174(2) . . . . ? F5 C36 S2 O8 59(2) . . . . ? F4 C36 S2 O9 53(2) . . . . ? F6 C36 S2 O9 -71.3(19) . . . . ? F5 C36 S2 O9 173.9(17) . . . . ? F4 C36 S2 O10 177.0(19) . . . . ? F6 C36 S2 O10 53(2) . . . . ? F5 C36 S2 O10 -61.9(19) . . . . ? C34 O2 Ru1 C3 176.3(11) . . . . ? C34 O2 Ru1 O1 0.1(8) . . . . ? C34 O2 Ru1 C2 -167.5(18) . . . . ? C34 O2 Ru1 N1 -84.2(8) . . . . ? C34 O2 Ru1 C5 111.5(10) . . . . ? C34 O2 Ru1 C4 140.7(11) . . . . ? C34 O2 Ru1 C6 81.9(11) . . . . ? C34 O2 Ru1 C1 81(2) . . . . ? C4 C3 Ru1 O2 -64.8(17) . . . . ? C2 C3 Ru1 O2 169.6(13) . . . . ? C4 C3 Ru1 O1 99(4) . . . . ? C2 C3 Ru1 O1 -26(4) . . . . ? C4 C3 Ru1 C2 126(2) . . . . ? C4 C3 Ru1 N1 -152.2(15) . . . . ? C2 C3 Ru1 N1 82.3(15) . . . . ? C4 C3 Ru1 C5 24.5(16) . . . . ? C2 C3 Ru1 C5 -101.1(17) . . . . ? C2 C3 Ru1 C4 -126(2) . . . . ? C4 C3 Ru1 C6 60.5(16) . . . . ? C2 C3 Ru1 C6 -65.1(15) . . . . ? C4 C3 Ru1 C1 96.5(18) . . . . ? C2 C3 Ru1 C1 -29.1(16) . . . . ? C33 O1 Ru1 O2 1.9(10) . . . . ? C33 O1 Ru1 C3 -163(3) . . . . ? C33 O1 Ru1 C2 175.3(12) . . . . ? C33 O1 Ru1 N1 86.1(10) . . . . ? C33 O1 Ru1 C5 -94.5(13) . . . . ? C33 O1 Ru1 C4 -80.4(16) . . . . ? C33 O1 Ru1 C6 -125.2(12) . . . . ? C33 O1 Ru1 C1 -160.6(12) . . . . ? C1 C2 Ru1 O2 -151.3(16) . . . . ? C3 C2 Ru1 O2 -22(3) . . . . ? C1 C2 Ru1 C3 -129(3) . . . . ? C1 C2 Ru1 O1 44(2) . . . . ? C3 C2 Ru1 O1 172.6(12) . . . . ? C1 C2 Ru1 N1 127.6(18) . . . . ? C3 C2 Ru1 N1 -103.3(15) . . . . ? C1 C2 Ru1 C5 -65.2(18) . . . . ? C3 C2 Ru1 C5 63.8(16) . . . . ? C1 C2 Ru1 C4 -95.6(19) . . . . ? C3 C2 Ru1 C4 33.4(15) . . . . ? C1 C2 Ru1 C6 -27.1(17) . . . . ? C3 C2 Ru1 C6 102.0(16) . . . . ? C3 C2 Ru1 C1 129(3) . . . . ? C25 N1 Ru1 O2 -40.3(10) . . . . ? C21 N1 Ru1 O2 142.4(10) . . . . ? C25 N1 Ru1 C3 71.8(13) . . . . ? C21 N1 Ru1 C3 -105.6(12) . . . . ? C25 N1 Ru1 O1 -121.3(10) . . . . ? C21 N1 Ru1 O1 61.4(10) . . . . ? C25 N1 Ru1 C2 113.9(12) . . . . ? C21 N1 Ru1 C2 -63.5(12) . . . . ? C25 N1 Ru1 C5 61(3) . . . . ? C21 N1 Ru1 C5 -117(3) . . . . ? C25 N1 Ru1 C4 46.6(16) . . . . ? C21 N1 Ru1 C4 -130.8(13) . . . . ? C25 N1 Ru1 C6 161.1(13) . . . . ? C21 N1 Ru1 C6 -16.3(16) . . . . ? C25 N1 Ru1 C1 144.4(11) . . . . ? C21 N1 Ru1 C1 -32.9(12) . . . . ? C4 C5 Ru1 O2 79(2) . . . . ? C6 C5 Ru1 O2 -139.6(13) . . . . ? C4 C5 Ru1 C3 -32(2) . . . . ? C6 C5 Ru1 C3 109.5(17) . . . . ? C4 C5 Ru1 O1 161.9(19) . . . . ? C6 C5 Ru1 O1 -56.3(14) . . . . ? C4 C5 Ru1 C2 -75(2) . . . . ? C6 C5 Ru1 C2 66.7(14) . . . . ? C4 C5 Ru1 N1 -20(5) . . . . ? C6 C5 Ru1 N1 122(3) . . . . ? C6 C5 Ru1 C4 142(3) . . . . ? C4 C5 Ru1 C6 -142(3) . . . . ? C4 C5 Ru1 C1 -111(2) . . . . ? C6 C5 Ru1 C1 30.8(12) . . . . ? C5 C4 Ru1 O2 -105(2) . . . . ? C3 C4 Ru1 O2 123.4(15) . . . . ? C8 C4 Ru1 O2 25(2) . . . . ? C5 C4 Ru1 C3 132(3) . . . . ? C8 C4 Ru1 C3 -98(3) . . . . ? C5 C4 Ru1 O1 -27(3) . . . . ? C3 C4 Ru1 O1 -158.7(12) . . . . ? C8 C4 Ru1 O1 103(2) . . . . ? C5 C4 Ru1 C2 97(2) . . . . ? C3 C4 Ru1 C2 -35.3(15) . . . . ? C8 C4 Ru1 C2 -134(2) . . . . ? C5 C4 Ru1 N1 172.4(17) . . . . ? C3 C4 Ru1 N1 40(2) . . . . ? C8 C4 Ru1 N1 -58(2) . . . . ? C3 C4 Ru1 C5 -132(3) . . . . ? C8 C4 Ru1 C5 130(3) . . . . ? C5 C4 Ru1 C6 25(2) . . . . ? C3 C4 Ru1 C6 -106.9(18) . . . . ? C8 C4 Ru1 C6 155(2) . . . . ? C5 C4 Ru1 C1 60(2) . . . . ? C3 C4 Ru1 C1 -71.9(16) . . . . ? C8 C4 Ru1 C1 -170(2) . . . . ? C1 C6 Ru1 O2 -179.7(13) . . . . ? C5 C6 Ru1 O2 52.4(15) . . . . ? C1 C6 Ru1 C3 69.1(16) . . . . ? C5 C6 Ru1 C3 -58.7(15) . . . . ? C1 C6 Ru1 O1 -102.4(15) . . . . ? C5 C6 Ru1 O1 129.7(13) . . . . ? C1 C6 Ru1 C2 27.0(15) . . . . ? C5 C6 Ru1 C2 -100.9(15) . . . . ? C1 C6 Ru1 N1 -26(2) . . . . ? C5 C6 Ru1 N1 -154.3(12) . . . . ? C1 C6 Ru1 C5 128(2) . . . . ? C1 C6 Ru1 C4 107.8(17) . . . . ? C5 C6 Ru1 C4 -20.1(14) . . . . ? C5 C6 Ru1 C1 -128(2) . . . . ? C2 C1 Ru1 O2 136(2) . . . . ? C6 C1 Ru1 O2 1(3) . . . . ? C7 C1 Ru1 O2 -121(3) . . . . ? C2 C1 Ru1 C3 34.0(18) . . . . ? C6 C1 Ru1 C3 -101.2(17) . . . . ? C7 C1 Ru1 C3 138(3) . . . . ? C2 C1 Ru1 O1 -145.4(17) . . . . ? C6 C1 Ru1 O1 79.5(15) . . . . ? C7 C1 Ru1 O1 -42(3) . . . . ? C6 C1 Ru1 C2 -135(3) . . . . ? C7 C1 Ru1 C2 104(4) . . . . ? C2 C1 Ru1 N1 -59.8(19) . . . . ? C6 C1 Ru1 N1 165.0(13) . . . . ? C7 C1 Ru1 N1 44(3) . . . . ? C2 C1 Ru1 C5 103.0(19) . . . . ? C6 C1 Ru1 C5 -32.2(14) . . . . ? C7 C1 Ru1 C5 -153(3) . . . . ? C2 C1 Ru1 C4 74.7(18) . . . . ? C6 C1 Ru1 C4 -60.5(16) . . . . ? C7 C1 Ru1 C4 178(3) . . . . ? C2 C1 Ru1 C6 135(3) . . . . ? C7 C1 Ru1 C6 -121(3) . . . . ? C27 N3 Ru2 O4 -139.3(11) . . . . ? C31 N3 Ru2 O4 43.1(9) . . . . ? C27 N3 Ru2 C14 25.5(15) . . . . ? C31 N3 Ru2 C14 -152.2(11) . . . . ? C27 N3 Ru2 C11 124.6(12) . . . . ? C31 N3 Ru2 C11 -53.0(11) . . . . ? C27 N3 Ru2 O3 -60.6(11) . . . . ? C31 N3 Ru2 O3 121.8(9) . . . . ? C27 N3 Ru2 C12 144.0(13) . . . . ? C31 N3 Ru2 C12 -33.6(15) . . . . ? C27 N3 Ru2 C13 41(4) . . . . ? C31 N3 Ru2 C13 -137(4) . . . . ? C27 N3 Ru2 C16 87.9(12) . . . . ? C31 N3 Ru2 C16 -89.7(10) . . . . ? C27 N3 Ru2 C15 49.4(12) . . . . ? C31 N3 Ru2 C15 -128.2(10) . . . . ? C34 O4 Ru2 N3 81.7(9) . . . . ? C34 O4 Ru2 C14 -80.7(13) . . . . ? C34 O4 Ru2 C11 -167.8(10) . . . . ? C34 O4 Ru2 O3 -1.6(8) . . . . ? C34 O4 Ru2 C12 -131.3(11) . . . . ? C34 O4 Ru2 C13 -98.3(10) . . . . ? C34 O4 Ru2 C16 169.7(11) . . . . ? C34 O4 Ru2 C15 -146(3) . . . . ? C15 C14 Ru2 N3 41.7(17) . . . . ? C13 C14 Ru2 N3 175.6(10) . . . . ? C18 C14 Ru2 N3 -72(2) . . . . ? C15 C14 Ru2 O4 -162.4(12) . . . . ? C13 C14 Ru2 O4 -28.5(17) . . . . ? C18 C14 Ru2 O4 84(2) . . . . ? C15 C14 Ru2 C11 -69.8(14) . . . . ? C13 C14 Ru2 C11 64.1(13) . . . . ? C18 C14 Ru2 C11 176(2) . . . . ? C15 C14 Ru2 O3 123.5(14) . . . . ? C13 C14 Ru2 O3 -102.6(12) . . . . ? C18 C14 Ru2 O3 9(2) . . . . ? C15 C14 Ru2 C12 -106.7(15) . . . . ? C13 C14 Ru2 C12 27.3(12) . . . . ? C18 C14 Ru2 C12 139(2) . . . . ? C15 C14 Ru2 C13 -134(2) . . . . ? C18 C14 Ru2 C13 112(2) . . . . ? C15 C14 Ru2 C16 -30.2(13) . . . . ? C13 C14 Ru2 C16 103.7(14) . . . . ? C18 C14 Ru2 C16 -144(2) . . . . ? C13 C14 Ru2 C15 134(2) . . . . ? C18 C14 Ru2 C15 -114(3) . . . . ? C12 C11 Ru2 N3 162.5(11) . . . . ? C17 C11 Ru2 N3 48(2) . . . . ? C16 C11 Ru2 N3 -66.4(12) . . . . ? C12 C11 Ru2 O4 74.4(12) . . . . ? C17 C11 Ru2 O4 -40(2) . . . . ? C16 C11 Ru2 O4 -154.5(11) . . . . ? C12 C11 Ru2 C14 -65.1(13) . . . . ? C17 C11 Ru2 C14 -180(2) . . . . ? C16 C11 Ru2 C14 66.0(13) . . . . ? C12 C11 Ru2 O3 4(3) . . . . ? C17 C11 Ru2 O3 -111(3) . . . . ? C16 C11 Ru2 O3 135(2) . . . . ? C17 C11 Ru2 C12 -115(2) . . . . ? C16 C11 Ru2 C12 131.1(18) . . . . ? C12 C11 Ru2 C13 -28.5(11) . . . . ? C17 C11 Ru2 C13 -143(2) . . . . ? C16 C11 Ru2 C13 102.6(13) . . . . ? C12 C11 Ru2 C16 -131.1(18) . . . . ? C17 C11 Ru2 C16 114(3) . . . . ? C12 C11 Ru2 C15 -101.2(13) . . . . ? C17 C11 Ru2 C15 144(2) . . . . ? C16 C11 Ru2 C15 29.9(12) . . . . ? C33 O3 Ru2 N3 -84.8(9) . . . . ? C33 O3 Ru2 O4 2.3(9) . . . . ? C33 O3 Ru2 C14 143.1(11) . . . . ? C33 O3 Ru2 C11 75(3) . . . . ? C33 O3 Ru2 C12 78.2(11) . . . . ? C33 O3 Ru2 C13 105.4(10) . . . . ? C33 O3 Ru2 C16 -165.5(14) . . . . ? C33 O3 Ru2 C15 175.2(11) . . . . ? C13 C12 Ru2 N3 -163.4(10) . . . . ? C11 C12 Ru2 N3 -30.2(17) . . . . ? C13 C12 Ru2 O4 120.1(12) . . . . ? C11 C12 Ru2 O4 -106.8(12) . . . . ? C13 C12 Ru2 C14 -27.7(12) . . . . ? C11 C12 Ru2 C14 105.5(13) . . . . ? C13 C12 Ru2 C11 -133.2(17) . . . . ? C13 C12 Ru2 O3 48.0(13) . . . . ? C11 C12 Ru2 O3 -178.8(10) . . . . ? C11 C12 Ru2 C13 133.2(17) . . . . ? C13 C12 Ru2 C16 -101.8(13) . . . . ? C11 C12 Ru2 C16 31.4(12) . . . . ? C13 C12 Ru2 C15 -62.9(12) . . . . ? C11 C12 Ru2 C15 70.3(12) . . . . ? C12 C13 Ru2 N3 117(4) . . . . ? C14 C13 Ru2 N3 -19(4) . . . . ? C12 C13 Ru2 O4 -63.2(12) . . . . ? C14 C13 Ru2 O4 161.5(11) . . . . ? C12 C13 Ru2 C14 135.3(18) . . . . ? C12 C13 Ru2 C11 28.9(11) . . . . ? C14 C13 Ru2 C11 -106.4(14) . . . . ? C12 C13 Ru2 O3 -143.4(11) . . . . ? C14 C13 Ru2 O3 81.3(12) . . . . ? C14 C13 Ru2 C12 -135.3(18) . . . . ? C12 C13 Ru2 C16 68.9(13) . . . . ? C14 C13 Ru2 C16 -66.4(13) . . . . ? C12 C13 Ru2 C15 107.7(13) . . . . ? C14 C13 Ru2 C15 -27.6(12) . . . . ? C15 C16 Ru2 N3 -107.1(12) . . . . ? C11 C16 Ru2 N3 121.1(12) . . . . ? C15 C16 Ru2 O4 167.5(10) . . . . ? C11 C16 Ru2 O4 35.6(15) . . . . ? C15 C16 Ru2 C14 28.1(13) . . . . ? C11 C16 Ru2 C14 -103.8(14) . . . . ? C15 C16 Ru2 C11 131.9(19) . . . . ? C15 C16 Ru2 O3 -29(2) . . . . ? C11 C16 Ru2 O3 -160.7(11) . . . . ? C15 C16 Ru2 C12 102.4(14) . . . . ? C11 C16 Ru2 C12 -29.5(12) . . . . ? C15 C16 Ru2 C13 65.3(13) . . . . ? C11 C16 Ru2 C13 -66.5(13) . . . . ? C11 C16 Ru2 C15 -131.9(19) . . . . ? C14 C15 Ru2 N3 -149.7(14) . . . . ? C16 C15 Ru2 N3 77.7(13) . . . . ? C14 C15 Ru2 O4 79(4) . . . . ? C16 C15 Ru2 O4 -53(4) . . . . ? C16 C15 Ru2 C14 -133(2) . . . . ? C14 C15 Ru2 C11 102.0(15) . . . . ? C16 C15 Ru2 C11 -30.7(14) . . . . ? C14 C15 Ru2 O3 -63.2(15) . . . . ? C16 C15 Ru2 O3 164.1(11) . . . . ? C14 C15 Ru2 C12 64.4(15) . . . . ? C16 C15 Ru2 C12 -68.2(13) . . . . ? C14 C15 Ru2 C13 28.7(14) . . . . ? C16 C15 Ru2 C13 -104.0(14) . . . . ? C14 C15 Ru2 C16 133(2) . . . . ? _diffrn_measured_fraction_theta_max 0.768 _diffrn_reflns_theta_full 25.93 _diffrn_measured_fraction_theta_full 0.768 _refine_diff_density_max 0.503 _refine_diff_density_min -0.449 _refine_diff_density_rms 0.087 #===END data_d:compound2 _database_code_depnum_ccdc_archive 'CCDC 614960' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C114 H132 N12 O12 Ru6, (C F3 O3 S)6' _chemical_formula_sum 'C120 H132 F18 N12 O30 Ru6 S6' _chemical_formula_weight 3363.16 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' 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' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M 'C 2/c' _symmetry_space_group_name_Hall '-C 2yc' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 27.333(5) _cell_length_b 19.941(4) _cell_length_c 28.163(6) _cell_angle_alpha 90.00 _cell_angle_beta 99.68(3) _cell_angle_gamma 90.00 _cell_volume 15132(5) _cell_formula_units_Z 4 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 75152 _cell_measurement_theta_min 1.27 _cell_measurement_theta_max 25.59 _exptl_crystal_description block _exptl_crystal_colour red _exptl_crystal_size_max 0.15 _exptl_crystal_size_mid 0.14 _exptl_crystal_size_min 0.12 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.476 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 6792 _exptl_absorpt_coefficient_mu 0.757 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'STOE IPDS-2' _diffrn_measurement_method 'omega scans' _diffrn_detector_area_resol_mean 0.81\%A _diffrn_standards_number 0 _diffrn_standards_interval_count 0 _diffrn_standards_interval_time 0 _diffrn_standards_decay_% 0 _diffrn_reflns_number 55313 _diffrn_reflns_av_R_equivalents 0.0389 _diffrn_reflns_av_sigmaI/netI 0.0250 _diffrn_reflns_limit_h_min -32 _diffrn_reflns_limit_h_max 32 _diffrn_reflns_limit_k_min -23 _diffrn_reflns_limit_k_max 23 _diffrn_reflns_limit_l_min -33 _diffrn_reflns_limit_l_max 33 _diffrn_reflns_theta_min 1.27 _diffrn_reflns_theta_max 25.15 _reflns_number_total 13447 _reflns_number_gt 11378 _reflns_threshold_expression >2sigma(I) _computing_data_collection X-Area _computing_cell_refinement X-Area _computing_data_reduction X-RED _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'PLATON03 (Spek, 2003)' _computing_publication_material SHELXL-97 _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^)+(0.0936P)^2^+46.8945P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 13447 _refine_ls_number_parameters 667 _refine_ls_number_restraints 16 _refine_ls_R_factor_all 0.0598 _refine_ls_R_factor_gt 0.0525 _refine_ls_wR_factor_ref 0.1568 _refine_ls_wR_factor_gt 0.1503 _refine_ls_goodness_of_fit_ref 1.038 _refine_ls_restrained_S_all 1.038 _refine_ls_shift/su_max 0.003 _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 C1 C 0.40046(17) 1.4013(2) 0.02545(15) 0.0429(9) Uani 1 1 d . . . C2 C 0.37236(18) 1.3382(2) 0.00507(15) 0.0452(10) Uani 1 1 d . . . C3 C 0.49230(15) 0.79430(19) 0.27532(14) 0.0378(8) Uani 1 1 d . . . C4 C 0.37666(19) 1.3727(2) 0.14605(17) 0.0540(11) Uani 1 1 d . . . H4 H 0.3818 1.4188 0.1469 0.065 Uiso 1 1 calc R . . C5 C 0.40161(19) 1.3341(2) 0.18342(17) 0.0545(11) Uani 1 1 d . . . H5 H 0.4224 1.3539 0.2092 0.065 Uiso 1 1 calc R . . C6 C 0.39466(18) 1.2652(2) 0.18124(16) 0.0490(10) Uani 1 1 d . . . C7 C 0.36444(19) 1.2376(2) 0.14184(18) 0.0558(12) Uani 1 1 d . . . H7 H 0.3607 1.1913 0.1388 0.067 Uiso 1 1 calc R . . C8 C 0.3402(2) 1.2796(2) 0.10751(18) 0.0593(12) Uani 1 1 d . . . H8 H 0.3187 1.2610 0.0817 0.071 Uiso 1 1 calc R . . C9 C 0.50493(18) 1.3263(2) 0.10160(17) 0.0489(10) Uani 1 1 d . . . H9 H 0.5095 1.3714 0.0951 0.059 Uiso 1 1 calc R . . C10 C 0.52305(18) 1.3026(2) 0.14697(17) 0.0490(10) Uani 1 1 d . . . H10 H 0.5394 1.3311 0.1705 0.059 Uiso 1 1 calc R . . C11 C 0.51657(16) 1.2355(2) 0.15711(15) 0.0457(10) Uani 1 1 d . . . C12 C 0.4880(2) 1.1960(2) 0.12178(17) 0.0543(11) Uani 1 1 d . . . H12 H 0.4805 1.1518 0.1283 0.065 Uiso 1 1 calc R . . C13 C 0.4711(2) 1.2236(2) 0.07718(16) 0.0523(11) Uani 1 1 d . . . H13 H 0.4522 1.1972 0.0537 0.063 Uiso 1 1 calc R . . C14 C 0.4251(2) 0.9488(3) 0.18979(16) 0.0566(12) Uani 1 1 d . . . H14 H 0.4259 0.9310 0.1594 0.068 Uiso 1 1 calc R . . C15 C 0.4305(2) 1.0176(3) 0.19628(17) 0.0599(13) Uani 1 1 d . . . H15 H 0.4325 1.0457 0.1703 0.072 Uiso 1 1 calc R . . C16 C 0.43288(17) 1.0429(2) 0.24151(16) 0.0468(10) Uani 1 1 d . . . C17 C 0.4283(2) 1.0008(2) 0.27920(18) 0.0551(11) Uani 1 1 d . . . H17 H 0.4303 1.0172 0.3104 0.066 Uiso 1 1 calc R . . C18 C 0.42038(19) 0.9321(2) 0.26918(16) 0.0526(11) Uani 1 1 d . . . H18 H 0.4162 0.9031 0.2940 0.063 Uiso 1 1 calc R . . C19 C 0.43665(17) 1.1168(2) 0.24882(16) 0.0473(10) Uani 1 1 d . . . C20 C 0.41923(19) 1.2210(2) 0.22132(16) 0.0510(11) Uani 1 1 d . . . C21 C 0.46013(17) 1.2067(2) 0.29638(16) 0.0470(10) Uani 1 1 d . . . C22 C 0.5207(5) 1.2400(3) -0.0284(4) 0.122(4) Uani 1 1 d . . . C23 C 0.4813(4) 1.2534(4) -0.0669(3) 0.109(3) Uani 1 1 d . . . C24 C 0.4741(3) 1.3211(3) -0.0847(2) 0.0784(18) Uani 1 1 d . . . C25 C 0.5055(2) 1.3735(2) -0.06178(17) 0.0577(12) Uani 1 1 d . . . C26 C 0.5425(2) 1.3593(3) -0.02216(19) 0.0604(12) Uani 1 1 d . . . C27 C 0.5502(3) 1.2914(4) -0.0065(3) 0.090(2) Uani 1 1 d . . . C28 C 0.5308(6) 1.1688(4) -0.0088(5) 0.218(9) Uani 1 1 d . . . H28A H 0.5659 1.1621 0.0001 0.327 Uiso 1 1 calc R . . H28B H 0.5176 1.1369 -0.0332 0.327 Uiso 1 1 calc R . . H28C H 0.5151 1.1627 0.0189 0.327 Uiso 1 1 calc R . . C29 C 0.4477(5) 1.1984(5) -0.0871(4) 0.203(8) Uani 1 1 d . . . H29A H 0.4154 1.2163 -0.0990 0.305 Uiso 1 1 calc R . . H29B H 0.4454 1.1659 -0.0624 0.305 Uiso 1 1 calc R . . H29C H 0.4607 1.1773 -0.1130 0.305 Uiso 1 1 calc R . . C30 C 0.4357(4) 1.3342(6) -0.1260(2) 0.133(4) Uani 1 1 d . . . H30A H 0.4466 1.3690 -0.1453 0.199 Uiso 1 1 calc R . . H30B H 0.4059 1.3482 -0.1150 0.199 Uiso 1 1 calc R . . H30C H 0.4293 1.2941 -0.1449 0.199 Uiso 1 1 calc R . . C31 C 0.4955(3) 1.4454(3) -0.0765(3) 0.086(2) Uani 1 1 d . . . H31A H 0.4951 1.4724 -0.0484 0.130 Uiso 1 1 calc R . . H31B H 0.4639 1.4485 -0.0973 0.130 Uiso 1 1 calc R . . H31C H 0.5211 1.4611 -0.0933 0.130 Uiso 1 1 calc R . . C32 C 0.5728(3) 1.4167(4) 0.0023(3) 0.098(2) Uani 1 1 d . . . H32A H 0.5763 1.4506 -0.0210 0.147 Uiso 1 1 calc R . . H32B H 0.6050 1.4006 0.0167 0.147 Uiso 1 1 calc R . . H32C H 0.5564 1.4352 0.0268 0.147 Uiso 1 1 calc R . . C33 C 0.5918(4) 1.2788(6) 0.0375(4) 0.156(5) Uani 1 1 d . . . H33A H 0.5840 1.2394 0.0543 0.235 Uiso 1 1 calc R . . H33B H 0.5941 1.3167 0.0587 0.235 Uiso 1 1 calc R . . H33C H 0.6229 1.2726 0.0265 0.235 Uiso 1 1 calc R . . C34 C 0.2558(3) 1.4423(5) 0.1033(3) 0.092(2) Uani 1 1 d . . . C35 C 0.2754(2) 1.4975(3) 0.0795(4) 0.094(3) Uani 1 1 d . . . C36 C 0.2696(3) 1.5003(3) 0.0279(4) 0.091(2) Uani 1 1 d . . . C37 C 0.2456(3) 1.4516(5) 0.0026(3) 0.095(2) Uani 1 1 d . . . C38 C 0.2276(2) 1.3935(3) 0.0249(3) 0.0777(18) Uani 1 1 d . . . C39 C 0.2316(2) 1.3903(4) 0.0741(3) 0.084(2) Uani 1 1 d . . . C40 C 0.2608(4) 1.4303(10) 0.1570(4) 0.241(10) Uani 1 1 d . . . H40A H 0.2365 1.4565 0.1696 0.361 Uiso 1 1 calc R . . H40B H 0.2934 1.4431 0.1725 0.361 Uiso 1 1 calc R . . H40C H 0.2555 1.3836 0.1628 0.361 Uiso 1 1 calc R . . C41 C 0.3020(4) 1.5527(5) 0.1122(5) 0.163(5) Uani 1 1 d . . . H41A H 0.3331 1.5631 0.1023 0.245 Uiso 1 1 calc R . . H41B H 0.3080 1.5373 0.1449 0.245 Uiso 1 1 calc R . . H41C H 0.2816 1.5921 0.1098 0.245 Uiso 1 1 calc R . . C42 C 0.2931(4) 1.5582(4) 0.0044(5) 0.185(7) Uani 1 1 d . . . H42A H 0.3148 1.5407 -0.0162 0.278 Uiso 1 1 calc R . . H42B H 0.3118 1.5858 0.0289 0.278 Uiso 1 1 calc R . . H42C H 0.2676 1.5846 -0.0144 0.278 Uiso 1 1 calc R . . C43 C 0.2415(4) 1.4563(8) -0.0523(4) 0.194(7) Uani 1 1 d . . . H43A H 0.2533 1.4993 -0.0607 0.291 Uiso 1 1 calc R . . H43B H 0.2074 1.4510 -0.0671 0.291 Uiso 1 1 calc R . . H43C H 0.2611 1.4216 -0.0634 0.291 Uiso 1 1 calc R . . C44 C 0.2080(3) 1.3372(5) -0.0100(4) 0.137(4) Uani 1 1 d . . . H44A H 0.2205 1.2950 0.0031 0.206 Uiso 1 1 calc R . . H44B H 0.2186 1.3446 -0.0403 0.206 Uiso 1 1 calc R . . H44C H 0.1724 1.3367 -0.0146 0.206 Uiso 1 1 calc R . . C45 C 0.2106(3) 1.3274(4) 0.0950(5) 0.161(6) Uani 1 1 d . . . H45A H 0.1861 1.3403 0.1140 0.241 Uiso 1 1 calc R . . H45B H 0.2370 1.3037 0.1149 0.241 Uiso 1 1 calc R . . H45C H 0.1957 1.2988 0.0691 0.241 Uiso 1 1 calc R . . C46 C 0.33273(19) 0.8291(3) 0.1586(2) 0.0686(15) Uani 1 1 d . . . C47 C 0.36085(18) 0.7838(3) 0.13705(17) 0.0611(13) Uani 1 1 d . . . C48 C 0.37564(18) 0.7213(3) 0.16143(18) 0.0583(12) Uani 1 1 d . . . C49 C 0.36397(19) 0.7060(2) 0.20723(19) 0.0564(12) Uani 1 1 d . . . C50 C 0.33804(18) 0.7559(3) 0.23026(18) 0.0576(12) Uani 1 1 d . . . C51 C 0.32132(17) 0.8169(3) 0.2053(2) 0.0597(13) Uani 1 1 d . . . C52 C 0.3147(3) 0.8930(4) 0.1329(3) 0.116(3) Uani 1 1 d . . . H52A H 0.3396 0.9271 0.1403 0.174 Uiso 1 1 calc R . . H52B H 0.2847 0.9073 0.1434 0.174 Uiso 1 1 calc R . . H52C H 0.3083 0.8852 0.0988 0.174 Uiso 1 1 calc R . . C53 C 0.3792(3) 0.7999(5) 0.09102(19) 0.099(3) Uani 1 1 d . . . H53A H 0.3758 0.8472 0.0847 0.149 Uiso 1 1 calc R . . H53B H 0.3600 0.7755 0.0649 0.149 Uiso 1 1 calc R . . H53C H 0.4135 0.7874 0.0939 0.149 Uiso 1 1 calc R . . C54 C 0.4078(2) 0.6721(4) 0.1383(3) 0.092(2) Uani 1 1 d . . . H54A H 0.4414 0.6739 0.1551 0.139 Uiso 1 1 calc R . . H54B H 0.4071 0.6841 0.1051 0.139 Uiso 1 1 calc R . . H54C H 0.3952 0.6274 0.1400 0.139 Uiso 1 1 calc R . . C55 C 0.3819(3) 0.6439(3) 0.2338(3) 0.0842(18) Uani 1 1 d . . . H55A H 0.3898 0.6108 0.2115 0.126 Uiso 1 1 calc R . . H55B H 0.3565 0.6268 0.2503 0.126 Uiso 1 1 calc R . . H55C H 0.4111 0.6539 0.2569 0.126 Uiso 1 1 calc R . . C56 C 0.3294(3) 0.7459(4) 0.2817(2) 0.087(2) Uani 1 1 d . . . H56A H 0.3399 0.7851 0.3004 0.131 Uiso 1 1 calc R . . H56B H 0.3480 0.7078 0.2956 0.131 Uiso 1 1 calc R . . H56C H 0.2947 0.7383 0.2818 0.131 Uiso 1 1 calc R . . C57 C 0.2944(2) 0.8706(4) 0.2304(3) 0.100(2) Uani 1 1 d . . . H57A H 0.2593 0.8620 0.2242 0.150 Uiso 1 1 calc R . . H57B H 0.3008 0.9141 0.2183 0.150 Uiso 1 1 calc R . . H57C H 0.3062 0.8691 0.2645 0.150 Uiso 1 1 calc R . . N1 N 0.48097(14) 1.28740(18) 0.06625(13) 0.0461(8) Uani 1 1 d . . . N2 N 0.34590(14) 1.34705(19) 0.10918(14) 0.0494(9) Uani 1 1 d . . . N3 N 0.41876(13) 0.90772(18) 0.22488(12) 0.0447(8) Uani 1 1 d . . . N4 N 0.41716(15) 1.15475(19) 0.21206(13) 0.0507(9) Uani 1 1 d . . . N5 N 0.44077(15) 1.24959(19) 0.26183(14) 0.0512(9) Uani 1 1 d . . . N6 N 0.45919(14) 1.13939(19) 0.29261(13) 0.0476(8) Uani 1 1 d . . . O1 O 0.44459(12) 1.40741(14) 0.01995(11) 0.0467(7) Uani 1 1 d . . . O2 O 0.39669(13) 1.29452(15) -0.01294(11) 0.0507(7) Uani 1 1 d . . . O3 O 0.32674(12) 1.33412(16) 0.00857(12) 0.0528(8) Uani 1 1 d . . . O4 O 0.37636(11) 1.44257(14) 0.04626(11) 0.0448(7) Uani 1 1 d . . . O5 O 0.47311(11) 0.79885(15) 0.18928(10) 0.0429(6) Uani 1 1 d . . . O6 O 0.44745(10) 0.78935(15) 0.27719(10) 0.0413(6) Uani 1 1 d . . . Ru1 Ru 0.473273(15) 1.318307(17) -0.006565(13) 0.04837(12) Uani 1 1 d . . . Ru2 Ru 0.304822(13) 1.406839(18) 0.055213(14) 0.04784(12) Uani 1 1 d . . . Ru3 Ru 0.401220(12) 0.805225(17) 0.209119(11) 0.03937(11) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.058(3) 0.031(2) 0.038(2) 0.0052(16) 0.0035(18) -0.0008(18) C2 0.066(3) 0.032(2) 0.036(2) 0.0065(16) 0.0035(19) 0.0014(19) C3 0.046(2) 0.0309(19) 0.035(2) 0.0015(15) 0.0017(17) 0.0024(16) C4 0.069(3) 0.035(2) 0.055(3) 0.0037(19) 0.003(2) -0.001(2) C5 0.070(3) 0.041(2) 0.048(2) 0.007(2) -0.002(2) 0.004(2) C6 0.060(3) 0.042(2) 0.043(2) 0.0119(18) 0.0031(19) 0.001(2) C7 0.067(3) 0.037(2) 0.058(3) 0.012(2) -0.004(2) -0.002(2) C8 0.071(3) 0.042(3) 0.058(3) 0.007(2) -0.009(2) -0.004(2) C9 0.057(3) 0.036(2) 0.053(3) -0.0050(19) 0.008(2) -0.0053(19) C10 0.059(3) 0.036(2) 0.050(2) -0.0117(18) 0.007(2) -0.0038(19) C11 0.050(2) 0.046(2) 0.040(2) -0.0061(18) 0.0041(18) -0.0032(18) C12 0.079(3) 0.040(2) 0.044(2) -0.0039(18) 0.007(2) -0.010(2) C13 0.080(3) 0.038(2) 0.038(2) -0.0054(18) 0.006(2) -0.010(2) C14 0.073(3) 0.051(3) 0.039(2) 0.003(2) -0.009(2) -0.010(2) C15 0.083(4) 0.048(3) 0.044(2) 0.006(2) -0.004(2) -0.008(2) C16 0.052(2) 0.039(2) 0.047(2) 0.0084(18) 0.0012(19) 0.0035(18) C17 0.079(3) 0.034(2) 0.051(3) 0.0042(19) 0.008(2) 0.005(2) C18 0.076(3) 0.037(2) 0.044(2) 0.0058(18) 0.006(2) 0.003(2) C19 0.053(2) 0.038(2) 0.049(2) 0.0056(18) 0.0011(19) 0.0013(18) C20 0.067(3) 0.043(2) 0.041(2) 0.0079(19) 0.002(2) 0.002(2) C21 0.057(3) 0.039(2) 0.043(2) 0.0081(18) 0.0050(19) 0.0059(19) C22 0.233(11) 0.039(3) 0.131(7) 0.013(4) 0.139(8) 0.025(5) C23 0.178(9) 0.074(5) 0.099(6) -0.037(4) 0.096(6) -0.042(5) C24 0.104(5) 0.085(4) 0.054(3) -0.021(3) 0.034(3) -0.025(4) C25 0.084(3) 0.048(3) 0.049(3) 0.001(2) 0.033(2) -0.001(2) C26 0.064(3) 0.061(3) 0.061(3) -0.003(2) 0.024(2) -0.004(2) C27 0.111(5) 0.090(5) 0.083(4) 0.034(4) 0.058(4) 0.051(4) C28 0.42(2) 0.046(4) 0.254(14) 0.050(6) 0.259(16) 0.073(8) C29 0.321(17) 0.170(10) 0.164(9) -0.148(9) 0.172(11) -0.151(11) C30 0.145(8) 0.207(11) 0.045(4) -0.033(5) 0.012(4) -0.041(7) C31 0.122(5) 0.061(4) 0.087(4) 0.022(3) 0.048(4) 0.013(4) C32 0.097(5) 0.114(6) 0.086(5) -0.020(4) 0.029(4) -0.043(4) C33 0.137(8) 0.206(11) 0.141(8) 0.085(8) 0.067(7) 0.117(8) C34 0.067(4) 0.129(7) 0.083(4) 0.002(4) 0.023(3) 0.032(4) C35 0.045(3) 0.051(3) 0.182(9) -0.019(4) 0.004(4) 0.000(2) C36 0.071(4) 0.056(4) 0.150(8) 0.034(4) 0.025(4) 0.021(3) C37 0.065(4) 0.121(6) 0.095(5) 0.054(5) -0.001(3) 0.036(4) C38 0.046(3) 0.066(4) 0.114(5) 0.002(3) -0.006(3) 0.009(2) C39 0.050(3) 0.080(4) 0.123(6) 0.038(4) 0.022(3) 0.017(3) C40 0.093(7) 0.55(3) 0.089(7) 0.020(12) 0.030(5) 0.056(12) C41 0.106(7) 0.119(8) 0.249(14) -0.066(9) -0.014(8) -0.008(6) C42 0.179(10) 0.069(5) 0.351(19) 0.078(8) 0.170(12) 0.061(6) C43 0.133(9) 0.309(19) 0.126(8) 0.103(10) -0.021(7) 0.075(10) C44 0.081(5) 0.109(7) 0.197(10) -0.018(7) -0.049(6) 0.006(5) C45 0.087(5) 0.105(6) 0.311(16) 0.105(8) 0.094(8) 0.048(5) C46 0.045(3) 0.080(4) 0.071(3) 0.014(3) -0.020(2) 0.001(3) C47 0.048(3) 0.090(4) 0.041(2) -0.006(2) -0.007(2) -0.018(3) C48 0.051(3) 0.065(3) 0.056(3) -0.020(2) 0.000(2) -0.019(2) C49 0.056(3) 0.047(3) 0.064(3) -0.007(2) 0.003(2) -0.009(2) C50 0.047(2) 0.068(3) 0.057(3) -0.010(2) 0.007(2) -0.011(2) C51 0.035(2) 0.066(3) 0.075(3) -0.007(3) -0.001(2) -0.002(2) C52 0.073(4) 0.106(6) 0.147(7) 0.048(5) -0.047(4) 0.014(4) C53 0.084(4) 0.173(8) 0.035(3) -0.008(3) -0.008(3) -0.038(5) C54 0.074(4) 0.094(5) 0.112(5) -0.056(4) 0.024(4) -0.021(4) C55 0.107(5) 0.054(3) 0.090(4) 0.002(3) 0.010(4) -0.004(3) C56 0.080(4) 0.122(6) 0.063(4) -0.009(4) 0.022(3) -0.024(4) C57 0.063(4) 0.095(5) 0.141(7) -0.021(5) 0.013(4) 0.012(4) N1 0.058(2) 0.0374(19) 0.0434(19) -0.0040(15) 0.0108(16) -0.0041(16) N2 0.051(2) 0.041(2) 0.054(2) 0.0081(17) 0.0049(17) 0.0009(16) N3 0.050(2) 0.042(2) 0.0375(18) 0.0040(15) -0.0056(15) 0.0023(15) N4 0.059(2) 0.041(2) 0.048(2) 0.0085(16) -0.0019(17) 0.0014(17) N5 0.062(2) 0.041(2) 0.047(2) 0.0055(16) 0.0008(17) 0.0044(17) N6 0.056(2) 0.043(2) 0.0411(19) 0.0057(15) -0.0002(16) 0.0012(16) O1 0.0589(19) 0.0354(15) 0.0492(17) -0.0022(12) 0.0187(14) -0.0061(13) O2 0.070(2) 0.0389(16) 0.0414(16) -0.0010(13) 0.0051(14) -0.0060(14) O3 0.0511(18) 0.0425(17) 0.0591(19) 0.0066(14) -0.0072(14) -0.0040(14) O4 0.0489(16) 0.0338(15) 0.0512(17) 0.0037(12) 0.0072(13) 0.0006(12) O5 0.0441(15) 0.0500(17) 0.0319(14) -0.0033(12) -0.0014(12) -0.0073(12) O6 0.0421(16) 0.0443(16) 0.0361(14) 0.0058(12) 0.0026(11) 0.0030(12) Ru1 0.0713(3) 0.03285(19) 0.0455(2) -0.00343(14) 0.02314(17) -0.00498(15) Ru2 0.0438(2) 0.0374(2) 0.0595(2) 0.01081(15) 0.00040(16) 0.00298(14) Ru3 0.03939(19) 0.03989(19) 0.03593(18) 0.00121(13) -0.00208(13) -0.00191(13) _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 C1 O1 1.247(5) . ? C1 O4 1.258(5) . ? C1 C2 1.534(6) . ? C2 O2 1.254(6) . ? C2 O3 1.270(6) . ? C3 O6 1.240(5) . ? C3 O5 1.257(5) 2_655 ? C3 C3 1.553(8) 2_655 ? C4 N2 1.324(6) . ? C4 C5 1.387(6) . ? C4 H4 0.9300 . ? C5 C6 1.388(7) . ? C5 H5 0.9300 . ? C6 C7 1.382(7) . ? C6 C20 1.499(6) . ? C7 C8 1.364(7) . ? C7 H7 0.9300 . ? C8 N2 1.354(6) . ? C8 H8 0.9300 . ? C9 N1 1.343(6) . ? C9 C10 1.375(7) . ? C9 H9 0.9300 . ? C10 C11 1.385(6) . ? C10 H10 0.9300 . ? C11 C12 1.400(6) . ? C11 C21 1.473(6) 2_655 ? C12 C13 1.378(7) . ? C12 H12 0.9300 . ? C13 N1 1.346(6) . ? C13 H13 0.9300 . ? C14 N3 1.317(6) . ? C14 C15 1.389(7) . ? C14 H14 0.9300 . ? C15 C16 1.361(7) . ? C15 H15 0.9300 . ? C16 C17 1.375(6) . ? C16 C19 1.489(6) . ? C17 C18 1.408(6) . ? C17 H17 0.9300 . ? C18 N3 1.333(6) . ? C18 H18 0.9300 . ? C19 N4 1.321(6) . ? C19 N6 1.360(6) . ? C20 N5 1.322(6) . ? C20 N4 1.345(6) . ? C21 N5 1.336(6) . ? C21 N6 1.347(6) . ? C21 C11 1.473(6) 2_655 ? C22 C27 1.384(14) . ? C22 C23 1.418(14) . ? C22 C28 1.532(10) . ? C22 Ru1 2.183(7) . ? C23 C24 1.443(11) . ? C23 C29 1.481(11) . ? C23 Ru1 2.176(6) . ? C24 C25 1.433(8) . ? C24 C30 1.453(11) . ? C24 Ru1 2.206(6) . ? C25 C26 1.404(8) . ? C25 C31 1.505(8) . ? C25 Ru1 2.205(5) . ? C26 C27 1.428(9) . ? C26 C32 1.509(8) . ? C26 Ru1 2.173(5) . ? C27 C33 1.553(12) . ? C27 Ru1 2.170(7) . ? C28 H28A 0.9600 . ? C28 H28B 0.9600 . ? C28 H28C 0.9600 . ? C29 H29A 0.9600 . ? C29 H29B 0.9600 . ? C29 H29C 0.9600 . ? C30 H30A 0.9600 . ? C30 H30B 0.9600 . ? C30 H30C 0.9600 . ? C31 H31A 0.9600 . ? C31 H31B 0.9600 . ? C31 H31C 0.9600 . ? C32 H32A 0.9600 . ? C32 H32B 0.9600 . ? C32 H32C 0.9600 . ? C33 H33A 0.9600 . ? C33 H33B 0.9600 . ? C33 H33C 0.9600 . ? C34 C39 1.416(11) . ? C34 C35 1.440(11) . ? C34 C40 1.512(12) . ? C34 Ru2 2.179(6) . ? C35 C36 1.438(12) . ? C35 C41 1.536(11) . ? C35 Ru2 2.137(6) . ? C36 C37 1.312(11) . ? C36 C42 1.526(10) . ? C36 Ru2 2.178(6) . ? C37 C38 1.443(10) . ? C37 C43 1.533(13) . ? C37 Ru2 2.191(5) . ? C38 C39 1.374(10) . ? C38 C44 1.529(11) . ? C38 Ru2 2.155(5) . ? C39 C45 1.537(10) . ? C39 Ru2 2.181(6) . ? C40 H40A 0.9600 . ? C40 H40B 0.9600 . ? C40 H40C 0.9600 . ? C41 H41A 0.9600 . ? C41 H41B 0.9600 . ? C41 H41C 0.9600 . ? C42 H42A 0.9600 . ? C42 H42B 0.9600 . ? C42 H42C 0.9600 . ? C43 H43A 0.9600 . ? C43 H43B 0.9600 . ? C43 H43C 0.9600 . ? C44 H44A 0.9600 . ? C44 H44B 0.9600 . ? C44 H44C 0.9600 . ? C45 H45A 0.9600 . ? C45 H45B 0.9600 . ? C45 H45C 0.9600 . ? C46 C47 1.390(8) . ? C46 C51 1.422(8) . ? C46 C52 1.506(8) . ? C46 Ru3 2.204(5) . ? C47 C48 1.448(8) . ? C47 C53 1.501(8) . ? C47 Ru3 2.183(4) . ? C48 C49 1.413(7) . ? C48 C54 1.535(8) . ? C48 Ru3 2.186(5) . ? C49 C50 1.438(7) . ? C49 C55 1.488(8) . ? C49 Ru3 2.221(5) . ? C50 C51 1.440(8) . ? C50 C56 1.521(8) . ? C50 Ru3 2.156(5) . ? C51 C57 1.539(8) . ? C51 Ru3 2.181(5) . ? C52 H52A 0.9600 . ? C52 H52B 0.9600 . ? C52 H52C 0.9600 . ? C53 H53A 0.9600 . ? C53 H53B 0.9600 . ? C53 H53C 0.9600 . ? C54 H54A 0.9600 . ? C54 H54B 0.9600 . ? C54 H54C 0.9600 . ? C55 H55A 0.9600 . ? C55 H55B 0.9600 . ? C55 H55C 0.9600 . ? C56 H56A 0.9600 . ? C56 H56B 0.9600 . ? C56 H56C 0.9600 . ? C57 H57A 0.9600 . ? C57 H57B 0.9600 . ? C57 H57C 0.9600 . ? N1 Ru1 2.118(4) . ? N2 Ru2 2.102(4) . ? N3 Ru3 2.129(4) . ? O1 Ru1 2.127(3) . ? O2 Ru1 2.124(3) . ? O3 Ru2 2.110(4) . ? O4 Ru2 2.136(3) . ? O5 C3 1.257(5) 2_655 ? O5 Ru3 2.135(3) . ? O6 Ru3 2.135(3) . ? 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 O1 C1 O4 125.9(4) . . ? O1 C1 C2 117.8(4) . . ? O4 C1 C2 116.2(4) . . ? O2 C2 O3 125.5(4) . . ? O2 C2 C1 117.1(4) . . ? O3 C2 C1 117.4(4) . . ? O6 C3 O5 126.1(4) . 2_655 ? O6 C3 C3 117.5(4) . 2_655 ? O5 C3 C3 116.4(4) 2_655 2_655 ? N2 C4 C5 123.2(4) . . ? N2 C4 H4 118.4 . . ? C5 C4 H4 118.4 . . ? C4 C5 C6 118.0(4) . . ? C4 C5 H5 121.0 . . ? C6 C5 H5 121.0 . . ? C7 C6 C5 119.3(4) . . ? C7 C6 C20 120.1(4) . . ? C5 C6 C20 120.6(4) . . ? C8 C7 C6 118.5(4) . . ? C8 C7 H7 120.7 . . ? C6 C7 H7 120.7 . . ? N2 C8 C7 123.1(5) . . ? N2 C8 H8 118.4 . . ? C7 C8 H8 118.4 . . ? N1 C9 C10 123.0(4) . . ? N1 C9 H9 118.5 . . ? C10 C9 H9 118.5 . . ? C9 C10 C11 119.0(4) . . ? C9 C10 H10 120.5 . . ? C11 C10 H10 120.5 . . ? C10 C11 C12 118.2(4) . . ? C10 C11 C21 120.6(4) . 2_655 ? C12 C11 C21 121.2(4) . 2_655 ? C13 C12 C11 118.9(4) . . ? C13 C12 H12 120.6 . . ? C11 C12 H12 120.6 . . ? N1 C13 C12 122.5(4) . . ? N1 C13 H13 118.7 . . ? C12 C13 H13 118.7 . . ? N3 C14 C15 122.7(5) . . ? N3 C14 H14 118.6 . . ? C15 C14 H14 118.6 . . ? C16 C15 C14 118.4(4) . . ? C16 C15 H15 120.8 . . ? C14 C15 H15 120.8 . . ? C15 C16 C17 120.0(4) . . ? C15 C16 C19 119.2(4) . . ? C17 C16 C19 120.7(4) . . ? C16 C17 C18 118.0(4) . . ? C16 C17 H17 121.0 . . ? C18 C17 H17 121.0 . . ? N3 C18 C17 121.5(4) . . ? N3 C18 H18 119.3 . . ? C17 C18 H18 119.3 . . ? N4 C19 N6 125.6(4) . . ? N4 C19 C16 116.7(4) . . ? N6 C19 C16 117.7(4) . . ? N5 C20 N4 126.1(4) . . ? N5 C20 C6 118.3(4) . . ? N4 C20 C6 115.6(4) . . ? N5 C21 N6 125.5(4) . . ? N5 C21 C11 117.2(4) . 2_655 ? N6 C21 C11 117.3(4) . 2_655 ? C27 C22 C23 120.8(6) . . ? C27 C22 C28 118.0(12) . . ? C23 C22 C28 121.1(12) . . ? C27 C22 Ru1 70.9(4) . . ? C23 C22 Ru1 70.7(5) . . ? C28 C22 Ru1 129.8(5) . . ? C22 C23 C24 118.9(7) . . ? C22 C23 C29 119.7(11) . . ? C24 C23 C29 121.3(11) . . ? C22 C23 Ru1 71.3(4) . . ? C24 C23 Ru1 71.9(3) . . ? C29 C23 Ru1 127.2(5) . . ? C25 C24 C23 119.3(7) . . ? C25 C24 C30 121.7(7) . . ? C23 C24 C30 119.0(8) . . ? C25 C24 Ru1 71.0(3) . . ? C23 C24 Ru1 69.6(4) . . ? C30 C24 Ru1 132.5(5) . . ? C26 C25 C24 120.5(5) . . ? C26 C25 C31 119.0(5) . . ? C24 C25 C31 120.2(6) . . ? C26 C25 Ru1 70.1(3) . . ? C24 C25 Ru1 71.1(3) . . ? C31 C25 Ru1 126.5(4) . . ? C25 C26 C27 119.0(6) . . ? C25 C26 C32 118.5(6) . . ? C27 C26 C32 122.5(7) . . ? C25 C26 Ru1 72.5(3) . . ? C27 C26 Ru1 70.7(4) . . ? C32 C26 Ru1 128.5(4) . . ? C22 C27 C26 121.3(7) . . ? C22 C27 C33 122.0(8) . . ? C26 C27 C33 116.7(9) . . ? C22 C27 Ru1 72.0(5) . . ? C26 C27 Ru1 70.9(3) . . ? C33 C27 Ru1 128.3(5) . . ? C22 C28 H28A 109.5 . . ? C22 C28 H28B 109.5 . . ? H28A C28 H28B 109.5 . . ? C22 C28 H28C 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? C23 C29 H29A 109.5 . . ? C23 C29 H29B 109.5 . . ? H29A C29 H29B 109.5 . . ? C23 C29 H29C 109.5 . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? C24 C30 H30A 109.5 . . ? C24 C30 H30B 109.5 . . ? H30A C30 H30B 109.5 . . ? C24 C30 H30C 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? C25 C31 H31A 109.5 . . ? C25 C31 H31B 109.5 . . ? H31A C31 H31B 109.5 . . ? C25 C31 H31C 109.5 . . ? H31A C31 H31C 109.5 . . ? H31B C31 H31C 109.5 . . ? C26 C32 H32A 109.5 . . ? C26 C32 H32B 109.5 . . ? H32A C32 H32B 109.5 . . ? C26 C32 H32C 109.5 . . ? H32A C32 H32C 109.5 . . ? H32B C32 H32C 109.5 . . ? C27 C33 H33A 109.5 . . ? C27 C33 H33B 109.5 . . ? H33A C33 H33B 109.5 . . ? C27 C33 H33C 109.5 . . ? H33A C33 H33C 109.5 . . ? H33B C33 H33C 109.5 . . ? C39 C34 C35 117.6(7) . . ? C39 C34 C40 114.8(10) . . ? C35 C34 C40 127.5(11) . . ? C39 C34 Ru2 71.1(4) . . ? C35 C34 Ru2 69.0(4) . . ? C40 C34 Ru2 127.5(6) . . ? C36 C35 C34 121.0(6) . . ? C36 C35 C41 122.6(9) . . ? C34 C35 C41 116.4(10) . . ? C36 C35 Ru2 72.1(4) . . ? C34 C35 Ru2 72.1(4) . . ? C41 C35 Ru2 129.2(5) . . ? C37 C36 C35 118.7(6) . . ? C37 C36 C42 122.2(10) . . ? C35 C36 C42 119.0(10) . . ? C37 C36 Ru2 73.1(4) . . ? C35 C36 Ru2 69.0(4) . . ? C42 C36 Ru2 127.4(5) . . ? C36 C37 C38 122.2(7) . . ? C36 C37 C43 116.5(9) . . ? C38 C37 C43 121.1(10) . . ? C36 C37 Ru2 72.0(4) . . ? C38 C37 Ru2 69.3(3) . . ? C43 C37 Ru2 128.9(6) . . ? C39 C38 C37 120.2(7) . . ? C39 C38 C44 125.0(8) . . ? C37 C38 C44 114.7(8) . . ? C39 C38 Ru2 72.6(4) . . ? C37 C38 Ru2 72.0(3) . . ? C44 C38 Ru2 124.1(5) . . ? C38 C39 C34 120.1(6) . . ? C38 C39 C45 116.9(9) . . ? C34 C39 C45 122.9(9) . . ? C38 C39 Ru2 70.5(3) . . ? C34 C39 Ru2 70.9(4) . . ? C45 C39 Ru2 129.3(4) . . ? C34 C40 H40A 109.5 . . ? C34 C40 H40B 109.5 . . ? H40A C40 H40B 109.5 . . ? C34 C40 H40C 109.5 . . ? H40A C40 H40C 109.5 . . ? H40B C40 H40C 109.5 . . ? C35 C41 H41A 109.5 . . ? C35 C41 H41B 109.5 . . ? H41A C41 H41B 109.5 . . ? C35 C41 H41C 109.5 . . ? H41A C41 H41C 109.5 . . ? H41B C41 H41C 109.5 . . ? C36 C42 H42A 109.5 . . ? C36 C42 H42B 109.5 . . ? H42A C42 H42B 109.5 . . ? C36 C42 H42C 109.5 . . ? H42A C42 H42C 109.5 . . ? H42B C42 H42C 109.5 . . ? C37 C43 H43A 109.5 . . ? C37 C43 H43B 109.5 . . ? H43A C43 H43B 109.5 . . ? C37 C43 H43C 109.5 . . ? H43A C43 H43C 109.5 . . ? H43B C43 H43C 109.5 . . ? C38 C44 H44A 109.5 . . ? C38 C44 H44B 109.5 . . ? H44A C44 H44B 109.5 . . ? C38 C44 H44C 109.5 . . ? H44A C44 H44C 109.5 . . ? H44B C44 H44C 109.5 . . ? C39 C45 H45A 109.5 . . ? C39 C45 H45B 109.5 . . ? H45A C45 H45B 109.5 . . ? C39 C45 H45C 109.5 . . ? H45A C45 H45C 109.5 . . ? H45B C45 H45C 109.5 . . ? C47 C46 C51 121.0(5) . . ? C47 C46 C52 120.0(6) . . ? C51 C46 C52 119.0(6) . . ? C47 C46 Ru3 70.7(3) . . ? C51 C46 Ru3 70.2(3) . . ? C52 C46 Ru3 131.8(4) . . ? C46 C47 C48 118.9(5) . . ? C46 C47 C53 121.9(6) . . ? C48 C47 C53 119.1(6) . . ? C46 C47 Ru3 72.4(3) . . ? C48 C47 Ru3 70.8(3) . . ? C53 C47 Ru3 124.8(4) . . ? C49 C48 C47 122.0(5) . . ? C49 C48 C54 119.0(6) . . ? C47 C48 C54 118.9(5) . . ? C49 C48 Ru3 72.7(3) . . ? C47 C48 Ru3 70.5(3) . . ? C54 C48 Ru3 127.1(4) . . ? C48 C49 C50 117.9(5) . . ? C48 C49 C55 122.2(5) . . ? C50 C49 C55 119.7(5) . . ? C48 C49 Ru3 70.0(3) . . ? C50 C49 Ru3 68.4(3) . . ? C55 C49 Ru3 128.2(4) . . ? C49 C50 C51 120.3(5) . . ? C49 C50 C56 120.4(5) . . ? C51 C50 C56 119.3(5) . . ? C49 C50 Ru3 73.3(3) . . ? C51 C50 Ru3 71.5(3) . . ? C56 C50 Ru3 125.7(4) . . ? C46 C51 C50 119.7(5) . . ? C46 C51 C57 120.1(6) . . ? C50 C51 C57 120.0(6) . . ? C46 C51 Ru3 72.0(3) . . ? C50 C51 Ru3 69.7(3) . . ? C57 C51 Ru3 127.2(4) . . ? C46 C52 H52A 109.5 . . ? C46 C52 H52B 109.5 . . ? H52A C52 H52B 109.5 . . ? C46 C52 H52C 109.5 . . ? H52A C52 H52C 109.5 . . ? H52B C52 H52C 109.5 . . ? C47 C53 H53A 109.5 . . ? C47 C53 H53B 109.5 . . ? H53A C53 H53B 109.5 . . ? C47 C53 H53C 109.5 . . ? H53A C53 H53C 109.5 . . ? H53B C53 H53C 109.5 . . ? C48 C54 H54A 109.5 . . ? C48 C54 H54B 109.5 . . ? H54A C54 H54B 109.5 . . ? C48 C54 H54C 109.5 . . ? H54A C54 H54C 109.5 . . ? H54B C54 H54C 109.5 . . ? C49 C55 H55A 109.5 . . ? C49 C55 H55B 109.5 . . ? H55A C55 H55B 109.5 . . ? C49 C55 H55C 109.5 . . ? H55A C55 H55C 109.5 . . ? H55B C55 H55C 109.5 . . ? C50 C56 H56A 109.5 . . ? C50 C56 H56B 109.5 . . ? H56A C56 H56B 109.5 . . ? C50 C56 H56C 109.5 . . ? H56A C56 H56C 109.5 . . ? H56B C56 H56C 109.5 . . ? C51 C57 H57A 109.5 . . ? C51 C57 H57B 109.5 . . ? H57A C57 H57B 109.5 . . ? C51 C57 H57C 109.5 . . ? H57A C57 H57C 109.5 . . ? H57B C57 H57C 109.5 . . ? C9 N1 C13 117.9(4) . . ? C9 N1 Ru1 120.4(3) . . ? C13 N1 Ru1 120.3(3) . . ? C4 N2 C8 117.7(4) . . ? C4 N2 Ru2 122.6(3) . . ? C8 N2 Ru2 119.6(3) . . ? C14 N3 C18 119.2(4) . . ? C14 N3 Ru3 119.6(3) . . ? C18 N3 Ru3 121.1(3) . . ? C19 N4 C20 114.4(4) . . ? C20 N5 C21 114.6(4) . . ? C21 N6 C19 113.7(4) . . ? C1 O1 Ru1 112.6(3) . . ? C2 O2 Ru1 113.1(3) . . ? C2 O3 Ru2 112.9(3) . . ? C1 O4 Ru2 113.5(3) . . ? C3 O5 Ru3 113.6(3) 2_655 . ? C3 O6 Ru3 113.0(2) . . ? N1 Ru1 O2 87.30(14) . . ? N1 Ru1 O1 83.43(13) . . ? O2 Ru1 O1 78.47(12) . . ? N1 Ru1 C27 89.4(2) . . ? O2 Ru1 C27 152.4(3) . . ? O1 Ru1 C27 128.4(3) . . ? N1 Ru1 C26 110.91(18) . . ? O2 Ru1 C26 161.13(17) . . ? O1 Ru1 C26 98.17(16) . . ? C27 Ru1 C26 38.4(2) . . ? N1 Ru1 C23 125.2(3) . . ? O2 Ru1 C23 91.6(3) . . ? O1 Ru1 C23 149.6(3) . . ? C27 Ru1 C23 68.2(4) . . ? C26 Ru1 C23 82.0(3) . . ? N1 Ru1 C22 95.6(3) . . ? O2 Ru1 C22 116.1(3) . . ? O1 Ru1 C22 165.4(4) . . ? C27 Ru1 C22 37.1(4) . . ? C26 Ru1 C22 68.5(3) . . ? C23 Ru1 C22 38.0(4) . . ? N1 Ru1 C25 147.31(18) . . ? O2 Ru1 C25 123.79(18) . . ? O1 Ru1 C25 92.60(15) . . ? C27 Ru1 C25 67.8(2) . . ? C26 Ru1 C25 37.4(2) . . ? C23 Ru1 C25 69.0(2) . . ? C22 Ru1 C25 80.3(2) . . ? N1 Ru1 C24 163.3(2) . . ? O2 Ru1 C24 95.6(2) . . ? O1 Ru1 C24 113.3(2) . . ? C27 Ru1 C24 80.5(3) . . ? C26 Ru1 C24 68.5(2) . . ? C23 Ru1 C24 38.4(3) . . ? C22 Ru1 C24 68.3(3) . . ? C25 Ru1 C24 37.9(2) . . ? N2 Ru2 O3 83.53(14) . . ? N2 Ru2 O4 83.47(13) . . ? O3 Ru2 O4 78.13(12) . . ? N2 Ru2 C35 115.6(3) . . ? O3 Ru2 C35 160.4(3) . . ? O4 Ru2 C35 99.03(19) . . ? N2 Ru2 C38 125.8(2) . . ? O3 Ru2 C38 91.7(2) . . ? O4 Ru2 C38 148.1(2) . . ? C35 Ru2 C38 80.5(2) . . ? N2 Ru2 C36 153.1(3) . . ? O3 Ru2 C36 121.5(3) . . ? O4 Ru2 C36 91.8(2) . . ? C35 Ru2 C36 38.9(3) . . ? C38 Ru2 C36 67.7(3) . . ? N2 Ru2 C34 92.5(2) . . ? O3 Ru2 C34 151.5(3) . . ? O4 Ru2 C34 129.6(3) . . ? C35 Ru2 C34 38.9(3) . . ? C38 Ru2 C34 67.8(3) . . ? C36 Ru2 C34 70.2(3) . . ? N2 Ru2 C39 97.9(2) . . ? O3 Ru2 C39 114.6(2) . . ? O4 Ru2 C39 167.3(2) . . ? C35 Ru2 C39 68.9(3) . . ? C38 Ru2 C39 36.9(3) . . ? C36 Ru2 C39 81.2(3) . . ? C34 Ru2 C39 37.9(3) . . ? N2 Ru2 C37 164.5(2) . . ? O3 Ru2 C37 96.5(3) . . ? O4 Ru2 C37 111.8(2) . . ? C35 Ru2 C37 66.3(3) . . ? C38 Ru2 C37 38.8(3) . . ? C36 Ru2 C37 35.0(3) . . ? C34 Ru2 C37 80.1(3) . . ? C39 Ru2 C37 67.9(3) . . ? N3 Ru3 O6 82.91(12) . . ? N3 Ru3 O5 85.80(13) . . ? O6 Ru3 O5 78.13(11) . . ? N3 Ru3 C50 122.89(18) . . ? O6 Ru3 C50 93.72(16) . . ? O5 Ru3 C50 149.32(17) . . ? N3 Ru3 C51 95.55(17) . . ? O6 Ru3 C51 119.78(18) . . ? O5 Ru3 C51 162.08(17) . . ? C50 Ru3 C51 38.8(2) . . ? N3 Ru3 C47 116.26(19) . . ? O6 Ru3 C47 159.43(19) . . ? O5 Ru3 C47 95.09(16) . . ? C50 Ru3 C47 82.21(19) . . ? C51 Ru3 C47 68.2(2) . . ? N3 Ru3 C48 154.26(18) . . ? O6 Ru3 C48 121.19(17) . . ? O5 Ru3 C48 90.40(15) . . ? C50 Ru3 C48 68.41(19) . . ? C51 Ru3 C48 80.6(2) . . ? C47 Ru3 C48 38.7(2) . . ? N3 Ru3 C46 93.67(19) . . ? O6 Ru3 C46 157.17(19) . . ? O5 Ru3 C46 124.27(19) . . ? C50 Ru3 C46 69.2(2) . . ? C51 Ru3 C46 37.9(2) . . ? C47 Ru3 C46 36.9(2) . . ? C48 Ru3 C46 67.7(2) . . ? N3 Ru3 C49 161.11(17) . . ? O6 Ru3 C49 95.11(16) . . ? O5 Ru3 C49 112.27(16) . . ? C50 Ru3 C49 38.3(2) . . ? C51 Ru3 C49 69.0(2) . . ? C47 Ru3 C49 69.2(2) . . ? C48 Ru3 C49 37.38(19) . . ? C46 Ru3 C49 80.8(2) . . ? 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 O1 C1 C2 O2 4.8(6) . . . . ? O4 C1 C2 O2 -175.4(4) . . . . ? O1 C1 C2 O3 -176.4(4) . . . . ? O4 C1 C2 O3 3.4(5) . . . . ? N2 C4 C5 C6 1.5(8) . . . . ? C4 C5 C6 C7 1.5(8) . . . . ? C4 C5 C6 C20 -177.9(5) . . . . ? C5 C6 C7 C8 -3.6(8) . . . . ? C20 C6 C7 C8 175.9(5) . . . . ? C6 C7 C8 N2 2.8(8) . . . . ? N1 C9 C10 C11 0.1(7) . . . . ? C9 C10 C11 C12 -5.4(7) . . . . ? C9 C10 C11 C21 173.7(4) . . . 2_655 ? C10 C11 C12 C13 5.5(7) . . . . ? C21 C11 C12 C13 -173.6(5) 2_655 . . . ? C11 C12 C13 N1 -0.2(8) . . . . ? N3 C14 C15 C16 4.6(8) . . . . ? C14 C15 C16 C17 -2.1(8) . . . . ? C14 C15 C16 C19 -177.5(5) . . . . ? C15 C16 C17 C18 -1.0(8) . . . . ? C19 C16 C17 C18 174.4(4) . . . . ? C16 C17 C18 N3 1.9(8) . . . . ? C15 C16 C19 N4 27.8(7) . . . . ? C17 C16 C19 N4 -147.6(5) . . . . ? C15 C16 C19 N6 -152.9(5) . . . . ? C17 C16 C19 N6 31.7(7) . . . . ? C7 C6 C20 N5 -168.6(5) . . . . ? C5 C6 C20 N5 10.8(7) . . . . ? C7 C6 C20 N4 11.6(7) . . . . ? C5 C6 C20 N4 -169.0(5) . . . . ? C27 C22 C23 C24 3.6(10) . . . . ? C28 C22 C23 C24 -178.6(6) . . . . ? Ru1 C22 C23 C24 55.9(5) . . . . ? C27 C22 C23 C29 -175.1(6) . . . . ? C28 C22 C23 C29 2.8(11) . . . . ? Ru1 C22 C23 C29 -122.8(6) . . . . ? C27 C22 C23 Ru1 -52.3(6) . . . . ? C28 C22 C23 Ru1 125.5(7) . . . . ? C22 C23 C24 C25 -2.9(9) . . . . ? C29 C23 C24 C25 175.7(6) . . . . ? Ru1 C23 C24 C25 52.7(5) . . . . ? C22 C23 C24 C30 176.3(7) . . . . ? C29 C23 C24 C30 -5.1(10) . . . . ? Ru1 C23 C24 C30 -128.2(6) . . . . ? C22 C23 C24 Ru1 -55.6(5) . . . . ? C29 C23 C24 Ru1 123.0(7) . . . . ? C23 C24 C25 C26 -0.4(8) . . . . ? C30 C24 C25 C26 -179.6(6) . . . . ? Ru1 C24 C25 C26 51.6(4) . . . . ? C23 C24 C25 C31 -173.9(5) . . . . ? C30 C24 C25 C31 7.0(9) . . . . ? Ru1 C24 C25 C31 -121.8(5) . . . . ? C23 C24 C25 Ru1 -52.1(5) . . . . ? C30 C24 C25 Ru1 128.8(6) . . . . ? C24 C25 C26 C27 3.1(7) . . . . ? C31 C25 C26 C27 176.6(5) . . . . ? Ru1 C25 C26 C27 55.1(4) . . . . ? C24 C25 C26 C32 -177.0(5) . . . . ? C31 C25 C26 C32 -3.4(7) . . . . ? Ru1 C25 C26 C32 -124.9(5) . . . . ? C24 C25 C26 Ru1 -52.1(4) . . . . ? C31 C25 C26 Ru1 121.5(5) . . . . ? C23 C22 C27 C26 -1.0(10) . . . . ? C28 C22 C27 C26 -178.9(6) . . . . ? Ru1 C22 C27 C26 -53.2(5) . . . . ? C23 C22 C27 C33 176.6(6) . . . . ? C28 C22 C27 C33 -1.3(10) . . . . ? Ru1 C22 C27 C33 124.4(6) . . . . ? C23 C22 C27 Ru1 52.2(6) . . . . ? C28 C22 C27 Ru1 -125.7(6) . . . . ? C25 C26 C27 C22 -2.4(8) . . . . ? C32 C26 C27 C22 177.6(6) . . . . ? Ru1 C26 C27 C22 53.6(5) . . . . ? C25 C26 C27 C33 179.9(5) . . . . ? C32 C26 C27 C33 -0.1(8) . . . . ? Ru1 C26 C27 C33 -124.1(5) . . . . ? C25 C26 C27 Ru1 -56.0(4) . . . . ? C32 C26 C27 Ru1 124.0(5) . . . . ? C39 C34 C35 C36 1.4(9) . . . . ? C40 C34 C35 C36 176.9(8) . . . . ? Ru2 C34 C35 C36 55.1(5) . . . . ? C39 C34 C35 C41 -179.2(6) . . . . ? C40 C34 C35 C41 -3.7(11) . . . . ? Ru2 C34 C35 C41 -125.5(6) . . . . ? C39 C34 C35 Ru2 -53.7(5) . . . . ? C40 C34 C35 Ru2 121.8(8) . . . . ? C34 C35 C36 C37 0.4(9) . . . . ? C41 C35 C36 C37 -178.9(7) . . . . ? Ru2 C35 C36 C37 55.6(6) . . . . ? C34 C35 C36 C42 -177.2(6) . . . . ? C41 C35 C36 C42 3.4(10) . . . . ? Ru2 C35 C36 C42 -122.1(6) . . . . ? C34 C35 C36 Ru2 -55.1(5) . . . . ? C41 C35 C36 Ru2 125.5(7) . . . . ? C35 C36 C37 C38 -3.8(10) . . . . ? C42 C36 C37 C38 173.8(6) . . . . ? Ru2 C36 C37 C38 49.8(6) . . . . ? C35 C36 C37 C43 -178.8(7) . . . . ? C42 C36 C37 C43 -1.2(10) . . . . ? Ru2 C36 C37 C43 -125.2(7) . . . . ? C35 C36 C37 Ru2 -53.6(5) . . . . ? C42 C36 C37 Ru2 124.0(7) . . . . ? C36 C37 C38 C39 5.4(9) . . . . ? C43 C37 C38 C39 -179.8(7) . . . . ? Ru2 C37 C38 C39 56.4(5) . . . . ? C36 C37 C38 C44 -170.9(7) . . . . ? C43 C37 C38 C44 3.9(9) . . . . ? Ru2 C37 C38 C44 -119.9(5) . . . . ? C36 C37 C38 Ru2 -51.0(6) . . . . ? C43 C37 C38 Ru2 123.8(7) . . . . ? C37 C38 C39 C34 -3.4(9) . . . . ? C44 C38 C39 C34 172.5(6) . . . . ? Ru2 C38 C39 C34 52.7(5) . . . . ? C37 C38 C39 C45 178.9(5) . . . . ? C44 C38 C39 C45 -5.3(9) . . . . ? Ru2 C38 C39 C45 -125.0(5) . . . . ? C37 C38 C39 Ru2 -56.1(5) . . . . ? C44 C38 C39 Ru2 119.8(6) . . . . ? C35 C34 C39 C38 0.2(9) . . . . ? C40 C34 C39 C38 -175.9(7) . . . . ? Ru2 C34 C39 C38 -52.5(5) . . . . ? C35 C34 C39 C45 177.8(5) . . . . ? C40 C34 C39 C45 1.7(10) . . . . ? Ru2 C34 C39 C45 125.1(6) . . . . ? C35 C34 C39 Ru2 52.7(5) . . . . ? C40 C34 C39 Ru2 -123.4(7) . . . . ? C51 C46 C47 C48 4.2(7) . . . . ? C52 C46 C47 C48 -177.0(5) . . . . ? Ru3 C46 C47 C48 55.2(4) . . . . ? C51 C46 C47 C53 -171.5(5) . . . . ? C52 C46 C47 C53 7.3(8) . . . . ? Ru3 C46 C47 C53 -120.5(5) . . . . ? C51 C46 C47 Ru3 -51.0(4) . . . . ? C52 C46 C47 Ru3 127.8(5) . . . . ? C46 C47 C48 C49 -2.4(7) . . . . ? C53 C47 C48 C49 173.4(5) . . . . ? Ru3 C47 C48 C49 53.6(4) . . . . ? C46 C47 C48 C54 -178.4(5) . . . . ? C53 C47 C48 C54 -2.6(7) . . . . ? Ru3 C47 C48 C54 -122.4(4) . . . . ? C46 C47 C48 Ru3 -56.0(4) . . . . ? C53 C47 C48 Ru3 119.9(4) . . . . ? C47 C48 C49 C50 -2.1(7) . . . . ? C54 C48 C49 C50 173.9(4) . . . . ? Ru3 C48 C49 C50 50.5(4) . . . . ? C47 C48 C49 C55 -175.9(5) . . . . ? C54 C48 C49 C55 0.1(7) . . . . ? Ru3 C48 C49 C55 -123.3(5) . . . . ? C47 C48 C49 Ru3 -52.6(4) . . . . ? C54 C48 C49 Ru3 123.4(4) . . . . ? C48 C49 C50 C51 4.8(7) . . . . ? C55 C49 C50 C51 178.8(5) . . . . ? Ru3 C49 C50 C51 56.1(4) . . . . ? C48 C49 C50 C56 -173.3(5) . . . . ? C55 C49 C50 C56 0.7(7) . . . . ? Ru3 C49 C50 C56 -122.0(5) . . . . ? C48 C49 C50 Ru3 -51.2(4) . . . . ? C55 C49 C50 Ru3 122.7(5) . . . . ? C47 C46 C51 C50 -1.5(7) . . . . ? C52 C46 C51 C50 179.7(5) . . . . ? Ru3 C46 C51 C50 -52.7(4) . . . . ? C47 C46 C51 C57 174.3(5) . . . . ? C52 C46 C51 C57 -4.5(8) . . . . ? Ru3 C46 C51 C57 123.1(5) . . . . ? C47 C46 C51 Ru3 51.2(4) . . . . ? C52 C46 C51 Ru3 -127.6(5) . . . . ? C49 C50 C51 C46 -3.2(7) . . . . ? C56 C50 C51 C46 175.0(5) . . . . ? Ru3 C50 C51 C46 53.8(4) . . . . ? C49 C50 C51 C57 -179.0(5) . . . . ? C56 C50 C51 C57 -0.8(7) . . . . ? Ru3 C50 C51 C57 -122.0(5) . . . . ? C49 C50 C51 Ru3 -56.9(4) . . . . ? C56 C50 C51 Ru3 121.2(5) . . . . ? C10 C9 N1 C13 5.2(7) . . . . ? C10 C9 N1 Ru1 -161.6(4) . . . . ? C12 C13 N1 C9 -5.1(7) . . . . ? C12 C13 N1 Ru1 161.7(4) . . . . ? C5 C4 N2 C8 -2.3(8) . . . . ? C5 C4 N2 Ru2 175.9(4) . . . . ? C7 C8 N2 C4 0.1(8) . . . . ? C7 C8 N2 Ru2 -178.2(4) . . . . ? C15 C14 N3 C18 -3.8(8) . . . . ? C15 C14 N3 Ru3 171.9(4) . . . . ? C17 C18 N3 C14 0.5(7) . . . . ? C17 C18 N3 Ru3 -175.2(4) . . . . ? N6 C19 N4 C20 -2.5(7) . . . . ? C16 C19 N4 C20 176.7(4) . . . . ? N5 C20 N4 C19 3.8(7) . . . . ? C6 C20 N4 C19 -176.4(4) . . . . ? N4 C20 N5 C21 -2.7(7) . . . . ? C6 C20 N5 C21 177.6(4) . . . . ? N6 C21 N5 C20 0.2(7) . . . . ? C11 C21 N5 C20 -178.3(4) 2_655 . . . ? N5 C21 N6 C19 0.9(7) . . . . ? C11 C21 N6 C19 179.4(4) 2_655 . . . ? N4 C19 N6 C21 0.4(7) . . . . ? C16 C19 N6 C21 -178.8(4) . . . . ? O4 C1 O1 Ru1 170.2(3) . . . . ? C2 C1 O1 Ru1 -10.0(4) . . . . ? O3 C2 O2 Ru1 -175.5(3) . . . . ? C1 C2 O2 Ru1 3.2(4) . . . . ? O2 C2 O3 Ru2 166.4(3) . . . . ? C1 C2 O3 Ru2 -12.3(4) . . . . ? O1 C1 O4 Ru2 -172.9(3) . . . . ? C2 C1 O4 Ru2 7.4(4) . . . . ? O5 C3 O6 Ru3 166.9(3) 2_655 . . . ? C3 C3 O6 Ru3 -13.6(3) 2_655 . . . ? C9 N1 Ru1 O2 -131.1(4) . . . . ? C13 N1 Ru1 O2 62.4(4) . . . . ? C9 N1 Ru1 O1 -52.4(3) . . . . ? C13 N1 Ru1 O1 141.1(4) . . . . ? C9 N1 Ru1 C27 76.3(4) . . . . ? C13 N1 Ru1 C27 -90.2(4) . . . . ? C9 N1 Ru1 C26 43.8(4) . . . . ? C13 N1 Ru1 C26 -122.7(4) . . . . ? C9 N1 Ru1 C23 138.8(5) . . . . ? C13 N1 Ru1 C23 -27.7(5) . . . . ? C9 N1 Ru1 C22 112.9(5) . . . . ? C13 N1 Ru1 C22 -53.6(5) . . . . ? C9 N1 Ru1 C25 32.1(5) . . . . ? C13 N1 Ru1 C25 -134.4(4) . . . . ? C9 N1 Ru1 C24 128.5(7) . . . . ? C13 N1 Ru1 C24 -38.0(9) . . . . ? C2 O2 Ru1 N1 77.6(3) . . . . ? C2 O2 Ru1 O1 -6.3(3) . . . . ? C2 O2 Ru1 C27 161.0(4) . . . . ? C2 O2 Ru1 C26 -87.7(6) . . . . ? C2 O2 Ru1 C23 -157.3(4) . . . . ? C2 O2 Ru1 C22 172.5(4) . . . . ? C2 O2 Ru1 C25 -91.6(3) . . . . ? C2 O2 Ru1 C24 -118.9(3) . . . . ? C1 O1 Ru1 N1 -79.7(3) . . . . ? C1 O1 Ru1 O2 8.9(3) . . . . ? C1 O1 Ru1 C27 -163.6(3) . . . . ? C1 O1 Ru1 C26 170.0(3) . . . . ? C1 O1 Ru1 C23 82.0(5) . . . . ? C1 O1 Ru1 C22 -166.8(10) . . . . ? C1 O1 Ru1 C25 132.9(3) . . . . ? C1 O1 Ru1 C24 100.0(3) . . . . ? C22 C27 Ru1 N1 100.2(4) . . . . ? C26 C27 Ru1 N1 -126.1(4) . . . . ? C33 C27 Ru1 N1 -16.7(9) . . . . ? C22 C27 Ru1 O2 17.3(7) . . . . ? C26 C27 Ru1 O2 151.0(3) . . . . ? C33 C27 Ru1 O2 -99.6(10) . . . . ? C22 C27 Ru1 O1 -178.7(4) . . . . ? C26 C27 Ru1 O1 -45.0(4) . . . . ? C33 C27 Ru1 O1 64.4(9) . . . . ? C22 C27 Ru1 C26 -133.7(6) . . . . ? C33 C27 Ru1 C26 109.4(10) . . . . ? C22 C27 Ru1 C23 -28.4(4) . . . . ? C26 C27 Ru1 C23 105.2(4) . . . . ? C33 C27 Ru1 C23 -145.4(10) . . . . ? C26 C27 Ru1 C22 133.7(6) . . . . ? C33 C27 Ru1 C22 -116.9(10) . . . . ? C22 C27 Ru1 C25 -103.8(5) . . . . ? C26 C27 Ru1 C25 29.9(3) . . . . ? C33 C27 Ru1 C25 139.3(9) . . . . ? C22 C27 Ru1 C24 -66.4(5) . . . . ? C26 C27 Ru1 C24 67.2(4) . . . . ? C33 C27 Ru1 C24 176.6(9) . . . . ? C25 C26 Ru1 N1 -169.6(3) . . . . ? C27 C26 Ru1 N1 59.9(4) . . . . ? C32 C26 Ru1 N1 -56.7(6) . . . . ? C25 C26 Ru1 O2 -5.4(7) . . . . ? C27 C26 Ru1 O2 -135.9(6) . . . . ? C32 C26 Ru1 O2 107.5(7) . . . . ? C25 C26 Ru1 O1 -83.5(3) . . . . ? C27 C26 Ru1 O1 145.9(4) . . . . ? C32 C26 Ru1 O1 29.3(6) . . . . ? C25 C26 Ru1 C27 130.5(5) . . . . ? C32 C26 Ru1 C27 -116.6(8) . . . . ? C25 C26 Ru1 C23 65.7(4) . . . . ? C27 C26 Ru1 C23 -64.8(5) . . . . ? C32 C26 Ru1 C23 178.6(7) . . . . ? C25 C26 Ru1 C22 102.6(5) . . . . ? C27 C26 Ru1 C22 -28.0(5) . . . . ? C32 C26 Ru1 C22 -144.6(7) . . . . ? C27 C26 Ru1 C25 -130.5(5) . . . . ? C32 C26 Ru1 C25 112.9(7) . . . . ? C25 C26 Ru1 C24 28.3(3) . . . . ? C27 C26 Ru1 C24 -102.2(4) . . . . ? C32 C26 Ru1 C24 141.2(7) . . . . ? C22 C23 Ru1 N1 -44.9(5) . . . . ? C24 C23 Ru1 N1 -175.2(4) . . . . ? C29 C23 Ru1 N1 68.7(13) . . . . ? C22 C23 Ru1 O2 -132.8(5) . . . . ? C24 C23 Ru1 O2 96.9(5) . . . . ? C29 C23 Ru1 O2 -19.1(12) . . . . ? C22 C23 Ru1 O1 157.5(5) . . . . ? C24 C23 Ru1 O1 27.2(8) . . . . ? C29 C23 Ru1 O1 -88.8(11) . . . . ? C22 C23 Ru1 C27 27.8(4) . . . . ? C24 C23 Ru1 C27 -102.5(5) . . . . ? C29 C23 Ru1 C27 141.4(13) . . . . ? C22 C23 Ru1 C26 65.1(5) . . . . ? C24 C23 Ru1 C26 -65.3(5) . . . . ? C29 C23 Ru1 C26 178.7(12) . . . . ? C24 C23 Ru1 C22 -130.3(7) . . . . ? C29 C23 Ru1 C22 113.6(14) . . . . ? C22 C23 Ru1 C25 101.4(5) . . . . ? C24 C23 Ru1 C25 -28.9(4) . . . . ? C29 C23 Ru1 C25 -144.9(13) . . . . ? C22 C23 Ru1 C24 130.3(7) . . . . ? C29 C23 Ru1 C24 -116.0(14) . . . . ? C27 C22 Ru1 N1 -81.4(4) . . . . ? C23 C22 Ru1 N1 144.6(4) . . . . ? C28 C22 Ru1 N1 29.6(14) . . . . ? C27 C22 Ru1 O2 -171.2(3) . . . . ? C23 C22 Ru1 O2 54.8(4) . . . . ? C28 C22 Ru1 O2 -60.1(15) . . . . ? C27 C22 Ru1 O1 4.2(13) . . . . ? C23 C22 Ru1 O1 -129.9(11) . . . . ? C28 C22 Ru1 O1 115.2(12) . . . . ? C23 C22 Ru1 C27 -134.0(6) . . . . ? C28 C22 Ru1 C27 111.0(16) . . . . ? C27 C22 Ru1 C26 28.9(4) . . . . ? C23 C22 Ru1 C26 -105.2(4) . . . . ? C28 C22 Ru1 C26 139.9(15) . . . . ? C27 C22 Ru1 C23 134.0(6) . . . . ? C28 C22 Ru1 C23 -114.9(16) . . . . ? C27 C22 Ru1 C25 65.9(4) . . . . ? C23 C22 Ru1 C25 -68.2(4) . . . . ? C28 C22 Ru1 C25 176.9(14) . . . . ? C27 C22 Ru1 C24 103.4(4) . . . . ? C23 C22 Ru1 C24 -30.7(4) . . . . ? C28 C22 Ru1 C24 -145.6(15) . . . . ? C26 C25 Ru1 N1 18.2(5) . . . . ? C24 C25 Ru1 N1 152.3(4) . . . . ? C31 C25 Ru1 N1 -93.7(6) . . . . ? C26 C25 Ru1 O2 177.9(3) . . . . ? C24 C25 Ru1 O2 -48.0(4) . . . . ? C31 C25 Ru1 O2 66.0(6) . . . . ? C26 C25 Ru1 O1 100.1(3) . . . . ? C24 C25 Ru1 O1 -125.9(4) . . . . ? C31 C25 Ru1 O1 -11.8(6) . . . . ? C26 C25 Ru1 C27 -30.7(4) . . . . ? C24 C25 Ru1 C27 103.4(5) . . . . ? C31 C25 Ru1 C27 -142.6(6) . . . . ? C24 C25 Ru1 C26 134.1(5) . . . . ? C31 C25 Ru1 C26 -111.9(7) . . . . ? C26 C25 Ru1 C23 -104.8(5) . . . . ? C24 C25 Ru1 C23 29.3(5) . . . . ? C31 C25 Ru1 C23 143.3(7) . . . . ? C26 C25 Ru1 C22 -67.1(5) . . . . ? C24 C25 Ru1 C22 67.0(5) . . . . ? C31 C25 Ru1 C22 -179.0(7) . . . . ? C26 C25 Ru1 C24 -134.1(5) . . . . ? C31 C25 Ru1 C24 114.0(7) . . . . ? C25 C24 Ru1 N1 -119.2(6) . . . . ? C23 C24 Ru1 N1 13.6(10) . . . . ? C30 C24 Ru1 N1 124.8(9) . . . . ? C25 C24 Ru1 O2 141.6(3) . . . . ? C23 C24 Ru1 O2 -85.6(5) . . . . ? C30 C24 Ru1 O2 25.6(8) . . . . ? C25 C24 Ru1 O1 61.8(4) . . . . ? C23 C24 Ru1 O1 -165.4(5) . . . . ? C30 C24 Ru1 O1 -54.2(8) . . . . ? C25 C24 Ru1 C27 -66.0(4) . . . . ? C23 C24 Ru1 C27 66.8(5) . . . . ? C30 C24 Ru1 C27 178.0(8) . . . . ? C25 C24 Ru1 C26 -28.0(3) . . . . ? C23 C24 Ru1 C26 104.8(5) . . . . ? C30 C24 Ru1 C26 -144.0(8) . . . . ? C25 C24 Ru1 C23 -132.8(7) . . . . ? C30 C24 Ru1 C23 111.2(10) . . . . ? C25 C24 Ru1 C22 -102.5(5) . . . . ? C23 C24 Ru1 C22 30.3(5) . . . . ? C30 C24 Ru1 C22 141.5(9) . . . . ? C23 C24 Ru1 C25 132.8(7) . . . . ? C30 C24 Ru1 C25 -116.0(9) . . . . ? C4 N2 Ru2 O3 136.3(4) . . . . ? C8 N2 Ru2 O3 -45.5(4) . . . . ? C4 N2 Ru2 O4 57.6(4) . . . . ? C8 N2 Ru2 O4 -124.2(4) . . . . ? C4 N2 Ru2 C35 -39.3(5) . . . . ? C8 N2 Ru2 C35 138.9(4) . . . . ? C4 N2 Ru2 C38 -136.2(4) . . . . ? C8 N2 Ru2 C38 42.0(5) . . . . ? C4 N2 Ru2 C36 -23.5(7) . . . . ? C8 N2 Ru2 C36 154.6(5) . . . . ? C4 N2 Ru2 C34 -71.9(5) . . . . ? C8 N2 Ru2 C34 106.2(5) . . . . ? C4 N2 Ru2 C39 -109.6(4) . . . . ? C8 N2 Ru2 C39 68.5(4) . . . . ? C4 N2 Ru2 C37 -132.7(10) . . . . ? C8 N2 Ru2 C37 45.5(11) . . . . ? C2 O3 Ru2 N2 -72.5(3) . . . . ? C2 O3 Ru2 O4 12.2(3) . . . . ? C2 O3 Ru2 C35 95.7(6) . . . . ? C2 O3 Ru2 C38 161.7(3) . . . . ? C2 O3 Ru2 C36 97.0(4) . . . . ? C2 O3 Ru2 C34 -155.8(4) . . . . ? C2 O3 Ru2 C39 -168.3(3) . . . . ? C2 O3 Ru2 C37 123.1(3) . . . . ? C1 O4 Ru2 N2 74.3(3) . . . . ? C1 O4 Ru2 O3 -10.4(3) . . . . ? C1 O4 Ru2 C35 -170.7(4) . . . . ? C1 O4 Ru2 C38 -84.2(4) . . . . ? C1 O4 Ru2 C36 -132.3(4) . . . . ? C1 O4 Ru2 C34 162.2(3) . . . . ? C1 O4 Ru2 C39 171.4(9) . . . . ? C1 O4 Ru2 C37 -102.8(4) . . . . ? C36 C35 Ru2 N2 168.7(4) . . . . ? C34 C35 Ru2 N2 -59.0(4) . . . . ? C41 C35 Ru2 N2 50.9(11) . . . . ? C36 C35 Ru2 O3 1.7(8) . . . . ? C34 C35 Ru2 O3 134.0(6) . . . . ? C41 C35 Ru2 O3 -116.1(10) . . . . ? C36 C35 Ru2 O4 81.6(4) . . . . ? C34 C35 Ru2 O4 -146.0(4) . . . . ? C41 C35 Ru2 O4 -36.2(11) . . . . ? C36 C35 Ru2 C38 -66.0(4) . . . . ? C34 C35 Ru2 C38 66.3(4) . . . . ? C41 C35 Ru2 C38 176.1(11) . . . . ? C34 C35 Ru2 C36 132.3(6) . . . . ? C41 C35 Ru2 C36 -117.8(12) . . . . ? C36 C35 Ru2 C34 -132.3(6) . . . . ? C41 C35 Ru2 C34 109.8(12) . . . . ? C36 C35 Ru2 C39 -102.5(4) . . . . ? C34 C35 Ru2 C39 29.8(4) . . . . ? C41 C35 Ru2 C39 139.7(11) . . . . ? C36 C35 Ru2 C37 -28.2(4) . . . . ? C34 C35 Ru2 C37 104.1(5) . . . . ? C41 C35 Ru2 C37 -146.1(11) . . . . ? C39 C38 Ru2 N2 47.5(5) . . . . ? C37 C38 Ru2 N2 178.5(4) . . . . ? C44 C38 Ru2 N2 -73.4(8) . . . . ? C39 C38 Ru2 O3 130.8(4) . . . . ? C37 C38 Ru2 O3 -98.2(5) . . . . ? C44 C38 Ru2 O3 9.9(7) . . . . ? C39 C38 Ru2 O4 -159.2(4) . . . . ? C37 C38 Ru2 O4 -28.1(7) . . . . ? C44 C38 Ru2 O4 80.0(8) . . . . ? C39 C38 Ru2 C35 -67.3(5) . . . . ? C37 C38 Ru2 C35 63.7(5) . . . . ? C44 C38 Ru2 C35 171.8(8) . . . . ? C39 C38 Ru2 C36 -105.7(5) . . . . ? C37 C38 Ru2 C36 25.3(5) . . . . ? C44 C38 Ru2 C36 133.5(8) . . . . ? C39 C38 Ru2 C34 -28.9(4) . . . . ? C37 C38 Ru2 C34 102.1(5) . . . . ? C44 C38 Ru2 C34 -149.7(8) . . . . ? C37 C38 Ru2 C39 131.0(6) . . . . ? C44 C38 Ru2 C39 -120.8(9) . . . . ? C39 C38 Ru2 C37 -131.0(6) . . . . ? C44 C38 Ru2 C37 108.1(9) . . . . ? C37 C36 Ru2 N2 -153.9(5) . . . . ? C35 C36 Ru2 N2 -23.0(7) . . . . ? C42 C36 Ru2 N2 88.1(12) . . . . ? C37 C36 Ru2 O3 49.8(5) . . . . ? C35 C36 Ru2 O3 -179.3(3) . . . . ? C42 C36 Ru2 O3 -68.2(11) . . . . ? C37 C36 Ru2 O4 127.0(5) . . . . ? C35 C36 Ru2 O4 -102.1(4) . . . . ? C42 C36 Ru2 O4 9.0(11) . . . . ? C37 C36 Ru2 C35 -130.9(6) . . . . ? C42 C36 Ru2 C35 111.1(12) . . . . ? C37 C36 Ru2 C38 -27.9(5) . . . . ? C35 C36 Ru2 C38 103.0(4) . . . . ? C42 C36 Ru2 C38 -145.9(11) . . . . ? C37 C36 Ru2 C34 -101.3(5) . . . . ? C35 C36 Ru2 C34 29.6(4) . . . . ? C42 C36 Ru2 C34 140.7(11) . . . . ? C37 C36 Ru2 C39 -63.7(5) . . . . ? C35 C36 Ru2 C39 67.2(4) . . . . ? C42 C36 Ru2 C39 178.3(11) . . . . ? C35 C36 Ru2 C37 130.9(6) . . . . ? C42 C36 Ru2 C37 -118.0(13) . . . . ? C39 C34 Ru2 N2 -99.7(4) . . . . ? C35 C34 Ru2 N2 129.3(4) . . . . ? C40 C34 Ru2 N2 7.6(11) . . . . ? C39 C34 Ru2 O3 -18.7(7) . . . . ? C35 C34 Ru2 O3 -149.6(5) . . . . ? C40 C34 Ru2 O3 88.6(12) . . . . ? C39 C34 Ru2 O4 176.7(3) . . . . ? C35 C34 Ru2 O4 45.7(5) . . . . ? C40 C34 Ru2 O4 -76.1(12) . . . . ? C39 C34 Ru2 C35 131.0(6) . . . . ? C40 C34 Ru2 C35 -121.8(13) . . . . ? C39 C34 Ru2 C38 28.2(4) . . . . ? C35 C34 Ru2 C38 -102.8(5) . . . . ? C40 C34 Ru2 C38 135.5(12) . . . . ? C39 C34 Ru2 C36 101.4(5) . . . . ? C35 C34 Ru2 C36 -29.6(4) . . . . ? C40 C34 Ru2 C36 -151.4(12) . . . . ? C35 C34 Ru2 C39 -131.0(6) . . . . ? C40 C34 Ru2 C39 107.3(13) . . . . ? C39 C34 Ru2 C37 66.6(5) . . . . ? C35 C34 Ru2 C37 -64.4(5) . . . . ? C40 C34 Ru2 C37 173.9(12) . . . . ? C38 C39 Ru2 N2 -142.9(4) . . . . ? C34 C39 Ru2 N2 83.9(4) . . . . ? C45 C39 Ru2 N2 -33.5(10) . . . . ? C38 C39 Ru2 O3 -56.4(4) . . . . ? C34 C39 Ru2 O3 170.3(4) . . . . ? C45 C39 Ru2 O3 53.0(10) . . . . ? C38 C39 Ru2 O4 121.6(9) . . . . ? C34 C39 Ru2 O4 -11.7(11) . . . . ? C45 C39 Ru2 O4 -129.0(10) . . . . ? C38 C39 Ru2 C35 102.7(5) . . . . ? C34 C39 Ru2 C35 -30.6(5) . . . . ? C45 C39 Ru2 C35 -148.0(10) . . . . ? C34 C39 Ru2 C38 -133.3(6) . . . . ? C45 C39 Ru2 C38 109.4(11) . . . . ? C38 C39 Ru2 C36 64.3(5) . . . . ? C34 C39 Ru2 C36 -69.0(5) . . . . ? C45 C39 Ru2 C36 173.7(10) . . . . ? C38 C39 Ru2 C34 133.3(6) . . . . ? C45 C39 Ru2 C34 -117.4(11) . . . . ? C38 C39 Ru2 C37 30.6(4) . . . . ? C34 C39 Ru2 C37 -102.6(5) . . . . ? C45 C39 Ru2 C37 140.0(10) . . . . ? C36 C37 Ru2 N2 131.8(10) . . . . ? C38 C37 Ru2 N2 -4.5(13) . . . . ? C43 C37 Ru2 N2 -118.3(11) . . . . ? C36 C37 Ru2 O3 -139.1(5) . . . . ? C38 C37 Ru2 O3 84.7(4) . . . . ? C43 C37 Ru2 O3 -29.1(11) . . . . ? C36 C37 Ru2 O4 -59.3(5) . . . . ? C38 C37 Ru2 O4 164.4(4) . . . . ? C43 C37 Ru2 O4 50.7(11) . . . . ? C36 C37 Ru2 C35 31.3(5) . . . . ? C38 C37 Ru2 C35 -105.0(5) . . . . ? C43 C37 Ru2 C35 141.2(11) . . . . ? C36 C37 Ru2 C38 136.3(7) . . . . ? C43 C37 Ru2 C38 -113.8(12) . . . . ? C38 C37 Ru2 C36 -136.3(7) . . . . ? C43 C37 Ru2 C36 109.9(12) . . . . ? C36 C37 Ru2 C34 69.5(5) . . . . ? C38 C37 Ru2 C34 -66.8(5) . . . . ? C43 C37 Ru2 C34 179.4(11) . . . . ? C36 C37 Ru2 C39 107.0(6) . . . . ? C38 C37 Ru2 C39 -29.3(4) . . . . ? C43 C37 Ru2 C39 -143.1(11) . . . . ? C14 N3 Ru3 O6 143.6(4) . . . . ? C18 N3 Ru3 O6 -40.7(4) . . . . ? C14 N3 Ru3 O5 65.1(4) . . . . ? C18 N3 Ru3 O5 -119.2(4) . . . . ? C14 N3 Ru3 C50 -126.5(4) . . . . ? C18 N3 Ru3 C50 49.2(4) . . . . ? C14 N3 Ru3 C51 -97.0(4) . . . . ? C18 N3 Ru3 C51 78.7(4) . . . . ? C14 N3 Ru3 C47 -28.5(4) . . . . ? C18 N3 Ru3 C47 147.1(4) . . . . ? C14 N3 Ru3 C48 -17.1(6) . . . . ? C18 N3 Ru3 C48 158.6(4) . . . . ? C14 N3 Ru3 C46 -59.0(4) . . . . ? C18 N3 Ru3 C46 116.6(4) . . . . ? C14 N3 Ru3 C49 -131.3(5) . . . . ? C18 N3 Ru3 C49 44.4(7) . . . . ? C3 O6 Ru3 N3 -76.8(3) . . . . ? C3 O6 Ru3 O5 10.4(3) . . . . ? C3 O6 Ru3 C50 160.5(3) . . . . ? C3 O6 Ru3 C51 -169.1(3) . . . . ? C3 O6 Ru3 C47 82.8(5) . . . . ? C3 O6 Ru3 C48 93.6(3) . . . . ? C3 O6 Ru3 C46 -159.4(5) . . . . ? C3 O6 Ru3 C49 122.1(3) . . . . ? C3 O5 Ru3 N3 78.6(3) 2_655 . . . ? C3 O5 Ru3 O6 -5.0(3) 2_655 . . . ? C3 O5 Ru3 C50 -82.0(4) 2_655 . . . ? C3 O5 Ru3 C51 173.7(5) 2_655 . . . ? C3 O5 Ru3 C47 -165.3(3) 2_655 . . . ? C3 O5 Ru3 C48 -126.8(3) 2_655 . . . ? C3 O5 Ru3 C46 170.2(3) 2_655 . . . ? C3 O5 Ru3 C49 -95.7(3) 2_655 . . . ? C49 C50 Ru3 N3 -177.5(3) . . . . ? C51 C50 Ru3 N3 51.6(3) . . . . ? C56 C50 Ru3 N3 -61.7(6) . . . . ? C49 C50 Ru3 O6 -93.5(3) . . . . ? C51 C50 Ru3 O6 135.6(3) . . . . ? C56 C50 Ru3 O6 22.3(5) . . . . ? C49 C50 Ru3 O5 -20.6(5) . . . . ? C51 C50 Ru3 O5 -151.6(3) . . . . ? C56 C50 Ru3 O5 95.2(6) . . . . ? C49 C50 Ru3 C51 130.9(4) . . . . ? C56 C50 Ru3 C51 -113.3(6) . . . . ? C49 C50 Ru3 C47 66.2(3) . . . . ? C51 C50 Ru3 C47 -64.7(3) . . . . ? C56 C50 Ru3 C47 -178.0(6) . . . . ? C49 C50 Ru3 C48 28.6(3) . . . . ? C51 C50 Ru3 C48 -102.3(3) . . . . ? C56 C50 Ru3 C48 144.5(6) . . . . ? C49 C50 Ru3 C46 102.0(3) . . . . ? C51 C50 Ru3 C46 -28.9(3) . . . . ? C56 C50 Ru3 C46 -142.2(6) . . . . ? C51 C50 Ru3 C49 -130.9(4) . . . . ? C56 C50 Ru3 C49 115.8(7) . . . . ? C46 C51 Ru3 N3 88.8(3) . . . . ? C50 C51 Ru3 N3 -138.6(3) . . . . ? C57 C51 Ru3 N3 -25.7(6) . . . . ? C46 C51 Ru3 O6 173.8(3) . . . . ? C50 C51 Ru3 O6 -53.6(3) . . . . ? C57 C51 Ru3 O6 59.3(6) . . . . ? C46 C51 Ru3 O5 -4.7(7) . . . . ? C50 C51 Ru3 O5 127.8(5) . . . . ? C57 C51 Ru3 O5 -119.3(7) . . . . ? C46 C51 Ru3 C50 -132.5(5) . . . . ? C57 C51 Ru3 C50 112.9(7) . . . . ? C46 C51 Ru3 C47 -27.2(3) . . . . ? C50 C51 Ru3 C47 105.3(3) . . . . ? C57 C51 Ru3 C47 -141.8(6) . . . . ? C46 C51 Ru3 C48 -65.5(4) . . . . ? C50 C51 Ru3 C48 67.1(3) . . . . ? C57 C51 Ru3 C48 179.9(6) . . . . ? C50 C51 Ru3 C46 132.5(5) . . . . ? C57 C51 Ru3 C46 -114.6(7) . . . . ? C46 C51 Ru3 C49 -102.4(4) . . . . ? C50 C51 Ru3 C49 30.1(3) . . . . ? C57 C51 Ru3 C49 143.0(6) . . . . ? C46 C47 Ru3 N3 -57.5(4) . . . . ? C48 C47 Ru3 N3 172.1(3) . . . . ? C53 C47 Ru3 N3 59.5(7) . . . . ? C46 C47 Ru3 O6 145.2(4) . . . . ? C48 C47 Ru3 O6 14.8(6) . . . . ? C53 C47 Ru3 O6 -97.9(7) . . . . ? C46 C47 Ru3 O5 -145.3(3) . . . . ? C48 C47 Ru3 O5 84.3(3) . . . . ? C53 C47 Ru3 O5 -28.4(6) . . . . ? C46 C47 Ru3 C50 65.4(4) . . . . ? C48 C47 Ru3 C50 -65.0(3) . . . . ? C53 C47 Ru3 C50 -177.6(6) . . . . ? C46 C47 Ru3 C51 27.9(3) . . . . ? C48 C47 Ru3 C51 -102.5(3) . . . . ? C53 C47 Ru3 C51 144.8(7) . . . . ? C46 C47 Ru3 C48 130.4(5) . . . . ? C53 C47 Ru3 C48 -112.6(7) . . . . ? C48 C47 Ru3 C46 -130.4(5) . . . . ? C53 C47 Ru3 C46 117.0(8) . . . . ? C46 C47 Ru3 C49 102.8(4) . . . . ? C48 C47 Ru3 C49 -27.6(3) . . . . ? C53 C47 Ru3 C49 -140.3(7) . . . . ? C49 C48 Ru3 N3 -150.9(4) . . . . ? C47 C48 Ru3 N3 -16.5(6) . . . . ? C54 C48 Ru3 N3 95.5(7) . . . . ? C49 C48 Ru3 O6 51.6(3) . . . . ? C47 C48 Ru3 O6 -174.0(3) . . . . ? C54 C48 Ru3 O6 -62.0(6) . . . . ? C49 C48 Ru3 O5 128.0(3) . . . . ? C47 C48 Ru3 O5 -97.7(3) . . . . ? C54 C48 Ru3 O5 14.4(6) . . . . ? C49 C48 Ru3 C50 -29.3(3) . . . . ? C47 C48 Ru3 C50 105.1(3) . . . . ? C54 C48 Ru3 C50 -142.9(6) . . . . ? C49 C48 Ru3 C51 -67.6(3) . . . . ? C47 C48 Ru3 C51 66.8(3) . . . . ? C54 C48 Ru3 C51 178.8(6) . . . . ? C49 C48 Ru3 C47 -134.4(5) . . . . ? C54 C48 Ru3 C47 112.0(7) . . . . ? C49 C48 Ru3 C46 -104.7(4) . . . . ? C47 C48 Ru3 C46 29.6(3) . . . . ? C54 C48 Ru3 C46 141.7(6) . . . . ? C47 C48 Ru3 C49 134.4(5) . . . . ? C54 C48 Ru3 C49 -113.6(7) . . . . ? C47 C46 Ru3 N3 130.7(3) . . . . ? C51 C46 Ru3 N3 -94.3(3) . . . . ? C52 C46 Ru3 N3 17.3(8) . . . . ? C47 C46 Ru3 O6 -148.9(4) . . . . ? C51 C46 Ru3 O6 -13.9(7) . . . . ? C52 C46 Ru3 O6 97.7(8) . . . . ? C47 C46 Ru3 O5 43.3(4) . . . . ? C51 C46 Ru3 O5 178.3(3) . . . . ? C52 C46 Ru3 O5 -70.2(8) . . . . ? C47 C46 Ru3 C50 -105.4(4) . . . . ? C51 C46 Ru3 C50 29.6(3) . . . . ? C52 C46 Ru3 C50 141.2(8) . . . . ? C47 C46 Ru3 C51 -135.0(5) . . . . ? C52 C46 Ru3 C51 111.6(9) . . . . ? C51 C46 Ru3 C47 135.0(5) . . . . ? C52 C46 Ru3 C47 -113.4(9) . . . . ? C47 C46 Ru3 C48 -31.0(3) . . . . ? C51 C46 Ru3 C48 104.0(4) . . . . ? C52 C46 Ru3 C48 -144.4(8) . . . . ? C47 C46 Ru3 C49 -67.5(3) . . . . ? C51 C46 Ru3 C49 67.5(3) . . . . ? C52 C46 Ru3 C49 179.1(8) . . . . ? C48 C49 Ru3 N3 139.3(5) . . . . ? C50 C49 Ru3 N3 6.5(7) . . . . ? C55 C49 Ru3 N3 -105.0(7) . . . . ? C48 C49 Ru3 O6 -137.7(3) . . . . ? C50 C49 Ru3 O6 89.5(3) . . . . ? C55 C49 Ru3 O6 -21.9(5) . . . . ? C48 C49 Ru3 O5 -58.4(3) . . . . ? C50 C49 Ru3 O5 168.8(3) . . . . ? C55 C49 Ru3 O5 57.3(6) . . . . ? C48 C49 Ru3 C50 132.8(5) . . . . ? C55 C49 Ru3 C50 -111.5(6) . . . . ? C48 C49 Ru3 C51 102.3(3) . . . . ? C50 C49 Ru3 C51 -30.4(3) . . . . ? C55 C49 Ru3 C51 -141.9(6) . . . . ? C48 C49 Ru3 C47 28.6(3) . . . . ? C50 C49 Ru3 C47 -104.2(3) . . . . ? C55 C49 Ru3 C47 144.3(6) . . . . ? C50 C49 Ru3 C48 -132.8(5) . . . . ? C55 C49 Ru3 C48 115.8(6) . . . . ? C48 C49 Ru3 C46 65.0(3) . . . . ? C50 C49 Ru3 C46 -67.8(3) . . . . ? C55 C49 Ru3 C46 -179.3(6) . . . . ? _diffrn_measured_fraction_theta_max 0.993 _diffrn_reflns_theta_full 25.15 _diffrn_measured_fraction_theta_full 0.993 _refine_diff_density_max 1.212 _refine_diff_density_min -1.381 _refine_diff_density_rms 0.102