data_3' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C31 H52 Os Ru2' _chemical_formula_weight 817.07 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' 'Os' 'Os' -1.2165 7.6030 '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 C2/c 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 11.1842(3) _cell_length_b 19.0686(8) _cell_length_c 29.0602(8) _cell_angle_alpha 90.00 _cell_angle_beta 91.9230(8) _cell_angle_gamma 90.00 _cell_volume 6194.1(4) _cell_formula_units_Z 8 _cell_measurement_temperature 153(2) _cell_measurement_reflns_used 28384 _cell_measurement_theta_min 3.00 _cell_measurement_theta_max 27.48 _exptl_crystal_description block _exptl_crystal_colour black _exptl_crystal_size_max 0.200 _exptl_crystal_size_mid 0.150 _exptl_crystal_size_min 0.030 _exptl_crystal_density_meas 'not measured' _exptl_crystal_density_diffrn 1.752 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3216 _exptl_absorpt_coefficient_mu 5.072 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.6912 _exptl_absorpt_correction_T_max 1.0000 _exptl_absorpt_process_details 'ABSCOR (T.Higashi, 2001)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 153(2) _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'Rigaku Rotating Anode ultraX18' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Rigaku R-AXIS RAPID Imaging Plate' _diffrn_measurement_method 'oscillation photograph' _diffrn_detector_area_resol_mean 100 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 28384 _diffrn_reflns_av_R_equivalents 0.0351 _diffrn_reflns_av_sigmaI/netI 0.0306 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -24 _diffrn_reflns_limit_k_max 24 _diffrn_reflns_limit_l_min -37 _diffrn_reflns_limit_l_max 37 _diffrn_reflns_theta_min 3.00 _diffrn_reflns_theta_max 27.48 _reflns_number_total 7287 _reflns_number_gt 6284 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'PROCESS-AUTO (T.Higashi, 1998)' _computing_cell_refinement 'PROCESS-AUTO (T.Higashi, 1998)' _computing_data_reduction 'PROCESS-AUTO (T.Higashi, 1998)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'ORTEX (P.McArdle, 1995)' _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^)+(0.0494P)^2^+41.6555P] 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 ref _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 7043 _refine_ls_number_parameters 202 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0441 _refine_ls_R_factor_gt 0.0387 _refine_ls_wR_factor_ref 0.0998 _refine_ls_wR_factor_gt 0.0964 _refine_ls_goodness_of_fit_ref 1.054 _refine_ls_restrained_S_all 1.054 _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 Os1 Os 0.97557(2) 0.192613(12) 0.626426(8) 0.02923(8) Uani 0.60 1 d P A 1 Ru1 Ru 0.78873(3) 0.102988(17) 0.625106(11) 0.03242(9) Uani 0.60 1 d P A 1 Ru2 Ru 0.75151(3) 0.245098(18) 0.618921(12) 0.03506(9) Uani 0.60 1 d P A 1 Ru1A Ru 0.97557(2) 0.192613(12) 0.626426(8) 0.02923(8) Uani 0.20 1 d P A 2 Ru2A Ru 0.78873(3) 0.102988(17) 0.625106(11) 0.03242(9) Uani 0.20 1 d P A 2 Os1A Os 0.75151(3) 0.245098(18) 0.618921(12) 0.03506(9) Uani 0.20 1 d P A 2 Ru2B Ru 0.97557(2) 0.192613(12) 0.626426(8) 0.02923(8) Uani 0.20 1 d P A 3 Os1B Os 0.78873(3) 0.102988(17) 0.625106(11) 0.03242(9) Uani 0.20 1 d P A 3 Ru1B Ru 0.75151(3) 0.245098(18) 0.618921(12) 0.03506(9) Uani 0.20 1 d P A 3 C1 C 1.1546(4) 0.1445(3) 0.6395(2) 0.0429(12) Uani 1 1 d . . . C2 C 1.1503(5) 0.1770(4) 0.5943(2) 0.0494(15) Uani 1 1 d . A . C3 C 1.1344(5) 0.2501(4) 0.5999(2) 0.0525(16) Uani 1 1 d . . . C4 C 1.1273(5) 0.2649(3) 0.6477(2) 0.0497(14) Uani 1 1 d . A . C5 C 1.1366(5) 0.1997(3) 0.67212(19) 0.0406(12) Uani 1 1 d . A . C6 C 1.1821(6) 0.0705(4) 0.6507(3) 0.069(2) Uani 1 1 d . A . H6A H 1.1472 0.0401 0.6266 0.103 Uiso 1 1 calc R . . H6B H 1.1482 0.0585 0.6803 0.103 Uiso 1 1 calc R . . H6C H 1.2690 0.0639 0.6525 0.103 Uiso 1 1 calc R . . C7 C 1.1713(7) 0.1381(6) 0.5506(3) 0.092(3) Uani 1 1 d . . . H7A H 1.1416 0.0900 0.5533 0.138 Uiso 1 1 calc R A . H7B H 1.2572 0.1372 0.5450 0.138 Uiso 1 1 calc R . . H7C H 1.1289 0.1616 0.5249 0.138 Uiso 1 1 calc R . . C8 C 1.1320(7) 0.3035(5) 0.5620(3) 0.088(3) Uani 1 1 d . A . H8A H 1.0883 0.3452 0.5718 0.132 Uiso 1 1 calc R . . H8B H 1.0921 0.2836 0.5345 0.132 Uiso 1 1 calc R . . H8C H 1.2141 0.3167 0.5550 0.132 Uiso 1 1 calc R . . C9 C 1.1185(8) 0.3359(4) 0.6709(4) 0.084(3) Uani 1 1 d . . . H9A H 1.0674 0.3669 0.6518 0.126 Uiso 1 1 calc R A . H9B H 1.1985 0.3565 0.6745 0.126 Uiso 1 1 calc R . . H9C H 1.0839 0.3302 0.7012 0.126 Uiso 1 1 calc R . . C10 C 1.1464(6) 0.1921(4) 0.7233(2) 0.0582(17) Uani 1 1 d . . . H10A H 1.1018 0.2302 0.7381 0.070 Uiso 1 1 calc R A . H10B H 1.1117 0.1467 0.7326 0.070 Uiso 1 1 calc R . . C11 C 1.2753(10) 0.1953(8) 0.7380(4) 0.067(4) Uani 0.60 1 d P A . H11A H 1.2833 0.1884 0.7714 0.101 Uiso 0.60 1 calc PR . . H11B H 1.3080 0.2412 0.7300 0.101 Uiso 0.60 1 calc PR . . H11C H 1.3194 0.1584 0.7223 0.101 Uiso 0.60 1 calc PR . . C12 C 0.7021(4) 0.0142(3) 0.58922(16) 0.041(2) Uiso 0.585(9) 1 d PG A 1 C13 C 0.8143(4) -0.0107(3) 0.60754(16) 0.039(2) Uiso 0.585(9) 1 d PG A 1 C14 C 0.8129(4) -0.0053(3) 0.65655(16) 0.042(2) Uiso 0.585(9) 1 d PG A 1 C15 C 0.6997(4) 0.0229(3) 0.66850(17) 0.040(2) Uiso 0.585(9) 1 d PG A 1 C16 C 0.6313(4) 0.0349(3) 0.62689(17) 0.039(2) Uiso 0.585(9) 1 d PG A 1 C17 C 0.6646(7) 0.0180(5) 0.5386(2) 0.090(5) Uiso 0.585(9) 1 d PG A 1 C18 C 0.9171(7) -0.0380(5) 0.5798(2) 0.078(4) Uiso 0.585(9) 1 d PG A 1 C19 C 0.9139(7) -0.0260(5) 0.6900(2) 0.080(4) Uiso 0.585(9) 1 d PG A 1 C20 C 0.6594(7) 0.0374(5) 0.7169(3) 0.099(5) Uiso 0.585(9) 1 d PG A 1 C21 C 0.5053(7) 0.0646(5) 0.6233(3) 0.098(5) Uiso 0.585(9) 1 d PG A 1 C12A C 0.6354(6) 0.0363(4) 0.5993(2) 0.041(3) Uiso 0.415(9) 1 d PG A 2 C13A C 0.7451(6) 0.0085(4) 0.5829(2) 0.044(3) Uiso 0.415(9) 1 d PG A 2 C14A C 0.8206(6) -0.0086(4) 0.6220(2) 0.039(3) Uiso 0.415(9) 1 d PG A 2 C15A C 0.7577(6) 0.0085(4) 0.6626(2) 0.039(3) Uiso 0.415(9) 1 d PG A 2 C16A C 0.6433(6) 0.0363(4) 0.6486(2) 0.037(3) Uiso 0.415(9) 1 d PG A 2 C17A C 0.5292(10) 0.0615(7) 0.5696(4) 0.095(7) Uiso 0.415(9) 1 d PG A 2 C18A C 0.7758(11) -0.0011(7) 0.5326(4) 0.085(6) Uiso 0.415(9) 1 d PG A 2 C19A C 0.9459(10) -0.0397(8) 0.6207(4) 0.133(11) Uiso 0.415(9) 1 d PG A 2 C20A C 0.8043(11) -0.0010(7) 0.7120(4) 0.105(8) Uiso 0.415(9) 1 d PG A 2 C21A C 0.5468(10) 0.0615(7) 0.6804(4) 0.102(8) Uiso 0.415(9) 1 d PG A 2 C22 C 0.6492(7) 0.3200(5) 0.5782(3) 0.051(5) Uiso 0.352(11) 1 d PG A 1 C23 C 0.7406(7) 0.3606(4) 0.6008(2) 0.024(4) Uiso 0.352(11) 1 d PG A 1 C24 C 0.7253(7) 0.3555(4) 0.6492(2) 0.036(3) Uiso 0.352(11) 1 d PG A 1 C25 C 0.6245(7) 0.3117(4) 0.6565(3) 0.034(3) Uiso 0.352(11) 1 d PG A 1 C26 C 0.5774(7) 0.2898(5) 0.6127(3) 0.037(3) Uiso 0.352(11) 1 d PG A 1 C27 C 0.6314(12) 0.3106(7) 0.5267(4) 0.067(6) Uiso 0.352(11) 1 d PG A 1 C28 C 0.8371(10) 0.4019(6) 0.5775(4) 0.038(4) Uiso 0.352(11) 1 d PG A 1 C29 C 0.8027(11) 0.3905(6) 0.6863(3) 0.047(4) Uiso 0.352(11) 1 d PG A 1 C30 C 0.5758(12) 0.2920(7) 0.7028(4) 0.075(7) Uiso 0.352(11) 1 d PG A 1 C31 C 0.4699(11) 0.2426(7) 0.6041(5) 0.129(13) Uiso 0.352(11) 1 d PG A 1 C22A C 0.6551(4) 0.3194(2) 0.56888(14) 0.037(2) Uiso 0.648(11) 1 d PG A 2 C23A C 0.7268(4) 0.3575(3) 0.60183(15) 0.057(4) Uiso 0.648(11) 1 d PG A 2 C24A C 0.6828(4) 0.3433(3) 0.64641(14) 0.046(2) Uiso 0.648(11) 1 d PG A 2 C25A C 0.5838(4) 0.2964(2) 0.64101(15) 0.0364(19) Uiso 0.648(11) 1 d PG A 2 C26A C 0.5667(4) 0.2817(2) 0.59310(15) 0.0364(18) Uiso 0.648(11) 1 d PG A 2 C27A C 0.6701(6) 0.3191(4) 0.5172(2) 0.053(2) Uiso 0.648(11) 1 d PG A 2 C28A C 0.8315(7) 0.4048(4) 0.5913(2) 0.068(3) Uiso 0.648(11) 1 d PG A 2 C29A C 0.7325(7) 0.3729(4) 0.6916(2) 0.070(3) Uiso 0.648(11) 1 d PG A 2 C30A C 0.5098(6) 0.2674(4) 0.6795(2) 0.066(3) Uiso 0.648(11) 1 d PG A 2 C31A C 0.4713(5) 0.2342(4) 0.5717(2) 0.060(3) Uiso 0.648(11) 1 d PG A 2 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 Os1 0.02598(12) 0.02648(13) 0.03541(13) 0.00044(8) 0.00369(9) -0.00046(8) Ru1 0.02580(16) 0.03014(17) 0.04155(18) -0.00019(12) 0.00457(12) 0.00050(12) Ru2 0.03089(17) 0.03125(18) 0.04357(19) 0.00001(13) 0.00934(13) 0.00364(13) Ru1A 0.02598(12) 0.02648(13) 0.03541(13) 0.00044(8) 0.00369(9) -0.00046(8) Ru2A 0.02580(16) 0.03014(17) 0.04155(18) -0.00019(12) 0.00457(12) 0.00050(12) Os1A 0.03089(17) 0.03125(18) 0.04357(19) 0.00001(13) 0.00934(13) 0.00364(13) Ru2B 0.02598(12) 0.02648(13) 0.03541(13) 0.00044(8) 0.00369(9) -0.00046(8) Os1B 0.02580(16) 0.03014(17) 0.04155(18) -0.00019(12) 0.00457(12) 0.00050(12) Ru1B 0.03089(17) 0.03125(18) 0.04357(19) 0.00001(13) 0.00934(13) 0.00364(13) C1 0.026(2) 0.043(3) 0.060(3) -0.001(2) 0.007(2) -0.001(2) C2 0.026(2) 0.076(5) 0.047(3) -0.007(3) 0.009(2) -0.009(3) C3 0.026(2) 0.072(5) 0.059(4) 0.023(3) -0.005(2) -0.013(3) C4 0.038(3) 0.043(3) 0.068(4) 0.006(3) -0.006(2) -0.015(2) C5 0.031(2) 0.044(3) 0.047(3) 0.002(2) 0.002(2) -0.004(2) C6 0.038(3) 0.045(4) 0.123(6) -0.001(4) -0.001(4) 0.013(3) C7 0.045(4) 0.173(10) 0.060(4) -0.033(5) 0.014(3) -0.004(5) C8 0.044(4) 0.124(8) 0.096(6) 0.062(6) -0.002(4) -0.022(4) C9 0.068(5) 0.046(4) 0.137(8) -0.017(4) -0.031(5) -0.008(4) C10 0.045(3) 0.078(5) 0.051(4) 0.005(3) -0.001(3) 0.003(3) C11 0.048(6) 0.112(11) 0.040(5) 0.004(6) -0.009(4) -0.013(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 Os1 C5 2.205(5) . ? Os1 C2 2.214(5) . ? Os1 C1 2.224(5) . ? Os1 C3 2.245(5) . ? Os1 C4 2.257(6) . ? Os1 Ru1 2.6988(4) . ? Os1 Ru2 2.7004(4) . ? Ru1 C16 2.190(5) . ? Ru1 C12 2.197(5) . ? Ru1 C15 2.236(5) . ? Ru1 C13 2.247(5) . ? Ru1 C14 2.271(5) . ? Ru1 Ru2 2.7466(5) . ? Ru2 C26 2.128(9) . ? Ru2 C22 2.158(9) . ? Ru2 C25 2.220(8) . ? Ru2 C23 2.267(7) . ? Ru2 C24 2.304(7) . ? C1 C5 1.435(8) . ? C1 C2 1.453(9) . ? C1 C6 1.478(9) . ? C2 C3 1.415(10) . ? C2 C7 1.496(9) . ? C3 C4 1.421(9) . ? C3 C8 1.500(9) . ? C4 C5 1.433(8) . ? C4 C9 1.517(10) . ? C5 C10 1.494(8) . ? C10 C11 1.491(13) . ? C12 C16 1.428(3) . ? C12 C13 1.428(3) . ? C12 C17 1.518(3) . ? C13 C14 1.428(3) . ? C13 C18 1.518(3) . ? C14 C15 1.428(3) . ? C14 C19 1.518(3) . ? C15 C16 1.428(3) . ? C15 C20 1.518(3) . ? C16 C21 1.518(3) . ? C12A C13A 1.432(5) . ? C12A C16A 1.432(5) . ? C12A C17A 1.522(5) . ? C13A C14A 1.432(5) . ? C13A C18A 1.523(5) . ? C14A C15A 1.432(5) . ? C14A C19A 1.523(5) . ? C15A C16A 1.432(5) . ? C15A C20A 1.523(5) . ? C16A C21A 1.523(5) . ? C22 C26 1.425(5) . ? C22 C23 1.425(5) . ? C22 C27 1.515(5) . ? C23 C24 1.425(5) . ? C23 C28 1.515(5) . ? C24 C25 1.425(5) . ? C24 C29 1.515(5) . ? C25 C26 1.425(5) . ? C25 C30 1.515(5) . ? C26 C31 1.515(5) . ? C22A C23A 1.427(3) . ? C22A C26A 1.427(3) . ? C22A C27A 1.517(3) . ? C23A C24A 1.427(3) . ? C23A C28A 1.517(3) . ? C24A C25A 1.427(3) . ? C24A C29A 1.517(3) . ? C25A C26A 1.427(3) . ? C25A C30A 1.517(3) . ? C26A C31A 1.517(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 C5 Os1 C2 63.1(2) . . ? C5 Os1 C1 37.8(2) . . ? C2 Os1 C1 38.2(2) . . ? C5 Os1 C3 62.4(2) . . ? C2 Os1 C3 37.0(3) . . ? C1 Os1 C3 62.7(2) . . ? C5 Os1 C4 37.4(2) . . ? C2 Os1 C4 62.0(2) . . ? C1 Os1 C4 62.6(2) . . ? C3 Os1 C4 36.8(2) . . ? C5 Os1 Ru1 131.58(14) . . ? C2 Os1 Ru1 127.09(18) . . ? C1 Os1 Ru1 115.70(15) . . ? C3 Os1 Ru1 157.74(18) . . ? C4 Os1 Ru1 164.91(16) . . ? C5 Os1 Ru2 139.70(15) . . ? C2 Os1 Ru2 147.71(17) . . ? C1 Os1 Ru2 174.03(15) . . ? C3 Os1 Ru2 122.28(17) . . ? C4 Os1 Ru2 118.90(17) . . ? Ru1 Os1 Ru2 61.154(11) . . ? C16 Ru1 C12 38.01(10) . . ? C16 Ru1 C15 37.63(10) . . ? C12 Ru1 C15 62.84(15) . . ? C16 Ru1 C13 62.77(15) . . ? C12 Ru1 C13 37.48(10) . . ? C15 Ru1 C13 62.06(15) . . ? C16 Ru1 C14 62.38(15) . . ? C12 Ru1 C14 62.28(15) . . ? C15 Ru1 C14 36.94(10) . . ? C13 Ru1 C14 36.86(10) . . ? C16 Ru1 Os1 176.35(13) . . ? C12 Ru1 Os1 145.48(13) . . ? C15 Ru1 Os1 141.61(13) . . ? C13 Ru1 Os1 120.63(13) . . ? C14 Ru1 Os1 119.25(13) . . ? C16 Ru1 Ru2 117.78(13) . . ? C12 Ru1 Ru2 131.74(13) . . ? C15 Ru1 Ru2 129.93(13) . . ? C13 Ru1 Ru2 163.12(12) . . ? C14 Ru1 Ru2 159.94(12) . . ? Os1 Ru1 Ru2 59.451(11) . . ? C26 Ru2 C22 38.84(17) . . ? C26 Ru2 C25 38.19(16) . . ? C22 Ru2 C25 63.5(2) . . ? C26 Ru2 C23 63.2(2) . . ? C22 Ru2 C23 37.48(15) . . ? C25 Ru2 C23 61.8(2) . . ? C26 Ru2 C24 62.6(2) . . ? C22 Ru2 C24 62.1(2) . . ? C25 Ru2 C24 36.66(14) . . ? C23 Ru2 C24 36.33(14) . . ? C26 Ru2 Os1 178.1(2) . . ? C22 Ru2 Os1 139.8(2) . . ? C25 Ru2 Os1 141.2(2) . . ? C23 Ru2 Os1 114.93(19) . . ? C24 Ru2 Os1 115.93(19) . . ? C26 Ru2 Ru1 122.5(2) . . ? C22 Ru2 Ru1 139.9(2) . . ? C25 Ru2 Ru1 129.1(2) . . ? C23 Ru2 Ru1 168.71(18) . . ? C24 Ru2 Ru1 153.82(16) . . ? Os1 Ru2 Ru1 59.395(10) . . ? C5 C1 C2 106.5(5) . . ? C5 C1 C6 126.0(6) . . ? C2 C1 C6 127.3(6) . . ? C5 C1 Os1 70.4(3) . . ? C2 C1 Os1 70.5(3) . . ? C6 C1 Os1 127.6(4) . . ? C3 C2 C1 108.4(5) . . ? C3 C2 C7 127.7(7) . . ? C1 C2 C7 123.7(7) . . ? C3 C2 Os1 72.7(3) . . ? C1 C2 Os1 71.2(3) . . ? C7 C2 Os1 126.2(4) . . ? C2 C3 C4 108.7(5) . . ? C2 C3 C8 125.6(7) . . ? C4 C3 C8 125.7(7) . . ? C2 C3 Os1 70.3(3) . . ? C4 C3 Os1 72.0(3) . . ? C8 C3 Os1 126.1(4) . . ? C3 C4 C5 107.8(6) . . ? C3 C4 C9 128.1(7) . . ? C5 C4 C9 124.0(6) . . ? C3 C4 Os1 71.2(3) . . ? C5 C4 Os1 69.3(3) . . ? C9 C4 Os1 127.4(5) . . ? C4 C5 C1 108.6(5) . . ? C4 C5 C10 125.4(6) . . ? C1 C5 C10 125.3(6) . . ? C4 C5 Os1 73.2(3) . . ? C1 C5 Os1 71.8(3) . . ? C10 C5 Os1 128.6(4) . . ? C11 C10 C5 108.7(6) . . ? C16 C12 C13 108.0 . . ? C16 C12 C17 126.0 . . ? C13 C12 C17 126.0 . . ? C16 C12 Ru1 70.74(18) . . ? C13 C12 Ru1 73.17(18) . . ? C17 C12 Ru1 121.79(18) . . ? C12 C13 C14 108.0 . . ? C12 C13 C18 126.0 . . ? C14 C13 C18 126.0 . . ? C12 C13 Ru1 69.35(18) . . ? C14 C13 Ru1 72.48(18) . . ? C18 C13 Ru1 123.78(17) . . ? C15 C14 C13 108.0 . . ? C15 C14 C19 126.0 . . ? C13 C14 C19 126.0 . . ? C15 C14 Ru1 70.21(18) . . ? C13 C14 Ru1 70.66(18) . . ? C19 C14 Ru1 124.73(17) . . ? C16 C15 C14 108.0 . . ? C16 C15 C20 126.0 . . ? C14 C15 C20 126.0 . . ? C16 C15 Ru1 69.42(18) . . ? C14 C15 Ru1 72.85(18) . . ? C20 C15 Ru1 123.35(18) . . ? C15 C16 C12 108.0 . . ? C15 C16 C21 126.0 . . ? C12 C16 C21 126.0 . . ? C15 C16 Ru1 72.94(19) . . ? C12 C16 Ru1 71.26(19) . . ? C21 C16 Ru1 121.53(18) . . ? C13A C12A C16A 108.0 . . ? C13A C12A C17A 126.0 . . ? C16A C12A C17A 126.0 . . ? C14A C13A C12A 108.0 . . ? C14A C13A C18A 126.0 . . ? C12A C13A C18A 126.0 . . ? C15A C14A C13A 108.0 . . ? C15A C14A C19A 126.0 . . ? C13A C14A C19A 126.0 . . ? C14A C15A C16A 108.0 . . ? C14A C15A C20A 126.0 . . ? C16A C15A C20A 126.0 . . ? C15A C16A C12A 108.0 . . ? C15A C16A C21A 126.0 . . ? C12A C16A C21A 126.0 . . ? C26 C22 C23 108.0 . . ? C26 C22 C27 126.0 . . ? C23 C22 C27 126.0 . . ? C26 C22 Ru2 69.4(3) . . ? C23 C22 Ru2 75.4(3) . . ? C27 C22 Ru2 120.9(3) . . ? C24 C23 C22 108.0 . . ? C24 C23 C28 126.0 . . ? C22 C23 C28 126.0 . . ? C24 C23 Ru2 73.2(3) . . ? C22 C23 Ru2 67.1(3) . . ? C28 C23 Ru2 125.2(3) . . ? C25 C24 C23 108.0 . . ? C25 C24 C29 126.0 . . ? C23 C24 C29 126.0 . . ? C25 C24 Ru2 68.5(3) . . ? C23 C24 Ru2 70.4(3) . . ? C29 C24 Ru2 126.7(3) . . ? C26 C25 C24 108.0 . . ? C26 C25 C30 126.0 . . ? C24 C25 C30 126.0 . . ? C26 C25 Ru2 67.4(3) . . ? C24 C25 Ru2 74.9(3) . . ? C30 C25 Ru2 123.3(3) . . ? C25 C26 C22 108.0 . . ? C25 C26 C31 126.0 . . ? C22 C26 C31 126.0 . . ? C25 C26 Ru2 74.4(3) . . ? C22 C26 Ru2 71.7(3) . . ? C31 C26 Ru2 119.7(3) . . ? C23A C22A C26A 108.0 . . ? C23A C22A C27A 126.0 . . ? C26A C22A C27A 126.0 . . ? C22A C23A C24A 108.0 . . ? C22A C23A C28A 126.0 . . ? C24A C23A C28A 126.0 . . ? C25A C24A C23A 108.0 . . ? C25A C24A C29A 126.0 . . ? C23A C24A C29A 126.0 . . ? C26A C25A C24A 108.0 . . ? C26A C25A C30A 126.0 . . ? C24A C25A C30A 126.0 . . ? C25A C26A C22A 108.0 . . ? C25A C26A C31A 126.0 . . ? C22A C26A C31A 126.0 . . ? 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 C5 Os1 Ru1 C16 91(2) . . . . ? C2 Os1 Ru1 C16 176(17) . . . . ? C1 Os1 Ru1 C16 133(2) . . . . ? C3 Os1 Ru1 C16 -147(2) . . . . ? C4 Os1 Ru1 C16 53(2) . . . . ? Ru2 Os1 Ru1 C16 -41(2) . . . . ? C5 Os1 Ru1 C12 -107.1(3) . . . . ? C2 Os1 Ru1 C12 -22.1(3) . . . . ? C1 Os1 Ru1 C12 -65.3(3) . . . . ? C3 Os1 Ru1 C12 15.1(5) . . . . ? C4 Os1 Ru1 C12 -145.2(7) . . . . ? Ru2 Os1 Ru1 C12 120.4(2) . . . . ? C5 Os1 Ru1 C15 15.4(3) . . . . ? C2 Os1 Ru1 C15 100.4(3) . . . . ? C1 Os1 Ru1 C15 57.2(3) . . . . ? C3 Os1 Ru1 C15 137.6(5) . . . . ? C4 Os1 Ru1 C15 -22.7(7) . . . . ? Ru2 Os1 Ru1 C15 -117.1(2) . . . . ? C5 Os1 Ru1 C13 -67.2(2) . . . . ? C2 Os1 Ru1 C13 17.8(3) . . . . ? C1 Os1 Ru1 C13 -25.3(2) . . . . ? C3 Os1 Ru1 C13 55.1(5) . . . . ? C4 Os1 Ru1 C13 -105.3(7) . . . . ? Ru2 Os1 Ru1 C13 160.36(14) . . . . ? C5 Os1 Ru1 C14 -24.4(2) . . . . ? C2 Os1 Ru1 C14 60.6(3) . . . . ? C1 Os1 Ru1 C14 17.4(2) . . . . ? C3 Os1 Ru1 C14 97.8(5) . . . . ? C4 Os1 Ru1 C14 -62.5(7) . . . . ? Ru2 Os1 Ru1 C14 -156.87(14) . . . . ? C5 Os1 Ru1 Ru2 132.5(2) . . . . ? C2 Os1 Ru1 Ru2 -142.5(2) . . . . ? C1 Os1 Ru1 Ru2 174.29(17) . . . . ? C3 Os1 Ru1 Ru2 -105.3(4) . . . . ? C4 Os1 Ru1 Ru2 94.4(7) . . . . ? C5 Os1 Ru2 C26 65(8) . . . . ? C2 Os1 Ru2 C26 -58(8) . . . . ? C1 Os1 Ru2 C26 127(8) . . . . ? C3 Os1 Ru2 C26 -19(8) . . . . ? C4 Os1 Ru2 C26 24(8) . . . . ? Ru1 Os1 Ru2 C26 -173(18) . . . . ? C5 Os1 Ru2 C22 105.9(4) . . . . ? C2 Os1 Ru2 C22 -18.0(5) . . . . ? C1 Os1 Ru2 C22 167.9(15) . . . . ? C3 Os1 Ru2 C22 21.8(4) . . . . ? C4 Os1 Ru2 C22 64.6(4) . . . . ? Ru1 Os1 Ru2 C22 -132.6(3) . . . . ? C5 Os1 Ru2 C25 -5.8(4) . . . . ? C2 Os1 Ru2 C25 -129.7(5) . . . . ? C1 Os1 Ru2 C25 56.1(15) . . . . ? C3 Os1 Ru2 C25 -90.0(4) . . . . ? C4 Os1 Ru2 C25 -47.1(4) . . . . ? Ru1 Os1 Ru2 C25 115.7(3) . . . . ? C5 Os1 Ru2 C23 69.6(3) . . . . ? C2 Os1 Ru2 C23 -54.3(4) . . . . ? C1 Os1 Ru2 C23 131.5(15) . . . . ? C3 Os1 Ru2 C23 -14.6(3) . . . . ? C4 Os1 Ru2 C23 28.3(3) . . . . ? Ru1 Os1 Ru2 C23 -168.97(18) . . . . ? C5 Os1 Ru2 C24 29.2(3) . . . . ? C2 Os1 Ru2 C24 -94.7(4) . . . . ? C1 Os1 Ru2 C24 91.1(15) . . . . ? C3 Os1 Ru2 C24 -54.9(3) . . . . ? C4 Os1 Ru2 C24 -12.1(3) . . . . ? Ru1 Os1 Ru2 C24 150.66(18) . . . . ? C5 Os1 Ru2 Ru1 -121.5(2) . . . . ? C2 Os1 Ru2 Ru1 114.7(3) . . . . ? C1 Os1 Ru2 Ru1 -59.5(15) . . . . ? C3 Os1 Ru2 Ru1 154.4(2) . . . . ? C4 Os1 Ru2 Ru1 -162.75(19) . . . . ? C16 Ru1 Ru2 C26 -3.0(3) . . . . ? C12 Ru1 Ru2 C26 40.7(3) . . . . ? C15 Ru1 Ru2 C26 -46.4(3) . . . . ? C13 Ru1 Ru2 C26 84.4(5) . . . . ? C14 Ru1 Ru2 C26 -88.1(5) . . . . ? Os1 Ru1 Ru2 C26 179.7(3) . . . . ? C16 Ru1 Ru2 C22 -50.3(4) . . . . ? C12 Ru1 Ru2 C22 -6.7(4) . . . . ? C15 Ru1 Ru2 C22 -93.7(4) . . . . ? C13 Ru1 Ru2 C22 37.1(6) . . . . ? C14 Ru1 Ru2 C22 -135.4(5) . . . . ? Os1 Ru1 Ru2 C22 132.4(3) . . . . ? C16 Ru1 Ru2 C25 43.9(3) . . . . ? C12 Ru1 Ru2 C25 87.6(3) . . . . ? C15 Ru1 Ru2 C25 0.5(3) . . . . ? C13 Ru1 Ru2 C25 131.3(5) . . . . ? C14 Ru1 Ru2 C25 -41.2(5) . . . . ? Os1 Ru1 Ru2 C25 -133.4(3) . . . . ? C16 Ru1 Ru2 C23 -120.2(9) . . . . ? C12 Ru1 Ru2 C23 -76.6(9) . . . . ? C15 Ru1 Ru2 C23 -163.7(9) . . . . ? C13 Ru1 Ru2 C23 -32.8(10) . . . . ? C14 Ru1 Ru2 C23 154.6(10) . . . . ? Os1 Ru1 Ru2 C23 62.5(9) . . . . ? C16 Ru1 Ru2 C24 90.2(5) . . . . ? C12 Ru1 Ru2 C24 133.9(5) . . . . ? C15 Ru1 Ru2 C24 46.8(5) . . . . ? C13 Ru1 Ru2 C24 177.6(6) . . . . ? C14 Ru1 Ru2 C24 5.1(6) . . . . ? Os1 Ru1 Ru2 C24 -87.0(4) . . . . ? C16 Ru1 Ru2 Os1 177.27(15) . . . . ? C12 Ru1 Ru2 Os1 -139.07(17) . . . . ? C15 Ru1 Ru2 Os1 133.85(17) . . . . ? C13 Ru1 Ru2 Os1 -95.3(4) . . . . ? C14 Ru1 Ru2 Os1 92.2(4) . . . . ? C2 Os1 C1 C5 116.4(5) . . . . ? C3 Os1 C1 C5 79.3(4) . . . . ? C4 Os1 C1 C5 37.7(3) . . . . ? Ru1 Os1 C1 C5 -125.5(3) . . . . ? Ru2 Os1 C1 C5 -68.6(16) . . . . ? C5 Os1 C1 C2 -116.4(5) . . . . ? C3 Os1 C1 C2 -37.1(4) . . . . ? C4 Os1 C1 C2 -78.7(4) . . . . ? Ru1 Os1 C1 C2 118.1(3) . . . . ? Ru2 Os1 C1 C2 175.0(13) . . . . ? C5 Os1 C1 C6 120.9(7) . . . . ? C2 Os1 C1 C6 -122.7(8) . . . . ? C3 Os1 C1 C6 -159.7(7) . . . . ? C4 Os1 C1 C6 158.6(7) . . . . ? Ru1 Os1 C1 C6 -4.6(7) . . . . ? Ru2 Os1 C1 C6 52.3(18) . . . . ? C5 C1 C2 C3 2.0(6) . . . . ? C6 C1 C2 C3 -173.3(5) . . . . ? Os1 C1 C2 C3 63.6(4) . . . . ? C5 C1 C2 C7 176.8(5) . . . . ? C6 C1 C2 C7 1.5(9) . . . . ? Os1 C1 C2 C7 -121.5(6) . . . . ? C5 C1 C2 Os1 -61.6(4) . . . . ? C6 C1 C2 Os1 123.0(6) . . . . ? C5 Os1 C2 C3 -79.1(4) . . . . ? C1 Os1 C2 C3 -117.0(5) . . . . ? C4 Os1 C2 C3 -36.7(3) . . . . ? Ru1 Os1 C2 C3 157.6(3) . . . . ? Ru2 Os1 C2 C3 63.9(5) . . . . ? C5 Os1 C2 C1 38.0(3) . . . . ? C3 Os1 C2 C1 117.0(5) . . . . ? C4 Os1 C2 C1 80.4(4) . . . . ? Ru1 Os1 C2 C1 -85.3(3) . . . . ? Ru2 Os1 C2 C1 -179.0(3) . . . . ? C5 Os1 C2 C7 156.5(8) . . . . ? C1 Os1 C2 C7 118.5(9) . . . . ? C3 Os1 C2 C7 -124.5(9) . . . . ? C4 Os1 C2 C7 -161.1(8) . . . . ? Ru1 Os1 C2 C7 33.2(8) . . . . ? Ru2 Os1 C2 C7 -60.5(9) . . . . ? C1 C2 C3 C4 -0.5(6) . . . . ? C7 C2 C3 C4 -175.1(6) . . . . ? Os1 C2 C3 C4 62.2(4) . . . . ? C1 C2 C3 C8 176.5(5) . . . . ? C7 C2 C3 C8 1.9(10) . . . . ? Os1 C2 C3 C8 -120.8(6) . . . . ? C1 C2 C3 Os1 -62.7(3) . . . . ? C7 C2 C3 Os1 122.8(6) . . . . ? C5 Os1 C3 C2 81.1(4) . . . . ? C1 Os1 C3 C2 38.3(3) . . . . ? C4 Os1 C3 C2 118.3(5) . . . . ? Ru1 Os1 C3 C2 -53.3(6) . . . . ? Ru2 Os1 C3 C2 -145.4(3) . . . . ? C5 Os1 C3 C4 -37.1(4) . . . . ? C2 Os1 C3 C4 -118.3(5) . . . . ? C1 Os1 C3 C4 -79.9(4) . . . . ? Ru1 Os1 C3 C4 -171.6(3) . . . . ? Ru2 Os1 C3 C4 96.3(3) . . . . ? C5 Os1 C3 C8 -158.6(8) . . . . ? C2 Os1 C3 C8 120.3(9) . . . . ? C1 Os1 C3 C8 158.6(8) . . . . ? C4 Os1 C3 C8 -121.5(9) . . . . ? Ru1 Os1 C3 C8 67.0(10) . . . . ? Ru2 Os1 C3 C8 -25.1(8) . . . . ? C2 C3 C4 C5 -1.2(6) . . . . ? C8 C3 C4 C5 -178.2(6) . . . . ? Os1 C3 C4 C5 59.9(4) . . . . ? C2 C3 C4 C9 175.7(6) . . . . ? C8 C3 C4 C9 -1.3(10) . . . . ? Os1 C3 C4 C9 -123.2(7) . . . . ? C2 C3 C4 Os1 -61.1(4) . . . . ? C8 C3 C4 Os1 121.9(6) . . . . ? C5 Os1 C4 C3 118.3(5) . . . . ? C2 Os1 C4 C3 36.9(4) . . . . ? C1 Os1 C4 C3 80.3(4) . . . . ? Ru1 Os1 C4 C3 167.7(5) . . . . ? Ru2 Os1 C4 C3 -106.3(4) . . . . ? C2 Os1 C4 C5 -81.4(4) . . . . ? C1 Os1 C4 C5 -38.1(3) . . . . ? C3 Os1 C4 C5 -118.3(5) . . . . ? Ru1 Os1 C4 C5 49.4(8) . . . . ? Ru2 Os1 C4 C5 135.4(3) . . . . ? C5 Os1 C4 C9 -117.7(8) . . . . ? C2 Os1 C4 C9 160.9(7) . . . . ? C1 Os1 C4 C9 -155.8(7) . . . . ? C3 Os1 C4 C9 124.0(8) . . . . ? Ru1 Os1 C4 C9 -68.3(10) . . . . ? Ru2 Os1 C4 C9 17.7(7) . . . . ? C3 C4 C5 C1 2.5(6) . . . . ? C9 C4 C5 C1 -174.6(6) . . . . ? Os1 C4 C5 C1 63.5(4) . . . . ? C3 C4 C5 C10 173.1(5) . . . . ? C9 C4 C5 C10 -4.0(9) . . . . ? Os1 C4 C5 C10 -125.9(6) . . . . ? C3 C4 C5 Os1 -61.1(4) . . . . ? C9 C4 C5 Os1 121.9(6) . . . . ? C2 C1 C5 C4 -2.7(6) . . . . ? C6 C1 C5 C4 172.7(5) . . . . ? Os1 C1 C5 C4 -64.4(4) . . . . ? C2 C1 C5 C10 -173.4(5) . . . . ? C6 C1 C5 C10 2.1(9) . . . . ? Os1 C1 C5 C10 124.9(6) . . . . ? C2 C1 C5 Os1 61.7(3) . . . . ? C6 C1 C5 Os1 -122.9(6) . . . . ? C2 Os1 C5 C4 78.3(4) . . . . ? C1 Os1 C5 C4 116.7(5) . . . . ? C3 Os1 C5 C4 36.5(4) . . . . ? Ru1 Os1 C5 C4 -164.7(3) . . . . ? Ru2 Os1 C5 C4 -71.9(4) . . . . ? C2 Os1 C5 C1 -38.4(3) . . . . ? C3 Os1 C5 C1 -80.2(4) . . . . ? C4 Os1 C5 C1 -116.7(5) . . . . ? Ru1 Os1 C5 C1 78.6(3) . . . . ? Ru2 Os1 C5 C1 171.4(2) . . . . ? C2 Os1 C5 C10 -159.5(6) . . . . ? C1 Os1 C5 C10 -121.1(7) . . . . ? C3 Os1 C5 C10 158.7(7) . . . . ? C4 Os1 C5 C10 122.2(7) . . . . ? Ru1 Os1 C5 C10 -42.5(6) . . . . ? Ru2 Os1 C5 C10 50.3(7) . . . . ? C4 C5 C10 C11 -88.1(9) . . . . ? C1 C5 C10 C11 81.0(9) . . . . ? Os1 C5 C10 C11 175.3(7) . . . . ? C15 Ru1 C12 C16 37.91(7) . . . . ? C13 Ru1 C12 C16 116.59(10) . . . . ? C14 Ru1 C12 C16 79.74(11) . . . . ? Os1 Ru1 C12 C16 -178.1(2) . . . . ? Ru2 Ru1 C12 C16 -82.68(15) . . . . ? C16 Ru1 C12 C13 -116.59(10) . . . . ? C15 Ru1 C12 C13 -78.68(11) . . . . ? C14 Ru1 C12 C13 -36.86(7) . . . . ? Os1 Ru1 C12 C13 65.3(2) . . . . ? Ru2 Ru1 C12 C13 160.72(16) . . . . ? C16 Ru1 C12 C17 121.06(10) . . . . ? C15 Ru1 C12 C17 159.0 . . . . ? C13 Ru1 C12 C17 -122.34(10) . . . . ? C14 Ru1 C12 C17 -159.2 . . . . ? Os1 Ru1 C12 C17 -57.1(2) . . . . ? Ru2 Ru1 C12 C17 38.38(16) . . . . ? C16 C12 C13 C14 0.0 . . . . ? C17 C12 C13 C14 180.0 . . . . ? Ru1 C12 C13 C14 62.57(19) . . . . ? C16 C12 C13 C18 180.0 . . . . ? C17 C12 C13 C18 0.0 . . . . ? Ru1 C12 C13 C18 -117.43(19) . . . . ? C16 C12 C13 Ru1 -62.57(19) . . . . ? C17 C12 C13 Ru1 117.43(19) . . . . ? C16 Ru1 C13 C12 38.26(8) . . . . ? C15 Ru1 C13 C12 80.93(11) . . . . ? C14 Ru1 C13 C12 117.72(10) . . . . ? Os1 Ru1 C13 C12 -143.26(15) . . . . ? Ru2 Ru1 C13 C12 -58.0(4) . . . . ? C16 Ru1 C13 C14 -79.46(12) . . . . ? C12 Ru1 C13 C14 -117.72(10) . . . . ? C15 Ru1 C13 C14 -36.79(7) . . . . ? Os1 Ru1 C13 C14 99.02(14) . . . . ? Ru2 Ru1 C13 C14 -175.7(4) . . . . ? C16 Ru1 C13 C18 158.5 . . . . ? C12 Ru1 C13 C18 120.24(10) . . . . ? C15 Ru1 C13 C18 -158.8 . . . . ? C14 Ru1 C13 C18 -122.04(10) . . . . ? Os1 Ru1 C13 C18 -23.02(15) . . . . ? Ru2 Ru1 C13 C18 62.2(4) . . . . ? C12 C13 C14 C15 0.0 . . . . ? C18 C13 C14 C15 180.0 . . . . ? Ru1 C13 C14 C15 60.57(18) . . . . ? C12 C13 C14 C19 180.0 . . . . ? C18 C13 C14 C19 0.0 . . . . ? Ru1 C13 C14 C19 -119.43(18) . . . . ? C12 C13 C14 Ru1 -60.57(18) . . . . ? C18 C13 C14 Ru1 119.43(18) . . . . ? C16 Ru1 C14 C15 -37.69(8) . . . . ? C12 Ru1 C14 C15 -80.84(12) . . . . ? C13 Ru1 C14 C15 -118.31(10) . . . . ? Os1 Ru1 C14 C15 138.59(14) . . . . ? Ru2 Ru1 C14 C15 58.1(3) . . . . ? C16 Ru1 C14 C13 80.62(12) . . . . ? C12 Ru1 C14 C13 37.48(8) . . . . ? C15 Ru1 C14 C13 118.31(10) . . . . ? Os1 Ru1 C14 C13 -103.10(14) . . . . ? Ru2 Ru1 C14 C13 176.4(4) . . . . ? C16 Ru1 C14 C19 -158.4 . . . . ? C12 Ru1 C14 C19 158.4 . . . . ? C15 Ru1 C14 C19 -120.72(10) . . . . ? C13 Ru1 C14 C19 120.97(11) . . . . ? Os1 Ru1 C14 C19 17.87(15) . . . . ? Ru2 Ru1 C14 C19 -62.6(4) . . . . ? C13 C14 C15 C16 0.0 . . . . ? C19 C14 C15 C16 180.0 . . . . ? Ru1 C14 C15 C16 60.85(19) . . . . ? C13 C14 C15 C20 180.0 . . . . ? C19 C14 C15 C20 0.0 . . . . ? Ru1 C14 C15 C20 -119.14(19) . . . . ? C13 C14 C15 Ru1 -60.86(19) . . . . ? C19 C14 C15 Ru1 119.14(19) . . . . ? C12 Ru1 C15 C16 -38.29(7) . . . . ? C13 Ru1 C15 C16 -80.77(12) . . . . ? C14 Ru1 C15 C16 -117.48(10) . . . . ? Os1 Ru1 C15 C16 174.2(2) . . . . ? Ru2 Ru1 C15 C16 84.83(15) . . . . ? C16 Ru1 C15 C14 117.48(10) . . . . ? C12 Ru1 C15 C14 79.19(11) . . . . ? C13 Ru1 C15 C14 36.71(7) . . . . ? Os1 Ru1 C15 C14 -68.33(18) . . . . ? Ru2 Ru1 C15 C14 -157.69(15) . . . . ? C16 Ru1 C15 C20 -120.30(10) . . . . ? C12 Ru1 C15 C20 -158.6 . . . . ? C13 Ru1 C15 C20 158.9 . . . . ? C14 Ru1 C15 C20 122.22(10) . . . . ? Os1 Ru1 C15 C20 53.9(2) . . . . ? Ru2 Ru1 C15 C20 -35.47(16) . . . . ? C14 C15 C16 C12 0.0 . . . . ? C20 C15 C16 C12 180.0 . . . . ? Ru1 C15 C16 C12 63.05(19) . . . . ? C14 C15 C16 C21 180.0 . . . . ? C20 C15 C16 C21 0.0 . . . . ? Ru1 C15 C16 C21 -116.95(19) . . . . ? C14 C15 C16 Ru1 -63.05(19) . . . . ? C20 C15 C16 Ru1 116.94(19) . . . . ? C13 C12 C16 C15 0.0 . . . . ? C17 C12 C16 C15 180.0 . . . . ? Ru1 C12 C16 C15 -64.15(19) . . . . ? C13 C12 C16 C21 180.0 . . . . ? C17 C12 C16 C21 0.0 . . . . ? Ru1 C12 C16 C21 115.85(19) . . . . ? C13 C12 C16 Ru1 64.15(19) . . . . ? C17 C12 C16 Ru1 -115.85(19) . . . . ? C12 Ru1 C16 C15 116.45(10) . . . . ? C13 Ru1 C16 C15 78.73(11) . . . . ? C14 Ru1 C16 C15 37.00(7) . . . . ? Os1 Ru1 C16 C15 -80(2) . . . . ? Ru2 Ru1 C16 C15 -120.32(13) . . . . ? C15 Ru1 C16 C12 -116.45(10) . . . . ? C13 Ru1 C16 C12 -37.73(7) . . . . ? C14 Ru1 C16 C12 -79.46(11) . . . . ? Os1 Ru1 C16 C12 163(2) . . . . ? Ru2 Ru1 C16 C12 123.23(13) . . . . ? C12 Ru1 C16 C21 -121.33(10) . . . . ? C15 Ru1 C16 C21 122.22(10) . . . . ? C13 Ru1 C16 C21 -159.1 . . . . ? C14 Ru1 C16 C21 159.2 . . . . ? Os1 Ru1 C16 C21 42(2) . . . . ? Ru2 Ru1 C16 C21 1.90(13) . . . . ? C16A C12A C13A C14A 0.0 . . . . ? C17A C12A C13A C14A 180.0 . . . . ? C16A C12A C13A C18A 180.0 . . . . ? C17A C12A C13A C18A 0.0 . . . . ? C12A C13A C14A C15A 0.0 . . . . ? C18A C13A C14A C15A 180.0 . . . . ? C12A C13A C14A C19A 180.0 . . . . ? C18A C13A C14A C19A 0.0 . . . . ? C13A C14A C15A C16A 0.0 . . . . ? C19A C14A C15A C16A -180.0 . . . . ? C13A C14A C15A C20A 180.0 . . . . ? C19A C14A C15A C20A 0.0 . . . . ? C14A C15A C16A C12A 0.0 . . . . ? C20A C15A C16A C12A 180.0 . . . . ? C14A C15A C16A C21A -180.0 . . . . ? C20A C15A C16A C21A 0.0 . . . . ? C13A C12A C16A C15A 0.0 . . . . ? C17A C12A C16A C15A 180.0 . . . . ? C13A C12A C16A C21A 180.0 . . . . ? C17A C12A C16A C21A 0.0 . . . . ? C25 Ru2 C22 C26 -38.57(10) . . . . ? C23 Ru2 C22 C26 -116.02(14) . . . . ? C24 Ru2 C22 C26 -79.95(16) . . . . ? Os1 Ru2 C22 C26 -178.1(4) . . . . ? Ru1 Ru2 C22 C26 81.6(3) . . . . ? C26 Ru2 C22 C23 116.02(14) . . . . ? C25 Ru2 C22 C23 77.45(16) . . . . ? C24 Ru2 C22 C23 36.07(10) . . . . ? Os1 Ru2 C22 C23 -62.0(3) . . . . ? Ru1 Ru2 C22 C23 -162.4(3) . . . . ? C26 Ru2 C22 C27 -120.48(14) . . . . ? C25 Ru2 C22 C27 -159.05(6) . . . . ? C23 Ru2 C22 C27 123.50(14) . . . . ? C24 Ru2 C22 C27 159.57(6) . . . . ? Os1 Ru2 C22 C27 61.5(4) . . . . ? Ru1 Ru2 C22 C27 -38.9(3) . . . . ? C26 C22 C23 C24 0.0 . . . . ? C27 C22 C23 C24 180.0 . . . . ? Ru2 C22 C23 C24 -62.2(3) . . . . ? C26 C22 C23 C28 180.0 . . . . ? C27 C22 C23 C28 0.0 . . . . ? Ru2 C22 C23 C28 117.8(3) . . . . ? C26 C22 C23 Ru2 62.2(3) . . . . ? C27 C22 C23 Ru2 -117.8(3) . . . . ? C26 Ru2 C23 C24 79.36(18) . . . . ? C22 Ru2 C23 C24 118.51(16) . . . . ? C25 Ru2 C23 C24 36.11(11) . . . . ? Os1 Ru2 C23 C24 -100.5(2) . . . . ? Ru1 Ru2 C23 C24 -157.8(9) . . . . ? C26 Ru2 C23 C22 -39.15(12) . . . . ? C25 Ru2 C23 C22 -82.40(19) . . . . ? C24 Ru2 C23 C22 -118.51(16) . . . . ? Os1 Ru2 C23 C22 141.0(3) . . . . ? Ru1 Ru2 C23 C22 83.7(9) . . . . ? C26 Ru2 C23 C28 -158.04(7) . . . . ? C22 Ru2 C23 C28 -118.89(17) . . . . ? C25 Ru2 C23 C28 158.71(7) . . . . ? C24 Ru2 C23 C28 122.60(16) . . . . ? Os1 Ru2 C23 C28 22.1(3) . . . . ? Ru1 Ru2 C23 C28 -35.2(9) . . . . ? C22 C23 C24 C25 0.0 . . . . ? C28 C23 C24 C25 180.0 . . . . ? Ru2 C23 C24 C25 -58.3(3) . . . . ? C22 C23 C24 C29 180.0 . . . . ? C28 C23 C24 C29 0.0 . . . . ? Ru2 C23 C24 C29 121.7(3) . . . . ? C22 C23 C24 Ru2 58.3(3) . . . . ? C28 C23 C24 Ru2 -121.7(3) . . . . ? C26 Ru2 C24 C25 38.22(12) . . . . ? C22 Ru2 C24 C25 82.31(19) . . . . ? C23 Ru2 C24 C25 119.52(17) . . . . ? Os1 Ru2 C24 C25 -143.0(2) . . . . ? Ru1 Ru2 C24 C25 -70.1(4) . . . . ? C26 Ru2 C24 C23 -81.30(19) . . . . ? C22 Ru2 C24 C23 -37.21(11) . . . . ? C25 Ru2 C24 C23 -119.52(17) . . . . ? Os1 Ru2 C24 C23 97.5(2) . . . . ? Ru1 Ru2 C24 C23 170.4(4) . . . . ? C26 Ru2 C24 C29 157.84(7) . . . . ? C22 Ru2 C24 C29 -158.07(7) . . . . ? C25 Ru2 C24 C29 119.61(16) . . . . ? C23 Ru2 C24 C29 -120.86(16) . . . . ? Os1 Ru2 C24 C29 -23.4(3) . . . . ? Ru1 Ru2 C24 C29 49.5(4) . . . . ? C23 C24 C25 C26 0.0 . . . . ? C29 C24 C25 C26 180.0 . . . . ? Ru2 C24 C25 C26 -59.5(3) . . . . ? C23 C24 C25 C30 180.0 . . . . ? C29 C24 C25 C30 0.0 . . . . ? Ru2 C24 C25 C30 120.5(3) . . . . ? C23 C24 C25 Ru2 59.5(3) . . . . ? C29 C24 C25 Ru2 -120.5(3) . . . . ? C22 Ru2 C25 C26 39.23(12) . . . . ? C23 Ru2 C25 C26 81.58(18) . . . . ? C24 Ru2 C25 C26 117.36(15) . . . . ? Os1 Ru2 C25 C26 177.1(4) . . . . ? Ru1 Ru2 C25 C26 -94.9(2) . . . . ? C26 Ru2 C25 C24 -117.36(15) . . . . ? C22 Ru2 C25 C24 -78.13(16) . . . . ? C23 Ru2 C25 C24 -35.78(11) . . . . ? Os1 Ru2 C25 C24 59.8(3) . . . . ? Ru1 Ru2 C25 C24 147.7(2) . . . . ? C26 Ru2 C25 C30 119.22(16) . . . . ? C22 Ru2 C25 C30 158.45(6) . . . . ? C23 Ru2 C25 C30 -159.20(6) . . . . ? C24 Ru2 C25 C30 -123.42(14) . . . . ? Os1 Ru2 C25 C30 -63.6(3) . . . . ? Ru1 Ru2 C25 C30 24.3(2) . . . . ? C24 C25 C26 C22 0.0 . . . . ? C30 C25 C26 C22 180.0 . . . . ? Ru2 C25 C26 C22 -64.3(3) . . . . ? C24 C25 C26 C31 -180.0 . . . . ? C30 C25 C26 C31 0.0 . . . . ? Ru2 C25 C26 C31 115.7(3) . . . . ? C24 C25 C26 Ru2 64.3(3) . . . . ? C30 C25 C26 Ru2 -115.7(3) . . . . ? C23 C22 C26 C25 0.0 . . . . ? C27 C22 C26 C25 180.0 . . . . ? Ru2 C22 C26 C25 66.1(3) . . . . ? C23 C22 C26 C31 180.0 . . . . ? C27 C22 C26 C31 0.0 . . . . ? Ru2 C22 C26 C31 -113.9(3) . . . . ? C23 C22 C26 Ru2 -66.1(3) . . . . ? C27 C22 C26 Ru2 113.9(3) . . . . ? C22 Ru2 C26 C25 -115.46(13) . . . . ? C23 Ru2 C26 C25 -77.69(15) . . . . ? C24 Ru2 C26 C25 -36.70(10) . . . . ? Os1 Ru2 C26 C25 -73(8) . . . . ? Ru1 Ru2 C26 C25 113.55(18) . . . . ? C25 Ru2 C26 C22 115.46(13) . . . . ? C23 Ru2 C26 C22 37.77(10) . . . . ? C24 Ru2 C26 C22 78.77(15) . . . . ? Os1 Ru2 C26 C22 42(8) . . . . ? Ru1 Ru2 C26 C22 -130.99(19) . . . . ? C22 Ru2 C26 C31 121.61(13) . . . . ? C25 Ru2 C26 C31 -122.93(13) . . . . ? C23 Ru2 C26 C31 159.38(5) . . . . ? C24 Ru2 C26 C31 -159.62(5) . . . . ? Os1 Ru2 C26 C31 164(8) . . . . ? Ru1 Ru2 C26 C31 -9.38(19) . . . . ? C26A C22A C23A C24A 0.0 . . . . ? C27A C22A C23A C24A 180.0 . . . . ? C26A C22A C23A C28A 180.0 . . . . ? C27A C22A C23A C28A 0.0 . . . . ? C22A C23A C24A C25A 0.0 . . . . ? C28A C23A C24A C25A 180.0 . . . . ? C22A C23A C24A C29A 180.0 . . . . ? C28A C23A C24A C29A 0.0 . . . . ? C23A C24A C25A C26A 0.0 . . . . ? C29A C24A C25A C26A 180.0 . . . . ? C23A C24A C25A C30A 180.0 . . . . ? C29A C24A C25A C30A 0.0 . . . . ? C24A C25A C26A C22A 0.0 . . . . ? C30A C25A C26A C22A 180.0 . . . . ? C24A C25A C26A C31A 180.0 . . . . ? C30A C25A C26A C31A 0.0 . . . . ? C23A C22A C26A C25A 0.0 . . . . ? C27A C22A C26A C25A 180.0 . . . . ? C23A C22A C26A C31A 180.0 . . . . ? C27A C22A C26A C31A 0.0 . . . . ? _diffrn_measured_fraction_theta_max 0.990 _diffrn_reflns_theta_full 27.48 _diffrn_measured_fraction_theta_full 0.990 _refine_diff_density_max 1.469 _refine_diff_density_min -1.587 _refine_diff_density_rms 0.148 #===END of 3' data_4' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C31 H52 Os2 Ru' _chemical_formula_weight 906.20 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' 'Os' 'Os' -1.2165 7.6030 '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 C2/c 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 11.1413(4) _cell_length_b 19.1872(6) _cell_length_c 29.0758(9) _cell_angle_alpha 90.00 _cell_angle_beta 92.5350(10) _cell_angle_gamma 90.00 _cell_volume 6209.5(3) _cell_formula_units_Z 8 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 47820 _cell_measurement_theta_min 3.04 _cell_measurement_theta_max 27.48 _exptl_crystal_description platelet _exptl_crystal_colour brown _exptl_crystal_size_max 0.070 _exptl_crystal_size_mid 0.050 _exptl_crystal_size_min 0.020 _exptl_crystal_density_meas 'not measured' _exptl_crystal_density_diffrn 1.939 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3472 _exptl_absorpt_coefficient_mu 8.661 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.6605 _exptl_absorpt_correction_T_max 1.0000 _exptl_absorpt_process_details 'ABSCOR (T.Higashi, 2001)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'Rigaku Rotating Anode ultraX18' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Rigaku R-AXIS RAPID Imaging Plate' _diffrn_measurement_method 'oscillation photograph' _diffrn_detector_area_resol_mean 100 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 47820 _diffrn_reflns_av_R_equivalents 0.0542 _diffrn_reflns_av_sigmaI/netI 0.0326 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -24 _diffrn_reflns_limit_k_max 24 _diffrn_reflns_limit_l_min -37 _diffrn_reflns_limit_l_max 37 _diffrn_reflns_theta_min 3.04 _diffrn_reflns_theta_max 27.48 _reflns_number_total 7326 _reflns_number_gt 5994 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'PROCESS-AUTO (T.Higashi, 1998)' _computing_cell_refinement 'PROCESS-AUTO (T.Higashi, 1998)' _computing_data_reduction 'PROCESS-AUTO (T.Higashi, 1998)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'ORTEX (P.McArdle, 1995)' _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^)+(0.0571P)^2^+94.4548P] 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 ref _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 7091 _refine_ls_number_parameters 230 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0596 _refine_ls_R_factor_gt 0.0503 _refine_ls_wR_factor_ref 0.1313 _refine_ls_wR_factor_gt 0.1262 _refine_ls_goodness_of_fit_ref 1.077 _refine_ls_restrained_S_all 1.077 _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 Ru1 Ru 0.79194(4) 0.89807(2) 0.623934(17) 0.04420(13) Uani 0.48 1 d P A 1 Os1 Os 0.75402(3) 0.756834(19) 0.619026(14) 0.04539(12) Uani 0.48 1 d P A 1 Os2 Os 0.98308(3) 0.80685(2) 0.628039(14) 0.04075(12) Uani 0.48 1 d P A 1 Os1A Os 0.79194(4) 0.89807(2) 0.623934(17) 0.04420(13) Uani 0.33 1 d P A 2 Os2A Os 0.75402(3) 0.756834(19) 0.619026(14) 0.04539(12) Uani 0.33 1 d P A 2 Ru1A Ru 0.98308(3) 0.80685(2) 0.628039(14) 0.04075(12) Uani 0.33 1 d P A 2 Os2B Os 0.79194(4) 0.89807(2) 0.623934(17) 0.04420(13) Uani 0.19 1 d P A 3 Ru1B Ru 0.75402(3) 0.756834(19) 0.619026(14) 0.04539(12) Uani 0.19 1 d P A 3 Os1B Os 0.98308(3) 0.80685(2) 0.628039(14) 0.04075(12) Uani 0.19 1 d P A 3 C1 C 0.6939(9) 0.9742(6) 0.6655(3) 0.060(4) Uiso 0.618(15) 1 d PG A 1 C2 C 0.8103(8) 1.0032(5) 0.6576(3) 0.057(4) Uiso 0.618(15) 1 d PG A 1 C3 C 0.8210(7) 1.0106(5) 0.6087(3) 0.041(3) Uiso 0.618(15) 1 d PG A 1 C4 C 0.7111(8) 0.9861(5) 0.5863(3) 0.054(4) Uiso 0.618(15) 1 d PG A 1 C5 C 0.6325(9) 0.9636(6) 0.6214(3) 0.063(5) Uiso 0.618(15) 1 d PG A 1 C6 C 0.6440(14) 0.9576(9) 0.7124(5) 0.168(16) Uiso 0.618(15) 1 d PG A 1 C7 C 0.9060(13) 1.0229(9) 0.6948(5) 0.110(9) Uiso 0.618(15) 1 d PG A 1 C8 C 0.9301(12) 1.0393(8) 0.5847(5) 0.094(7) Uiso 0.618(15) 1 d PG A 1 C9 C 0.6829(14) 0.9842(9) 0.5343(5) 0.126(10) Uiso 0.618(15) 1 d PG A 1 C10 C 0.5060(14) 0.9337(10) 0.6133(6) 0.21(2) Uiso 0.618(15) 1 d PG A 1 C1A C 0.7546(12) 0.9954(8) 0.5851(4) 0.056(6) Uiso 0.382(15) 1 d PG A 2 C2A C 0.6416(12) 0.9661(8) 0.5971(5) 0.049(6) Uiso 0.382(15) 1 d PG A 2 C3A C 0.6404(12) 0.9624(7) 0.6465(4) 0.036(5) Uiso 0.382(15) 1 d PG A 2 C4A C 0.7528(12) 0.9895(7) 0.6650(4) 0.055(6) Uiso 0.382(15) 1 d PG A 2 C5A C 0.8234(11) 1.0099(7) 0.6270(5) 0.032(4) Uiso 0.382(15) 1 d PG A 2 C6A C 0.795(2) 1.0089(14) 0.5363(7) 0.127(17) Uiso 0.382(15) 1 d PG A 2 C7A C 0.540(2) 0.9429(14) 0.5634(7) 0.130(18) Uiso 0.382(15) 1 d PG A 2 C8A C 0.5378(19) 0.9346(13) 0.6744(7) 0.113(15) Uiso 0.382(15) 1 d PG A 2 C9A C 0.791(2) 0.9955(13) 0.7160(7) 0.109(14) Uiso 0.382(15) 1 d PG A 2 C10A C 0.9494(19) 1.0414(13) 0.6306(8) 0.16(2) Uiso 0.382(15) 1 d PG A 2 C11 C 0.6525(5) 0.6829(3) 0.5720(2) 0.069(3) Uani 1 1 d G . . C12 C 0.7302(5) 0.6443(3) 0.6024(2) 0.057(2) Uani 1 1 d G A . C13 C 0.6953(7) 0.6567(3) 0.6480(2) 0.089(5) Uani 1 1 d G A . C14 C 0.5959(6) 0.7031(4) 0.6458(3) 0.115(7) Uani 1 1 d G A . C15 C 0.5695(5) 0.7192(3) 0.5988(3) 0.090(5) Uani 1 1 d G A . C16 C 0.6573(9) 0.6850(5) 0.5203(3) 0.101(5) Uani 1 1 d G A . H16A H 0.7403 0.6782 0.5114 0.152 Uiso 1 1 calc R . . H16B H 0.6280 0.7303 0.5089 0.152 Uiso 1 1 calc R . . H16C H 0.6066 0.6479 0.5068 0.152 Uiso 1 1 calc R . . C17 C 0.8322(8) 0.5980(4) 0.5886(4) 0.142(8) Uani 1 1 d G A . H17A H 0.8805 0.5844 0.6162 0.213 Uiso 1 1 calc R . . H17B H 0.8827 0.6234 0.5676 0.213 Uiso 1 1 calc R . . H17C H 0.7995 0.5563 0.5733 0.213 Uiso 1 1 calc R . . C18 C 0.7535(11) 0.6260(5) 0.6913(3) 0.194(14) Uani 1 1 d G A . H18A H 0.8156 0.5927 0.6830 0.291 Uiso 1 1 calc R . . H18B H 0.6926 0.6021 0.7088 0.291 Uiso 1 1 calc R . . H18C H 0.7901 0.6634 0.7101 0.291 Uiso 1 1 calc R . . C19 C 0.5300(10) 0.7303(6) 0.6863(4) 0.33(3) Uani 1 1 d G A . H19A H 0.5862 0.7350 0.7130 0.494 Uiso 1 1 calc R . . H19B H 0.4658 0.6977 0.6936 0.494 Uiso 1 1 calc R . . H19C H 0.4950 0.7759 0.6786 0.494 Uiso 1 1 calc R . . C20 C 0.4705(8) 0.7668(5) 0.5806(5) 0.236(19) Uani 1 1 d G A . H20A H 0.4425 0.7511 0.5499 0.354 Uiso 1 1 calc R . . H20B H 0.5011 0.8145 0.5788 0.354 Uiso 1 1 calc R . . H20C H 0.4036 0.7655 0.6014 0.354 Uiso 1 1 calc R . . C21 C 1.1408(8) 0.7997(5) 0.6725(4) 0.053(2) Uani 1 1 d . . . C22 C 1.1291(9) 0.7339(5) 0.6486(4) 0.062(3) Uani 1 1 d . A . C23 C 1.1365(8) 0.7489(7) 0.6005(4) 0.068(3) Uani 1 1 d . . . C24 C 1.1561(7) 0.8218(6) 0.5967(4) 0.059(3) Uani 1 1 d . A . C25 C 1.1630(8) 0.8533(6) 0.6411(4) 0.061(3) Uani 1 1 d . A . C26 C 1.1524(11) 0.8063(7) 0.7248(4) 0.074(3) Uani 1 1 d . A . H26A H 1.1093 0.7679 0.7390 0.111 Uiso 1 1 calc R . . H26B H 1.1179 0.8508 0.7342 0.111 Uiso 1 1 calc R . . H26C H 1.2374 0.8045 0.7349 0.111 Uiso 1 1 calc R . . C27 C 1.1223(13) 0.6642(7) 0.6702(7) 0.105(5) Uani 1 1 d . . . H27A H 1.0641 0.6353 0.6526 0.157 Uiso 1 1 calc R A . H27B H 1.0968 0.6691 0.7019 0.157 Uiso 1 1 calc R . . H27C H 1.2016 0.6420 0.6705 0.157 Uiso 1 1 calc R . . C28 C 1.1360(12) 0.6947(10) 0.5638(6) 0.115(7) Uani 1 1 d . A . H28A H 1.2147 0.6719 0.5640 0.172 Uiso 1 1 calc R . . H28B H 1.1189 0.7166 0.5338 0.172 Uiso 1 1 calc R . . H28C H 1.0739 0.6600 0.5696 0.172 Uiso 1 1 calc R . . C29 C 1.1758(11) 0.8600(10) 0.5517(5) 0.106(6) Uani 1 1 d . . . H29A H 1.1516 0.9088 0.5547 0.159 Uiso 1 1 calc R A . H29B H 1.1276 0.8380 0.5268 0.159 Uiso 1 1 calc R . . H29C H 1.2610 0.8577 0.5448 0.159 Uiso 1 1 calc R . . C30 C 1.1890(9) 0.9271(7) 0.6525(6) 0.086(4) Uani 1 1 d . . . H30A H 1.1322 0.9572 0.6351 0.128 Uiso 1 1 calc R A . H30B H 1.2712 0.9384 0.6443 0.128 Uiso 1 1 calc R . . H30C H 1.1809 0.9346 0.6855 0.128 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ru1 0.0375(2) 0.0317(2) 0.0637(3) 0.00232(18) 0.0060(2) 0.00389(16) Os1 0.0365(2) 0.0380(2) 0.0622(2) -0.00562(16) 0.00752(16) -0.00719(14) Os2 0.03091(19) 0.0346(2) 0.0567(2) 0.00034(16) 0.00189(16) 0.00076(14) Os1A 0.0375(2) 0.0317(2) 0.0637(3) 0.00232(18) 0.0060(2) 0.00389(16) Os2A 0.0365(2) 0.0380(2) 0.0622(2) -0.00562(16) 0.00752(16) -0.00719(14) Ru1A 0.03091(19) 0.0346(2) 0.0567(2) 0.00034(16) 0.00189(16) 0.00076(14) Os2B 0.0375(2) 0.0317(2) 0.0637(3) 0.00232(18) 0.0060(2) 0.00389(16) Ru1B 0.0365(2) 0.0380(2) 0.0622(2) -0.00562(16) 0.00752(16) -0.00719(14) Os1B 0.03091(19) 0.0346(2) 0.0567(2) 0.00034(16) 0.00189(16) 0.00076(14) C11 0.063(6) 0.051(6) 0.092(8) -0.009(5) -0.009(6) -0.012(5) C12 0.057(5) 0.040(5) 0.073(6) -0.007(4) 0.001(5) -0.007(4) C13 0.118(11) 0.081(9) 0.069(7) 0.023(6) -0.006(7) -0.061(9) C14 0.117(12) 0.065(8) 0.173(16) -0.061(10) 0.104(12) -0.060(8) C15 0.045(6) 0.068(8) 0.158(14) -0.044(9) 0.022(8) -0.012(5) C16 0.120(13) 0.095(11) 0.085(9) -0.006(8) -0.024(9) -0.010(9) C17 0.102(12) 0.045(7) 0.28(3) -0.048(11) -0.017(14) 0.018(7) C18 0.32(3) 0.147(18) 0.104(12) 0.073(13) -0.078(17) -0.16(2) C19 0.35(4) 0.27(3) 0.39(4) -0.23(3) 0.34(4) -0.23(3) C20 0.095(14) 0.115(17) 0.48(5) -0.08(2) -0.13(2) 0.022(12) C21 0.039(4) 0.053(5) 0.067(6) 0.002(4) 0.000(4) 0.005(4) C22 0.039(5) 0.050(5) 0.096(8) 0.001(5) 0.000(5) 0.009(4) C23 0.030(4) 0.091(8) 0.083(7) -0.027(6) -0.007(5) 0.020(5) C24 0.023(4) 0.083(7) 0.072(6) 0.001(5) 0.010(4) 0.003(4) C25 0.026(4) 0.066(6) 0.092(8) 0.007(6) 0.001(4) 0.000(4) C26 0.063(7) 0.091(9) 0.069(7) -0.007(6) 0.004(6) -0.004(6) C27 0.081(9) 0.049(7) 0.182(17) 0.019(9) -0.024(10) 0.009(6) C28 0.053(7) 0.160(16) 0.130(13) -0.082(12) -0.005(8) 0.023(8) C29 0.052(7) 0.177(17) 0.092(10) 0.031(10) 0.025(7) 0.004(9) C30 0.036(5) 0.077(8) 0.143(12) 0.014(8) -0.005(6) -0.014(5) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ru1 C5 2.174(11) . ? Ru1 C4 2.184(10) . ? Ru1 C1 2.214(10) . ? Ru1 C3 2.230(9) . ? Ru1 C2 2.248(9) . ? Ru1 Os1 2.7453(6) . ? Ru1 Os2 2.7550(6) . ? Os1 C13 2.209(5) . ? Os1 C14 2.213(5) . ? Os1 C12 2.227(5) . ? Os1 C15 2.233(6) . ? Os1 C11 2.241(5) . ? Os1 Os2 2.7282(5) . ? Os2 C21 2.139(9) . ? Os2 C24 2.188(9) . ? Os2 C22 2.209(10) . ? Os2 C25 2.211(9) . ? Os2 C23 2.219(9) . ? C1 C5 1.440(6) . ? C1 C2 1.440(6) . ? C1 C6 1.531(7) . ? C2 C3 1.440(6) . ? C2 C7 1.531(7) . ? C3 C4 1.440(6) . ? C3 C8 1.531(7) . ? C4 C5 1.440(6) . ? C4 C9 1.531(7) . ? C5 C10 1.531(7) . ? C1A C2A 1.437(9) . ? C1A C5A 1.437(9) . ? C1A C6A 1.528(10) . ? C2A C3A 1.437(9) . ? C2A C7A 1.528(10) . ? C3A C4A 1.437(9) . ? C3A C8A 1.528(10) . ? C4A C5A 1.437(9) . ? C4A C9A 1.528(10) . ? C5A C10A 1.528(10) . ? C11 C15 1.419(3) . ? C11 C12 1.419(3) . ? C11 C16 1.509(3) . ? C12 C13 1.419(3) . ? C12 C17 1.509(3) . ? C13 C14 1.419(3) . ? C13 C18 1.509(3) . ? C14 C15 1.419(3) . ? C14 C19 1.509(3) . ? C15 C20 1.509(3) . ? C21 C25 1.405(15) . ? C21 C22 1.445(15) . ? C21 C26 1.527(15) . ? C22 C23 1.436(17) . ? C22 C27 1.481(17) . ? C23 C24 1.420(17) . ? C23 C28 1.489(16) . ? C24 C25 1.426(16) . ? C24 C29 1.522(17) . ? C25 C30 1.479(17) . ? 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 C5 Ru1 C4 38.6(2) . . ? C5 Ru1 C1 38.3(2) . . ? C4 Ru1 C1 64.0(3) . . ? C5 Ru1 C3 63.8(3) . . ? C4 Ru1 C3 38.05(19) . . ? C1 Ru1 C3 63.2(3) . . ? C5 Ru1 C2 63.5(3) . . ? C4 Ru1 C2 63.4(3) . . ? C1 Ru1 C2 37.63(19) . . ? C3 Ru1 C2 37.50(18) . . ? C5 Ru1 Os1 116.5(3) . . ? C4 Ru1 Os1 132.7(2) . . ? C1 Ru1 Os1 126.9(3) . . ? C3 Ru1 Os1 165.6(2) . . ? C2 Ru1 Os1 156.8(2) . . ? C5 Ru1 Os2 175.8(3) . . ? C4 Ru1 Os2 144.4(2) . . ? C1 Ru1 Os2 142.6(3) . . ? C3 Ru1 Os2 120.3(2) . . ? C2 Ru1 Os2 119.7(2) . . ? Os1 Ru1 Os2 59.471(14) . . ? C13 Os1 C14 37.44(11) . . ? C13 Os1 C12 37.32(11) . . ? C14 Os1 C12 62.30(17) . . ? C13 Os1 C15 62.26(17) . . ? C14 Os1 C15 37.23(11) . . ? C12 Os1 C15 61.99(17) . . ? C13 Os1 C11 62.13(17) . . ? C14 Os1 C11 62.07(17) . . ? C12 Os1 C11 37.04(10) . . ? C15 Os1 C11 36.99(11) . . ? C13 Os1 Os2 124.1(2) . . ? C14 Os1 Os2 152.4(2) . . ? C12 Os1 Os2 117.64(16) . . ? C15 Os1 Os2 170.2(2) . . ? C11 Os1 Os2 136.54(16) . . ? C13 Os1 Ru1 152.39(17) . . ? C14 Os1 Ru1 124.41(18) . . ? C12 Os1 Ru1 170.19(16) . . ? C15 Os1 Ru1 118.05(17) . . ? C11 Os1 Ru1 136.78(15) . . ? Os2 Os1 Ru1 60.442(14) . . ? C21 Os2 C24 62.9(4) . . ? C21 Os2 C22 38.8(4) . . ? C24 Os2 C22 62.9(4) . . ? C21 Os2 C25 37.6(4) . . ? C24 Os2 C25 37.8(4) . . ? C22 Os2 C25 63.8(4) . . ? C21 Os2 C23 64.0(4) . . ? C24 Os2 C23 37.6(4) . . ? C22 Os2 C23 37.8(4) . . ? C25 Os2 C23 63.7(4) . . ? C21 Os2 Os1 140.8(3) . . ? C24 Os2 Os1 147.5(3) . . ? C22 Os2 Os1 118.5(3) . . ? C25 Os2 Os1 174.4(3) . . ? C23 Os2 Os1 121.4(3) . . ? C21 Os2 Ru1 132.8(3) . . ? C24 Os2 Ru1 126.3(3) . . ? C22 Os2 Ru1 166.7(3) . . ? C25 Os2 Ru1 116.4(3) . . ? C23 Os2 Ru1 155.4(3) . . ? Os1 Os2 Ru1 60.087(14) . . ? C5 C1 C2 108.0 . . ? C5 C1 C6 126.0 . . ? C2 C1 C6 126.0 . . ? C5 C1 Ru1 69.4(3) . . ? C2 C1 Ru1 72.5(3) . . ? C6 C1 Ru1 123.8(3) . . ? C3 C2 C1 108.0 . . ? C3 C2 C7 126.0 . . ? C1 C2 C7 126.0 . . ? C3 C2 Ru1 70.6(3) . . ? C1 C2 Ru1 69.9(3) . . ? C7 C2 Ru1 125.1(3) . . ? C4 C3 C2 108.0 . . ? C4 C3 C8 126.0 . . ? C2 C3 C8 126.0 . . ? C4 C3 Ru1 69.3(3) . . ? C2 C3 Ru1 71.9(3) . . ? C8 C3 Ru1 124.4(3) . . ? C3 C4 C5 108.0 . . ? C3 C4 C9 126.0 . . ? C5 C4 C9 126.0 . . ? C3 C4 Ru1 72.7(3) . . ? C5 C4 Ru1 70.3(3) . . ? C9 C4 Ru1 122.6(3) . . ? C1 C5 C4 108.0 . . ? C1 C5 C10 126.0 . . ? C4 C5 C10 126.0 . . ? C1 C5 Ru1 72.4(3) . . ? C4 C5 Ru1 71.1(3) . . ? C10 C5 Ru1 122.2(3) . . ? C2A C1A C5A 108.0 . . ? C2A C1A C6A 126.0 . . ? C5A C1A C6A 126.0 . . ? C3A C2A C1A 108.0 . . ? C3A C2A C7A 126.0 . . ? C1A C2A C7A 126.0 . . ? C4A C3A C2A 108.0 . . ? C4A C3A C8A 126.0 . . ? C2A C3A C8A 126.0 . . ? C3A C4A C5A 108.0 . . ? C3A C4A C9A 126.0 . . ? C5A C4A C9A 126.0 . . ? C4A C5A C1A 108.0 . . ? C4A C5A C10A 126.0 . . ? C1A C5A C10A 126.0 . . ? C15 C11 C12 108.0 . . ? C15 C11 C16 126.0 . . ? C12 C11 C16 126.0 . . ? C15 C11 Os1 71.18(19) . . ? C12 C11 Os1 70.92(19) . . ? C16 C11 Os1 123.54(19) . . ? C11 C12 C13 108.0 . . ? C11 C12 C17 126.0 . . ? C13 C12 C17 126.0 . . ? C11 C12 Os1 72.0(2) . . ? C13 C12 Os1 70.66(19) . . ? C17 C12 Os1 122.95(19) . . ? C14 C13 C12 108.0 . . ? C14 C13 C18 126.0 . . ? C12 C13 C18 126.0 . . ? C14 C13 Os1 71.42(19) . . ? C12 C13 Os1 72.02(18) . . ? C18 C13 Os1 122.25(19) . . ? C13 C14 C15 108.0 . . ? C13 C14 C19 126.0 . . ? C15 C14 C19 126.0 . . ? C13 C14 Os1 71.13(19) . . ? C15 C14 Os1 72.2(2) . . ? C19 C14 Os1 122.40(18) . . ? C11 C15 C14 108.0 . . ? C11 C15 C20 126.0 . . ? C14 C15 C20 126.0 . . ? C11 C15 Os1 71.83(18) . . ? C14 C15 Os1 70.62(19) . . ? C20 C15 Os1 123.19(19) . . ? C25 C21 C22 110.0(10) . . ? C25 C21 C26 125.2(10) . . ? C22 C21 C26 123.7(10) . . ? C25 C21 Os2 74.0(6) . . ? C22 C21 Os2 73.2(6) . . ? C26 C21 Os2 128.9(7) . . ? C23 C22 C21 106.6(10) . . ? C23 C22 C27 127.0(12) . . ? C21 C22 C27 126.2(12) . . ? C23 C22 Os2 71.4(6) . . ? C21 C22 Os2 68.0(5) . . ? C27 C22 Os2 129.6(8) . . ? C24 C23 C22 106.8(10) . . ? C24 C23 C28 128.9(14) . . ? C22 C23 C28 124.0(14) . . ? C24 C23 Os2 70.0(5) . . ? C22 C23 Os2 70.7(6) . . ? C28 C23 Os2 129.0(7) . . ? C23 C24 C25 110.5(10) . . ? C23 C24 C29 124.7(12) . . ? C25 C24 C29 124.7(12) . . ? C23 C24 Os2 72.4(6) . . ? C25 C24 Os2 72.0(5) . . ? C29 C24 Os2 125.7(7) . . ? C21 C25 C24 105.9(10) . . ? C21 C25 C30 126.5(12) . . ? C24 C25 C30 127.6(11) . . ? C21 C25 Os2 68.4(5) . . ? C24 C25 Os2 70.2(5) . . ? C30 C25 Os2 126.3(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 C5 Ru1 Os1 C13 -71.1(5) . . . . ? C4 Ru1 Os1 C13 -114.3(5) . . . . ? C1 Ru1 Os1 C13 -27.4(6) . . . . ? C3 Ru1 Os1 C13 -158.7(9) . . . . ? C2 Ru1 Os1 C13 13.0(7) . . . . ? Os2 Ru1 Os1 C13 107.9(4) . . . . ? C5 Ru1 Os1 C14 -31.2(4) . . . . ? C4 Ru1 Os1 C14 -74.4(4) . . . . ? C1 Ru1 Os1 C14 12.5(4) . . . . ? C3 Ru1 Os1 C14 -118.8(9) . . . . ? C2 Ru1 Os1 C14 52.9(6) . . . . ? Os2 Ru1 Os1 C14 147.8(3) . . . . ? C5 Ru1 Os1 C12 99.6(9) . . . . ? C4 Ru1 Os1 C12 56.4(10) . . . . ? C1 Ru1 Os1 C12 143.3(10) . . . . ? C3 Ru1 Os1 C12 12.0(12) . . . . ? C2 Ru1 Os1 C12 -176.2(11) . . . . ? Os2 Ru1 Os1 C12 -81.4(9) . . . . ? C5 Ru1 Os1 C15 12.0(4) . . . . ? C4 Ru1 Os1 C15 -31.2(4) . . . . ? C1 Ru1 Os1 C15 55.7(4) . . . . ? C3 Ru1 Os1 C15 -75.6(9) . . . . ? C2 Ru1 Os1 C15 96.2(6) . . . . ? Os2 Ru1 Os1 C15 -169.0(2) . . . . ? C5 Ru1 Os1 C11 53.0(4) . . . . ? C4 Ru1 Os1 C11 9.8(4) . . . . ? C1 Ru1 Os1 C11 96.7(4) . . . . ? C3 Ru1 Os1 C11 -34.6(9) . . . . ? C2 Ru1 Os1 C11 137.2(6) . . . . ? Os2 Ru1 Os1 C11 -128.0(2) . . . . ? C5 Ru1 Os1 Os2 -179.0(3) . . . . ? C4 Ru1 Os1 Os2 137.8(3) . . . . ? C1 Ru1 Os1 Os2 -135.3(3) . . . . ? C3 Ru1 Os1 Os2 93.4(8) . . . . ? C2 Ru1 Os1 Os2 -94.9(6) . . . . ? C13 Os1 Os2 C21 -25.5(5) . . . . ? C14 Os1 Os2 C21 13.9(6) . . . . ? C12 Os1 Os2 C21 -68.6(5) . . . . ? C15 Os1 Os2 C21 -153.8(10) . . . . ? C11 Os1 Os2 C21 -109.4(5) . . . . ? Ru1 Os1 Os2 C21 122.4(4) . . . . ? C13 Os1 Os2 C24 100.5(6) . . . . ? C14 Os1 Os2 C24 139.8(7) . . . . ? C12 Os1 Os2 C24 57.4(6) . . . . ? C15 Os1 Os2 C24 -27.8(11) . . . . ? C11 Os1 Os2 C24 16.6(6) . . . . ? Ru1 Os1 Os2 C24 -111.7(6) . . . . ? C13 Os1 Os2 C22 17.0(4) . . . . ? C14 Os1 Os2 C22 56.3(5) . . . . ? C12 Os1 Os2 C22 -26.2(4) . . . . ? C15 Os1 Os2 C22 -111.4(10) . . . . ? C11 Os1 Os2 C22 -66.9(4) . . . . ? Ru1 Os1 Os2 C22 164.8(4) . . . . ? C13 Os1 Os2 C25 -96(3) . . . . ? C14 Os1 Os2 C25 -57(3) . . . . ? C12 Os1 Os2 C25 -139(3) . . . . ? C15 Os1 Os2 C25 136(3) . . . . ? C11 Os1 Os2 C25 180(100) . . . . ? Ru1 Os1 Os2 C25 52(3) . . . . ? C13 Os1 Os2 C23 60.8(5) . . . . ? C14 Os1 Os2 C23 100.1(6) . . . . ? C12 Os1 Os2 C23 17.7(4) . . . . ? C15 Os1 Os2 C23 -67.5(10) . . . . ? C11 Os1 Os2 C23 -23.1(5) . . . . ? Ru1 Os1 Os2 C23 -151.4(4) . . . . ? C13 Os1 Os2 Ru1 -147.8(2) . . . . ? C14 Os1 Os2 Ru1 -108.5(4) . . . . ? C12 Os1 Os2 Ru1 169.04(17) . . . . ? C15 Os1 Os2 Ru1 83.8(9) . . . . ? C11 Os1 Os2 Ru1 128.3(2) . . . . ? C5 Ru1 Os2 C21 -121(4) . . . . ? C4 Ru1 Os2 C21 104.8(6) . . . . ? C1 Ru1 Os2 C21 -21.1(6) . . . . ? C3 Ru1 Os2 C21 63.4(4) . . . . ? C2 Ru1 Os2 C21 19.9(5) . . . . ? Os1 Ru1 Os2 C21 -133.3(4) . . . . ? C5 Ru1 Os2 C24 154(4) . . . . ? C4 Ru1 Os2 C24 19.9(6) . . . . ? C1 Ru1 Os2 C24 -106.1(6) . . . . ? C3 Ru1 Os2 C24 -21.5(4) . . . . ? C2 Ru1 Os2 C24 -65.1(4) . . . . ? Os1 Ru1 Os2 C24 141.7(4) . . . . ? C5 Ru1 Os2 C22 -76(4) . . . . ? C4 Ru1 Os2 C22 150.4(13) . . . . ? C1 Ru1 Os2 C22 24.4(13) . . . . ? C3 Ru1 Os2 C22 109.0(12) . . . . ? C2 Ru1 Os2 C22 65.4(12) . . . . ? Os1 Ru1 Os2 C22 -87.8(12) . . . . ? C5 Ru1 Os2 C25 -163(4) . . . . ? C4 Ru1 Os2 C25 63.0(5) . . . . ? C1 Ru1 Os2 C25 -62.9(5) . . . . ? C3 Ru1 Os2 C25 21.6(4) . . . . ? C2 Ru1 Os2 C25 -21.9(4) . . . . ? Os1 Ru1 Os2 C25 -175.1(3) . . . . ? C5 Ru1 Os2 C23 113(4) . . . . ? C4 Ru1 Os2 C23 -21.0(9) . . . . ? C1 Ru1 Os2 C23 -146.9(9) . . . . ? C3 Ru1 Os2 C23 -62.4(8) . . . . ? C2 Ru1 Os2 C23 -106.0(8) . . . . ? Os1 Ru1 Os2 C23 100.9(8) . . . . ? C5 Ru1 Os2 Os1 12(4) . . . . ? C4 Ru1 Os2 Os1 -121.9(4) . . . . ? C1 Ru1 Os2 Os1 112.2(4) . . . . ? C3 Ru1 Os2 Os1 -163.2(2) . . . . ? C2 Ru1 Os2 Os1 153.2(3) . . . . ? C4 Ru1 C1 C5 38.26(14) . . . . ? C3 Ru1 C1 C5 80.9(2) . . . . ? C2 Ru1 C1 C5 117.73(19) . . . . ? Os1 Ru1 C1 C5 -86.9(3) . . . . ? Os2 Ru1 C1 C5 -173.4(4) . . . . ? C5 Ru1 C1 C2 -117.73(18) . . . . ? C4 Ru1 C1 C2 -79.5(2) . . . . ? C3 Ru1 C1 C2 -36.79(14) . . . . ? Os1 Ru1 C1 C2 155.3(3) . . . . ? Os2 Ru1 C1 C2 68.9(4) . . . . ? C5 Ru1 C1 C6 120.2(2) . . . . ? C4 Ru1 C1 C6 158.50(8) . . . . ? C3 Ru1 C1 C6 -158.82(8) . . . . ? C2 Ru1 C1 C6 -122.03(19) . . . . ? Os1 Ru1 C1 C6 33.3(3) . . . . ? Os2 Ru1 C1 C6 -53.1(4) . . . . ? C5 C1 C2 C3 0.0 . . . . ? C6 C1 C2 C3 180.0 . . . . ? Ru1 C1 C2 C3 60.6(3) . . . . ? C5 C1 C2 C7 180.0 . . . . ? C6 C1 C2 C7 0.0 . . . . ? Ru1 C1 C2 C7 -119.4(3) . . . . ? C5 C1 C2 Ru1 -60.6(3) . . . . ? C6 C1 C2 Ru1 119.4(3) . . . . ? C5 Ru1 C2 C3 -80.8(2) . . . . ? C4 Ru1 C2 C3 -37.45(14) . . . . ? C1 Ru1 C2 C3 -118.6(2) . . . . ? Os1 Ru1 C2 C3 -176.6(5) . . . . ? Os2 Ru1 C2 C3 102.1(3) . . . . ? C5 Ru1 C2 C1 37.78(14) . . . . ? C4 Ru1 C2 C1 81.1(2) . . . . ? C3 Ru1 C2 C1 118.6(2) . . . . ? Os1 Ru1 C2 C1 -58.1(5) . . . . ? Os2 Ru1 C2 C1 -139.3(3) . . . . ? C5 Ru1 C2 C7 158.29(8) . . . . ? C4 Ru1 C2 C7 -158.37(8) . . . . ? C1 Ru1 C2 C7 120.5(2) . . . . ? C3 Ru1 C2 C7 -120.92(19) . . . . ? Os1 Ru1 C2 C7 62.5(5) . . . . ? Os2 Ru1 C2 C7 -18.8(3) . . . . ? C1 C2 C3 C4 0.0 . . . . ? C7 C2 C3 C4 180.0 . . . . ? Ru1 C2 C3 C4 60.1(3) . . . . ? C1 C2 C3 C8 180.0 . . . . ? C7 C2 C3 C8 0.0 . . . . ? Ru1 C2 C3 C8 -119.9(3) . . . . ? C1 C2 C3 Ru1 -60.1(3) . . . . ? C7 C2 C3 Ru1 119.9(3) . . . . ? C5 Ru1 C3 C4 -38.21(15) . . . . ? C1 Ru1 C3 C4 -81.2(2) . . . . ? C2 Ru1 C3 C4 -118.11(19) . . . . ? Os1 Ru1 C3 C4 56.6(8) . . . . ? Os2 Ru1 C3 C4 141.4(3) . . . . ? C5 Ru1 C3 C2 79.9(2) . . . . ? C4 Ru1 C3 C2 118.11(19) . . . . ? C1 Ru1 C3 C2 36.92(14) . . . . ? Os1 Ru1 C3 C2 174.7(9) . . . . ? Os2 Ru1 C3 C2 -100.5(3) . . . . ? C5 Ru1 C3 C8 -158.37(8) . . . . ? C4 Ru1 C3 C8 -120.2(2) . . . . ? C1 Ru1 C3 C8 158.66(8) . . . . ? C2 Ru1 C3 C8 121.74(19) . . . . ? Os1 Ru1 C3 C8 -63.6(9) . . . . ? Os2 Ru1 C3 C8 21.3(3) . . . . ? C2 C3 C4 C5 0.0 . . . . ? C8 C3 C4 C5 180.0 . . . . ? Ru1 C3 C4 C5 61.8(3) . . . . ? C2 C3 C4 C9 180.0 . . . . ? C8 C3 C4 C9 0.0 . . . . ? Ru1 C3 C4 C9 -118.1(3) . . . . ? C2 C3 C4 Ru1 -61.9(3) . . . . ? C8 C3 C4 Ru1 118.2(3) . . . . ? C5 Ru1 C4 C3 117.07(18) . . . . ? C1 Ru1 C4 C3 79.1(2) . . . . ? C2 Ru1 C4 C3 36.91(13) . . . . ? Os1 Ru1 C4 C3 -163.6(3) . . . . ? Os2 Ru1 C4 C3 -67.7(4) . . . . ? C1 Ru1 C4 C5 -37.97(13) . . . . ? C3 Ru1 C4 C5 -117.07(19) . . . . ? C2 Ru1 C4 C5 -80.2(2) . . . . ? Os1 Ru1 C4 C5 79.4(3) . . . . ? Os2 Ru1 C4 C5 175.2(4) . . . . ? C5 Ru1 C4 C9 -120.82(18) . . . . ? C1 Ru1 C4 C9 -158.80(7) . . . . ? C3 Ru1 C4 C9 122.11(18) . . . . ? C2 Ru1 C4 C9 159.02(8) . . . . ? Os1 Ru1 C4 C9 -41.4(3) . . . . ? Os2 Ru1 C4 C9 54.4(4) . . . . ? C2 C1 C5 C4 0.0 . . . . ? C6 C1 C5 C4 180.0 . . . . ? Ru1 C1 C5 C4 -62.6(3) . . . . ? C2 C1 C5 C10 180.0 . . . . ? C6 C1 C5 C10 0.0 . . . . ? Ru1 C1 C5 C10 117.4(3) . . . . ? C2 C1 C5 Ru1 62.6(3) . . . . ? C6 C1 C5 Ru1 -117.4(3) . . . . ? C3 C4 C5 C1 0.0 . . . . ? C9 C4 C5 C1 180.0 . . . . ? Ru1 C4 C5 C1 63.4(4) . . . . ? C3 C4 C5 C10 -180.0 . . . . ? C9 C4 C5 C10 0.0 . . . . ? Ru1 C4 C5 C10 -116.6(3) . . . . ? C3 C4 C5 Ru1 -63.4(3) . . . . ? C9 C4 C5 Ru1 116.6(3) . . . . ? C4 Ru1 C5 C1 -116.85(18) . . . . ? C3 Ru1 C5 C1 -79.2(2) . . . . ? C2 Ru1 C5 C1 -37.13(13) . . . . ? Os1 Ru1 C5 C1 117.0(2) . . . . ? Os2 Ru1 C5 C1 105(3) . . . . ? C1 Ru1 C5 C4 116.85(18) . . . . ? C3 Ru1 C5 C4 37.70(13) . . . . ? C2 Ru1 C5 C4 79.7(2) . . . . ? Os1 Ru1 C5 C4 -126.2(2) . . . . ? Os2 Ru1 C5 C4 -138(3) . . . . ? C4 Ru1 C5 C10 121.23(18) . . . . ? C1 Ru1 C5 C10 -121.91(18) . . . . ? C3 Ru1 C5 C10 158.93(7) . . . . ? C2 Ru1 C5 C10 -159.05(7) . . . . ? Os1 Ru1 C5 C10 -5.0(2) . . . . ? Os2 Ru1 C5 C10 -17(4) . . . . ? C5A C1A C2A C3A 0.0 . . . . ? C6A C1A C2A C3A 180.0 . . . . ? C5A C1A C2A C7A 180.0 . . . . ? C6A C1A C2A C7A 0.0 . . . . ? C1A C2A C3A C4A 0.0 . . . . ? C7A C2A C3A C4A 180.0 . . . . ? C1A C2A C3A C8A 180.0 . . . . ? C7A C2A C3A C8A 0.0 . . . . ? C2A C3A C4A C5A 0.0 . . . . ? C8A C3A C4A C5A 180.0 . . . . ? C2A C3A C4A C9A 180.0 . . . . ? C8A C3A C4A C9A 0.0 . . . . ? C3A C4A C5A C1A 0.0 . . . . ? C9A C4A C5A C1A 180.0 . . . . ? C3A C4A C5A C10A 180.0 . . . . ? C9A C4A C5A C10A 0.0 . . . . ? C2A C1A C5A C4A 0.0 . . . . ? C6A C1A C5A C4A 180.0 . . . . ? C2A C1A C5A C10A 180.0 . . . . ? C6A C1A C5A C10A 0.0 . . . . ? C13 Os1 C11 C15 80.04(12) . . . . ? C14 Os1 C11 C15 37.44(8) . . . . ? C12 Os1 C11 C15 117.60(11) . . . . ? Os2 Os1 C11 C15 -168.6(3) . . . . ? Ru1 Os1 C11 C15 -74.3(2) . . . . ? C13 Os1 C11 C12 -37.57(8) . . . . ? C14 Os1 C11 C12 -80.16(13) . . . . ? C15 Os1 C11 C12 -117.60(11) . . . . ? Os2 Os1 C11 C12 73.8(3) . . . . ? Ru1 Os1 C11 C12 168.1(2) . . . . ? C13 Os1 C11 C16 -158.7 . . . . ? C14 Os1 C11 C16 158.7 . . . . ? C12 Os1 C11 C16 -121.12(11) . . . . ? C15 Os1 C11 C16 121.28(11) . . . . ? Os2 Os1 C11 C16 -47.3(3) . . . . ? Ru1 Os1 C11 C16 47.0(3) . . . . ? C15 C11 C12 C13 0.0 . . . . ? C16 C11 C12 C13 180.0 . . . . ? Os1 C11 C12 C13 61.88(19) . . . . ? C15 C11 C12 C17 180.0 . . . . ? C16 C11 C12 C17 0.0 . . . . ? Os1 C11 C12 C17 -118.12(19) . . . . ? C15 C11 C12 Os1 -61.88(19) . . . . ? C16 C11 C12 Os1 118.12(19) . . . . ? C13 Os1 C12 C11 117.26(11) . . . . ? C14 Os1 C12 C11 79.48(12) . . . . ? C15 Os1 C12 C11 37.15(8) . . . . ? Os2 Os1 C12 C11 -131.8(2) . . . . ? Ru1 Os1 C12 C11 -55.7(9) . . . . ? C14 Os1 C12 C13 -37.78(8) . . . . ? C15 Os1 C12 C13 -80.11(12) . . . . ? C11 Os1 C12 C13 -117.26(11) . . . . ? Os2 Os1 C12 C13 111.0(2) . . . . ? Ru1 Os1 C12 C13 -172.9(10) . . . . ? C13 Os1 C12 C17 -120.99(10) . . . . ? C14 Os1 C12 C17 -158.8 . . . . ? C15 Os1 C12 C17 158.9 . . . . ? C11 Os1 C12 C17 121.75(11) . . . . ? Os2 Os1 C12 C17 -10.0(3) . . . . ? Ru1 Os1 C12 C17 66.1(10) . . . . ? C11 C12 C13 C14 0.0 . . . . ? C17 C12 C13 C14 180.0 . . . . ? Os1 C12 C13 C14 62.8(2) . . . . ? C11 C12 C13 C18 180.0 . . . . ? C17 C12 C13 C18 0.0 . . . . ? Os1 C12 C13 C18 -117.2(2) . . . . ? C11 C12 C13 Os1 -62.8(2) . . . . ? C17 C12 C13 Os1 117.2(2) . . . . ? C12 Os1 C13 C14 -116.86(11) . . . . ? C15 Os1 C13 C14 -37.55(7) . . . . ? C11 Os1 C13 C14 -79.58(12) . . . . ? Os2 Os1 C13 C14 151.1(2) . . . . ? Ru1 Os1 C13 C14 60.6(3) . . . . ? C14 Os1 C13 C12 116.86(11) . . . . ? C15 Os1 C13 C12 79.31(11) . . . . ? C11 Os1 C13 C12 37.28(7) . . . . ? Os2 Os1 C13 C12 -92.03(18) . . . . ? Ru1 Os1 C13 C12 177.4(4) . . . . ? C14 Os1 C13 C18 -121.41(10) . . . . ? C12 Os1 C13 C18 121.73(10) . . . . ? C15 Os1 C13 C18 -159.0 . . . . ? C11 Os1 C13 C18 159.0 . . . . ? Os2 Os1 C13 C18 29.7(2) . . . . ? Ru1 Os1 C13 C18 -60.9(3) . . . . ? C12 C13 C14 C15 0.0 . . . . ? C18 C13 C14 C15 180.0 . . . . ? Os1 C13 C14 C15 63.2(2) . . . . ? C12 C13 C14 C19 180.0 . . . . ? C18 C13 C14 C19 0.0 . . . . ? Os1 C13 C14 C19 -116.85(19) . . . . ? C12 C13 C14 Os1 -63.15(19) . . . . ? C18 C13 C14 Os1 116.85(19) . . . . ? C12 Os1 C14 C13 37.65(8) . . . . ? C15 Os1 C14 C13 116.94(10) . . . . ? C11 Os1 C14 C13 79.75(11) . . . . ? Os2 Os1 C14 C13 -59.6(3) . . . . ? Ru1 Os1 C14 C13 -150.72(17) . . . . ? C13 Os1 C14 C15 -116.94(10) . . . . ? C12 Os1 C14 C15 -79.29(12) . . . . ? C11 Os1 C14 C15 -37.20(8) . . . . ? Os2 Os1 C14 C15 -176.6(3) . . . . ? Ru1 Os1 C14 C15 92.34(16) . . . . ? C13 Os1 C14 C19 121.25(10) . . . . ? C12 Os1 C14 C19 158.9 . . . . ? C15 Os1 C14 C19 -121.80(11) . . . . ? C11 Os1 C14 C19 -159.0 . . . . ? Os2 Os1 C14 C19 61.6(3) . . . . ? Ru1 Os1 C14 C19 -29.47(18) . . . . ? C12 C11 C15 C14 0.0 . . . . ? C16 C11 C15 C14 180.0 . . . . ? Os1 C11 C15 C14 -61.7(2) . . . . ? C12 C11 C15 C20 180.0 . . . . ? C16 C11 C15 C20 0.0 . . . . ? Os1 C11 C15 C20 118.3(2) . . . . ? C12 C11 C15 Os1 61.7(2) . . . . ? C16 C11 C15 Os1 -118.3(2) . . . . ? C13 C14 C15 C11 0.0 . . . . ? C19 C14 C15 C11 180.0 . . . . ? Os1 C14 C15 C11 62.49(19) . . . . ? C13 C14 C15 C20 180.0 . . . . ? C19 C14 C15 C20 0.0 . . . . ? Os1 C14 C15 C20 -117.50(19) . . . . ? C13 C14 C15 Os1 -62.50(19) . . . . ? C19 C14 C15 Os1 117.50(19) . . . . ? C13 Os1 C15 C11 -79.64(12) . . . . ? C14 Os1 C15 C11 -117.40(11) . . . . ? C12 Os1 C15 C11 -37.20(7) . . . . ? Os2 Os1 C15 C11 53.2(9) . . . . ? Ru1 Os1 C15 C11 131.68(17) . . . . ? C13 Os1 C15 C14 37.76(8) . . . . ? C12 Os1 C15 C14 80.20(12) . . . . ? C11 Os1 C15 C14 117.40(11) . . . . ? Os2 Os1 C15 C14 170.6(10) . . . . ? Ru1 Os1 C15 C14 -110.92(18) . . . . ? C13 Os1 C15 C20 158.7 . . . . ? C14 Os1 C15 C20 120.96(11) . . . . ? C12 Os1 C15 C20 -158.8 . . . . ? C11 Os1 C15 C20 -121.64(10) . . . . ? Os2 Os1 C15 C20 -68.5(10) . . . . ? Ru1 Os1 C15 C20 10.04(18) . . . . ? C24 Os2 C21 C25 37.8(6) . . . . ? C22 Os2 C21 C25 117.3(9) . . . . ? C23 Os2 C21 C25 80.0(7) . . . . ? Os1 Os2 C21 C25 -171.4(5) . . . . ? Ru1 Os2 C21 C25 -77.9(7) . . . . ? C24 Os2 C21 C22 -79.5(7) . . . . ? C25 Os2 C21 C22 -117.3(9) . . . . ? C23 Os2 C21 C22 -37.3(7) . . . . ? Os1 Os2 C21 C22 71.3(7) . . . . ? Ru1 Os2 C21 C22 164.8(5) . . . . ? C24 Os2 C21 C26 160.4(11) . . . . ? C22 Os2 C21 C26 -120.0(12) . . . . ? C25 Os2 C21 C26 122.6(13) . . . . ? C23 Os2 C21 C26 -157.4(11) . . . . ? Os1 Os2 C21 C26 -48.8(12) . . . . ? Ru1 Os2 C21 C26 44.7(11) . . . . ? C25 C21 C22 C23 -3.9(11) . . . . ? C26 C21 C22 C23 -172.6(9) . . . . ? Os2 C21 C22 C23 61.4(6) . . . . ? C25 C21 C22 C27 170.9(11) . . . . ? C26 C21 C22 C27 2.2(16) . . . . ? Os2 C21 C22 C27 -123.8(11) . . . . ? C25 C21 C22 Os2 -65.3(7) . . . . ? C26 C21 C22 Os2 126.0(10) . . . . ? C21 Os2 C22 C23 -117.4(9) . . . . ? C24 Os2 C22 C23 -37.6(7) . . . . ? C25 Os2 C22 C23 -80.2(7) . . . . ? Os1 Os2 C22 C23 105.5(6) . . . . ? Ru1 Os2 C22 C23 -174.2(10) . . . . ? C24 Os2 C22 C21 79.7(7) . . . . ? C25 Os2 C22 C21 37.2(6) . . . . ? C23 Os2 C22 C21 117.4(9) . . . . ? Os1 Os2 C22 C21 -137.1(5) . . . . ? Ru1 Os2 C22 C21 -56.8(15) . . . . ? C21 Os2 C22 C27 119.5(16) . . . . ? C24 Os2 C22 C27 -160.8(15) . . . . ? C25 Os2 C22 C27 156.7(15) . . . . ? C23 Os2 C22 C27 -123.1(16) . . . . ? Os1 Os2 C22 C27 -17.6(14) . . . . ? Ru1 Os2 C22 C27 63(2) . . . . ? C21 C22 C23 C24 1.8(10) . . . . ? C27 C22 C23 C24 -172.9(11) . . . . ? Os2 C22 C23 C24 61.1(6) . . . . ? C21 C22 C23 C28 176.1(10) . . . . ? C27 C22 C23 C28 1.4(17) . . . . ? Os2 C22 C23 C28 -124.7(10) . . . . ? C21 C22 C23 Os2 -59.2(6) . . . . ? C27 C22 C23 Os2 126.1(11) . . . . ? C21 Os2 C23 C24 -78.8(7) . . . . ? C22 Os2 C23 C24 -117.0(9) . . . . ? C25 Os2 C23 C24 -36.6(6) . . . . ? Os1 Os2 C23 C24 145.8(5) . . . . ? Ru1 Os2 C23 C24 59.8(10) . . . . ? C21 Os2 C23 C22 38.2(6) . . . . ? C24 Os2 C23 C22 117.0(9) . . . . ? C25 Os2 C23 C22 80.4(7) . . . . ? Os1 Os2 C23 C22 -97.2(6) . . . . ? Ru1 Os2 C23 C22 176.8(5) . . . . ? C21 Os2 C23 C28 156.8(17) . . . . ? C24 Os2 C23 C28 -124.4(18) . . . . ? C22 Os2 C23 C28 118.6(18) . . . . ? C25 Os2 C23 C28 -161.1(17) . . . . ? Os1 Os2 C23 C28 21.4(16) . . . . ? Ru1 Os2 C23 C28 -64.7(19) . . . . ? C22 C23 C24 C25 0.8(10) . . . . ? C28 C23 C24 C25 -173.1(10) . . . . ? Os2 C23 C24 C25 62.3(6) . . . . ? C22 C23 C24 C29 176.8(9) . . . . ? C28 C23 C24 C29 2.9(16) . . . . ? Os2 C23 C24 C29 -121.7(10) . . . . ? C22 C23 C24 Os2 -61.5(6) . . . . ? C28 C23 C24 Os2 124.6(11) . . . . ? C21 Os2 C24 C23 81.7(7) . . . . ? C22 Os2 C24 C23 37.9(6) . . . . ? C25 Os2 C24 C23 119.3(9) . . . . ? Os1 Os2 C24 C23 -63.3(9) . . . . ? Ru1 Os2 C24 C23 -153.5(5) . . . . ? C21 Os2 C24 C25 -37.6(6) . . . . ? C22 Os2 C24 C25 -81.4(7) . . . . ? C23 Os2 C24 C25 -119.3(9) . . . . ? Os1 Os2 C24 C25 177.4(5) . . . . ? Ru1 Os2 C24 C25 87.2(6) . . . . ? C21 Os2 C24 C29 -157.8(13) . . . . ? C22 Os2 C24 C29 158.4(14) . . . . ? C25 Os2 C24 C29 -120.2(15) . . . . ? C23 Os2 C24 C29 120.5(15) . . . . ? Os1 Os2 C24 C29 57.2(15) . . . . ? Ru1 Os2 C24 C29 -33.0(13) . . . . ? C22 C21 C25 C24 4.3(10) . . . . ? C26 C21 C25 C24 172.8(9) . . . . ? Os2 C21 C25 C24 -60.6(6) . . . . ? C22 C21 C25 C30 -175.2(9) . . . . ? C26 C21 C25 C30 -6.8(16) . . . . ? Os2 C21 C25 C30 119.9(10) . . . . ? C22 C21 C25 Os2 64.9(7) . . . . ? C26 C21 C25 Os2 -126.7(10) . . . . ? C23 C24 C25 C21 -3.1(10) . . . . ? C29 C24 C25 C21 -179.2(9) . . . . ? Os2 C24 C25 C21 59.4(6) . . . . ? C23 C24 C25 C30 176.4(9) . . . . ? C29 C24 C25 C30 0.4(15) . . . . ? Os2 C24 C25 C30 -121.1(10) . . . . ? C23 C24 C25 Os2 -62.5(6) . . . . ? C29 C24 C25 Os2 121.4(10) . . . . ? C24 Os2 C25 C21 -117.1(9) . . . . ? C22 Os2 C25 C21 -38.3(6) . . . . ? C23 Os2 C25 C21 -80.7(7) . . . . ? Os1 Os2 C25 C21 77(3) . . . . ? Ru1 Os2 C25 C21 126.8(5) . . . . ? C21 Os2 C25 C24 117.1(9) . . . . ? C22 Os2 C25 C24 78.8(7) . . . . ? C23 Os2 C25 C24 36.4(7) . . . . ? Os1 Os2 C25 C24 -166(3) . . . . ? Ru1 Os2 C25 C24 -116.1(6) . . . . ? C21 Os2 C25 C30 -120.1(14) . . . . ? C24 Os2 C25 C30 122.7(14) . . . . ? C22 Os2 C25 C30 -158.5(13) . . . . ? C23 Os2 C25 C30 159.1(13) . . . . ? Os1 Os2 C25 C30 -43(4) . . . . ? Ru1 Os2 C25 C30 6.7(12) . . . . ? _diffrn_measured_fraction_theta_max 0.996 _diffrn_reflns_theta_full 27.48 _diffrn_measured_fraction_theta_full 0.996 _refine_diff_density_max 1.842 _refine_diff_density_min -1.099 _refine_diff_density_rms 0.184 #===END of 4' data_7'-BPh4 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C59 H81 B O Os Ru2' _chemical_formula_weight 1209.39 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' 'B' 'B' 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Os' 'Os' -1.2165 7.6030 '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' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 10.5832(3) _cell_length_b 14.6209(4) _cell_length_c 17.4584(6) _cell_angle_alpha 86.0110(10) _cell_angle_beta 87.9720(13) _cell_angle_gamma 88.6270(10) _cell_volume 2692.58(14) _cell_formula_units_Z 2 _cell_measurement_temperature 183(2) _cell_measurement_reflns_used 26706 _cell_measurement_theta_min 3.08 _cell_measurement_theta_max 27.48 _exptl_crystal_description block _exptl_crystal_colour black _exptl_crystal_size_max 0.320 _exptl_crystal_size_mid 0.260 _exptl_crystal_size_min 0.110 _exptl_crystal_density_meas 'not measured' _exptl_crystal_density_diffrn 1.492 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1224 _exptl_absorpt_coefficient_mu 2.945 _exptl_absorpt_correction_type numerical _exptl_absorpt_correction_T_min 0.4809 _exptl_absorpt_correction_T_max 0.7634 _exptl_absorpt_process_details 'ABSCOR (T.Higashi, 2001)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 183(2) _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'Rigaku Rotating Anode ultraX18' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Rigaku R-AXIS RAPID Imaging Plate' _diffrn_measurement_method 'oscillation photograph' _diffrn_detector_area_resol_mean 100 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 26706 _diffrn_reflns_av_R_equivalents 0.0331 _diffrn_reflns_av_sigmaI/netI 0.0429 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 3.08 _diffrn_reflns_theta_max 27.48 _reflns_number_total 12270 _reflns_number_gt 10558 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'PROCESS-AUTO (T.Higashi, 1998)' _computing_cell_refinement 'PROCESS-AUTO (T.Higashi, 1998)' _computing_data_reduction 'PROCESS-AUTO (T.Higashi, 1998)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'ORTEX (P.McArdle, 1995)' _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^)+(0.0341P)^2^+1.7826P] 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 ref _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 12260 _refine_ls_number_parameters 598 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0381 _refine_ls_R_factor_gt 0.0303 _refine_ls_wR_factor_ref 0.0768 _refine_ls_wR_factor_gt 0.0733 _refine_ls_goodness_of_fit_ref 1.037 _refine_ls_restrained_S_all 1.037 _refine_ls_shift/su_max 0.002 _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 Os1 Os 0.658200(14) 0.183401(9) 0.299030(8) 0.02565(5) Uani 0.60 1 d P A 1 Ru1 Ru 0.491601(19) 0.324744(12) 0.296256(12) 0.03050(6) Uani 0.60 1 d P A 1 Ru2 Ru 0.52280(2) 0.224379(14) 0.173421(12) 0.03135(6) Uani 0.60 1 d P A 1 Ru1A Ru 0.658200(14) 0.183401(9) 0.299030(8) 0.02565(5) Uani 0.25 1 d P A 2 RU2A Os 0.491601(19) 0.324744(12) 0.296256(12) 0.03050(6) Uani 0.25 1 d P A 2 OS1A Ru 0.52280(2) 0.224379(14) 0.173421(12) 0.03135(6) Uani 0.25 1 d P A 2 Ru2B Ru 0.658200(14) 0.183401(9) 0.299030(8) 0.02565(5) Uani 0.15 1 d P A 3 OS1B Ru 0.491601(19) 0.324744(12) 0.296256(12) 0.03050(6) Uani 0.15 1 d P A 3 RU1B Os 0.52280(2) 0.224379(14) 0.173421(12) 0.03135(6) Uani 0.15 1 d P A 3 B1 B 0.7912(4) 0.1969(3) 0.7365(2) 0.0385(8) Uani 1 1 d . . . C11 C 0.3788(4) 0.1775(4) 0.0994(2) 0.0607(12) Uani 1 1 d . . . C12 C 0.4150(4) 0.2663(3) 0.0715(2) 0.0578(11) Uani 1 1 d . A . C13 C 0.5476(4) 0.2616(2) 0.05137(19) 0.0449(9) Uani 1 1 d . . . C14 C 0.5885(4) 0.1666(2) 0.06316(18) 0.0392(8) Uani 1 1 d . A . C15 C 0.4831(4) 0.1163(3) 0.09284(19) 0.0500(10) Uani 1 1 d . A . C16 C 0.2472(5) 0.1480(6) 0.1269(3) 0.118(3) Uani 1 1 d . A . H16A H 0.2527 0.1101 0.1753 0.177 Uiso 1 1 calc R . . H16B H 0.2102 0.1124 0.0881 0.177 Uiso 1 1 calc R . . H16C H 0.1938 0.2024 0.1350 0.177 Uiso 1 1 calc R . . C17 C 0.3330(7) 0.3520(5) 0.0578(3) 0.111(3) Uani 1 1 d . . . H17A H 0.3809 0.4060 0.0685 0.166 Uiso 1 1 calc R A . H17B H 0.2575 0.3480 0.0919 0.166 Uiso 1 1 calc R . . H17C H 0.3077 0.3575 0.0042 0.166 Uiso 1 1 calc R . . C18 C 0.6265(6) 0.3381(3) 0.0146(3) 0.0767(15) Uani 1 1 d . A . H18A H 0.6102 0.3458 -0.0404 0.115 Uiso 1 1 calc R . . H18B H 0.7163 0.3232 0.0216 0.115 Uiso 1 1 calc R . . H18C H 0.6043 0.3952 0.0387 0.115 Uiso 1 1 calc R . . C19 C 0.7163(4) 0.1289(3) 0.0431(2) 0.0610(11) Uani 1 1 d . . . H19A H 0.7307 0.0706 0.0730 0.092 Uiso 1 1 calc R A . H19B H 0.7806 0.1725 0.0548 0.092 Uiso 1 1 calc R . . H19C H 0.7219 0.1188 -0.0119 0.092 Uiso 1 1 calc R . . C20 C 0.4820(6) 0.0137(3) 0.1104(3) 0.0846(19) Uani 1 1 d . . . H20A H 0.5634 -0.0073 0.1311 0.127 Uiso 1 1 calc R A . H20B H 0.4679 -0.0166 0.0631 0.127 Uiso 1 1 calc R . . H20C H 0.4139 -0.0018 0.1483 0.127 Uiso 1 1 calc R . . C1 C 0.4691(4) 0.3969(2) 0.4013(2) 0.0459(9) Uani 1 1 d . . . C2 C 0.5111(4) 0.4609(2) 0.3399(2) 0.0448(9) Uani 1 1 d . A . C3 C 0.4156(4) 0.4696(2) 0.2842(2) 0.0504(10) Uani 1 1 d . . . C4 C 0.3156(4) 0.4113(3) 0.3091(3) 0.0557(11) Uani 1 1 d . A . C5 C 0.3487(4) 0.3652(3) 0.3802(3) 0.0528(10) Uani 1 1 d . A . C6 C 0.5325(6) 0.3753(3) 0.4757(3) 0.0745(15) Uani 1 1 d . A . H6A H 0.5087 0.3140 0.4968 0.112 Uiso 1 1 calc R . . H6B H 0.5058 0.4207 0.5121 0.112 Uiso 1 1 calc R . . H6C H 0.6244 0.3771 0.4671 0.112 Uiso 1 1 calc R . . C7 C 0.6309(5) 0.5139(3) 0.3389(4) 0.0782(16) Uani 1 1 d . . . H7A H 0.6616 0.5266 0.2857 0.117 Uiso 1 1 calc R A . H7B H 0.6951 0.4778 0.3676 0.117 Uiso 1 1 calc R . . H7C H 0.6144 0.5718 0.3628 0.117 Uiso 1 1 calc R . . C8 C 0.4166(7) 0.5344(3) 0.2137(3) 0.091(2) Uani 1 1 d . A . H8A H 0.5040 0.5432 0.1946 0.137 Uiso 1 1 calc R . . H8B H 0.3790 0.5936 0.2265 0.137 Uiso 1 1 calc R . . H8C H 0.3676 0.5089 0.1740 0.137 Uiso 1 1 calc R . . C9 C 0.1945(5) 0.4036(5) 0.2699(4) 0.104(2) Uani 1 1 d . . . H9A H 0.2065 0.4227 0.2152 0.157 Uiso 1 1 calc R A . H9B H 0.1299 0.4432 0.2931 0.157 Uiso 1 1 calc R . . H9C H 0.1672 0.3399 0.2754 0.157 Uiso 1 1 calc R . . C10 C 0.2652(6) 0.3002(4) 0.4289(4) 0.103(2) Uani 1 1 d . . . H10A H 0.3179 0.2534 0.4561 0.155 Uiso 1 1 calc R A . H10B H 0.2079 0.2706 0.3959 0.155 Uiso 1 1 calc R . . H10C H 0.2157 0.3345 0.4663 0.155 Uiso 1 1 calc R . . C21 C 0.7787(3) 0.0583(2) 0.29998(19) 0.0329(7) Uani 1 1 d . . . C22 C 0.8587(3) 0.1358(2) 0.3020(2) 0.0370(7) Uani 1 1 d . A . C23 C 0.8309(3) 0.1790(2) 0.3727(2) 0.0371(7) Uani 1 1 d . . . C24 C 0.7327(3) 0.1299(2) 0.41339(18) 0.0321(7) Uani 1 1 d . A . C25 C 0.6983(3) 0.0566(2) 0.36760(18) 0.0313(6) Uani 1 1 d . A . C26 C 0.7876(4) -0.0130(2) 0.2431(2) 0.0484(9) Uani 1 1 d . A . H26A H 0.8112 0.0156 0.1923 0.073 Uiso 1 1 calc R . . H26B H 0.7055 -0.0422 0.2408 0.073 Uiso 1 1 calc R . . H26C H 0.8518 -0.0593 0.2586 0.073 Uiso 1 1 calc R . . C27 C 0.9621(4) 0.1617(3) 0.2444(2) 0.0548(10) Uani 1 1 d . . . H27A H 0.9382 0.1457 0.1934 0.082 Uiso 1 1 calc R A . H27B H 1.0403 0.1285 0.2586 0.082 Uiso 1 1 calc R . . H27C H 0.9755 0.2279 0.2436 0.082 Uiso 1 1 calc R . . C28 C 0.8974(4) 0.2596(3) 0.3998(3) 0.0559(11) Uani 1 1 d . A . H28A H 0.9249 0.2997 0.3554 0.084 Uiso 1 1 calc R . . H28B H 0.9712 0.2379 0.4288 0.084 Uiso 1 1 calc R . . H28C H 0.8395 0.2937 0.4329 0.084 Uiso 1 1 calc R . . C29 C 0.6806(4) 0.1458(3) 0.49222(19) 0.0450(8) Uani 1 1 d . . . H29A H 0.5888 0.1380 0.4939 0.068 Uiso 1 1 calc R A . H29B H 0.6994 0.2083 0.5047 0.068 Uiso 1 1 calc R . . H29C H 0.7194 0.1016 0.5296 0.068 Uiso 1 1 calc R . . C30 C 0.6057(3) -0.0174(2) 0.3923(2) 0.0430(8) Uani 1 1 d . . . H30A H 0.5377 0.0080 0.4256 0.052 Uiso 1 1 calc R A . H30B H 0.5665 -0.0394 0.3465 0.052 Uiso 1 1 calc R . . C31 C 0.6718(6) -0.0960(4) 0.4354(4) 0.0409(13) Uani 0.60 1 d P A . H31A H 0.6166 -0.1491 0.4404 0.061 Uiso 0.60 1 calc PR . . H31B H 0.6918 -0.0782 0.4867 0.061 Uiso 0.60 1 calc PR . . H31C H 0.7502 -0.1120 0.4074 0.061 Uiso 0.60 1 calc PR . . C32 C 0.8127(3) 0.1069(2) 0.68495(18) 0.0365(7) Uani 1 1 d . . . C33 C 0.9217(3) 0.0945(3) 0.6381(2) 0.0446(8) Uani 1 1 d . . . H33 H 0.9826 0.1415 0.6335 0.054 Uiso 1 1 calc R . . C34 C 1.0560(4) -0.0164(3) 0.4018(2) 0.0493(9) Uani 1 1 d . . . H34 H 0.9806 -0.0108 0.4324 0.059 Uiso 1 1 calc R . . C35 C 1.1424(4) 0.0531(3) 0.3973(2) 0.0522(10) Uani 1 1 d . . . H35 H 1.1279 0.1060 0.4253 0.063 Uiso 1 1 calc R . . C36 C 0.7490(4) -0.0443(2) 0.6488(2) 0.0454(9) Uani 1 1 d . . . H36 H 0.6891 -0.0920 0.6532 0.054 Uiso 1 1 calc R . . C37 C 0.7275(3) 0.0342(2) 0.68870(19) 0.0372(7) Uani 1 1 d . . . H37 H 0.6523 0.0389 0.7197 0.045 Uiso 1 1 calc R . . C38 C 0.3601(3) 0.7873(2) 0.24302(19) 0.0370(7) Uani 1 1 d . . . C39 C 0.4509(4) -0.2188(2) 0.3004(2) 0.0439(8) Uani 1 1 d . . . H39 H 0.4230 -0.2136 0.3523 0.053 Uiso 1 1 calc R . . C40 C 0.5785(4) -0.2319(2) 0.2847(3) 0.0523(10) Uani 1 1 d . . . H40 H 0.6357 -0.2370 0.3256 0.063 Uiso 1 1 calc R . . C41 C 0.6239(4) -0.2376(2) 0.2095(3) 0.0564(11) Uani 1 1 d . . . H41 H 0.7116 -0.2469 0.1985 0.068 Uiso 1 1 calc R . . C42 C 0.5389(4) -0.2295(2) 0.1515(3) 0.0537(10) Uani 1 1 d . . . H42 H 0.5680 -0.2315 0.0995 0.064 Uiso 1 1 calc R . . C43 C 0.4102(4) -0.2183(2) 0.1688(2) 0.0443(8) Uani 1 1 d . . . H43 H 0.3535 -0.2143 0.1276 0.053 Uiso 1 1 calc R . . C44 C 0.1464(4) 0.7137(3) 0.3132(2) 0.0471(9) Uani 1 1 d . . . C45 C 0.2132(4) 0.6515(2) 0.3619(2) 0.0503(9) Uani 1 1 d . . . H45 H 0.3020 0.6575 0.3649 0.060 Uiso 1 1 calc R . . C46 C 0.1537(5) 0.5805(3) 0.4064(3) 0.0659(13) Uani 1 1 d . . . H46 H 0.2028 0.5403 0.4392 0.079 Uiso 1 1 calc R . . C47 C 0.0268(6) 0.5680(4) 0.4034(3) 0.0851(18) Uani 1 1 d . . . H47 H -0.0130 0.5198 0.4339 0.102 Uiso 1 1 calc R . . C48 C 0.9567(6) 0.6276(4) 0.3547(3) 0.0895(19) Uani 1 1 d . . . H48 H 0.8683 0.6198 0.3513 0.107 Uiso 1 1 calc R . . C49 C 0.0155(5) 0.6982(3) 0.3111(3) 0.0693(13) Uani 1 1 d . . . H49 H -0.0344 0.7379 0.2784 0.083 Uiso 1 1 calc R . . C50 C 0.8698(4) 0.1779(3) -0.1839(2) 0.0472(9) Uani 1 1 d . . . C51 C 0.8972(5) 0.2500(4) -0.1385(3) 0.0718(14) Uani 1 1 d . . . H51 H 0.8654 0.3098 -0.1530 0.086 Uiso 1 1 calc R . . C52 C 0.9691(6) 0.2374(5) -0.0733(3) 0.099(2) Uani 1 1 d . . . H52 H 0.9872 0.2882 -0.0448 0.119 Uiso 1 1 calc R . . C53 C 1.0140(5) 0.1505(6) -0.0502(3) 0.099(2) Uani 1 1 d . . . H53 H 1.0646 0.1415 -0.0064 0.119 Uiso 1 1 calc R . . C54 C 1.0154(5) -0.0765(5) 0.0916(3) 0.0831(18) Uani 1 1 d . . . H54 H 0.9871 -0.0164 0.0753 0.100 Uiso 1 1 calc R . . C55 C 1.0862(4) -0.0911(3) 0.1567(2) 0.0547(10) Uani 1 1 d . . . H55 H 1.1059 -0.0397 0.1842 0.066 Uiso 1 1 calc R . . H1 H 0.527(4) 0.219(3) 0.344(2) 0.059(12) Uiso 1 1 d . . . H2 H 0.652(3) 0.294(2) 0.3118(18) 0.027(8) Uiso 1 1 d . . . H3 H 0.553(4) 0.137(3) 0.246(2) 0.060(12) Uiso 1 1 d . . . H4 H 0.691(3) 0.1988(18) 0.2014(16) 0.014(7) Uiso 1 1 d . . . H5 H 0.401(4) 0.261(2) 0.236(2) 0.047(10) Uiso 1 1 d . . . H6 H 0.550(4) 0.345(3) 0.194(2) 0.055(11) Uiso 1 1 d . . . O1 O 0.9186(14) 0.3824(9) 0.1269(8) 0.141(4) Uiso 0.50 1 d P . . C56 C 0.8579(11) 0.4276(8) 0.1849(7) 0.168(4) Uiso 1 1 d . . . C57 C -0.0014(17) 0.5169(12) 0.1054(10) 0.251(7) Uiso 1 1 d . . . O2 O 0.8798(15) 0.5447(10) 0.1556(9) 0.165(5) Uiso 0.50 1 d P . . C58 C 0.796(2) 0.4981(14) 0.1279(12) 0.297(9) Uiso 1 1 d . . . C59 C 0.0014(16) 0.4203(12) 0.1107(9) 0.217(6) Uiso 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 Os1 0.02566(8) 0.02686(8) 0.02435(8) -0.00213(5) -0.00096(6) 0.00215(5) Ru1 0.03140(11) 0.02722(10) 0.03270(11) -0.00347(7) 0.00149(8) 0.00314(7) Ru2 0.03365(13) 0.03560(12) 0.02433(11) -0.00005(8) -0.00116(9) 0.00346(8) Ru1A 0.02566(8) 0.02686(8) 0.02435(8) -0.00213(5) -0.00096(6) 0.00215(5) RU2A 0.03140(11) 0.02722(10) 0.03270(11) -0.00347(7) 0.00149(8) 0.00314(7) OS1A 0.03365(13) 0.03560(12) 0.02433(11) -0.00005(8) -0.00116(9) 0.00346(8) Ru2B 0.02566(8) 0.02686(8) 0.02435(8) -0.00213(5) -0.00096(6) 0.00215(5) OS1B 0.03140(11) 0.02722(10) 0.03270(11) -0.00347(7) 0.00149(8) 0.00314(7) RU1B 0.03365(13) 0.03560(12) 0.02433(11) -0.00005(8) -0.00116(9) 0.00346(8) B1 0.045(2) 0.041(2) 0.0291(19) 0.0015(15) -0.0061(17) -0.0091(16) C11 0.047(3) 0.110(4) 0.0261(19) -0.004(2) -0.0083(17) -0.015(2) C12 0.058(3) 0.086(3) 0.0284(19) 0.0007(19) -0.0109(18) 0.027(2) C13 0.068(3) 0.0430(19) 0.0221(16) 0.0029(13) 0.0004(16) 0.0049(16) C14 0.051(2) 0.0459(19) 0.0206(15) -0.0043(13) -0.0008(14) 0.0035(15) C15 0.076(3) 0.055(2) 0.0198(16) -0.0023(14) -0.0055(17) -0.0202(19) C16 0.057(4) 0.239(9) 0.060(4) -0.008(4) -0.015(3) -0.049(4) C17 0.124(5) 0.150(6) 0.054(3) 0.000(3) -0.020(3) 0.094(5) C18 0.130(5) 0.052(3) 0.046(3) 0.0076(19) 0.016(3) -0.017(3) C19 0.068(3) 0.077(3) 0.038(2) -0.0111(19) 0.006(2) 0.024(2) C20 0.157(6) 0.059(3) 0.040(2) -0.005(2) -0.010(3) -0.046(3) C1 0.061(2) 0.0353(18) 0.042(2) -0.0103(15) 0.0040(18) 0.0136(15) C2 0.046(2) 0.0306(17) 0.059(2) -0.0165(15) 0.0050(18) 0.0011(14) C3 0.069(3) 0.0298(18) 0.051(2) -0.0035(15) -0.001(2) 0.0190(16) C4 0.043(2) 0.052(2) 0.074(3) -0.024(2) -0.006(2) 0.0184(17) C5 0.049(2) 0.041(2) 0.069(3) -0.0172(18) 0.023(2) -0.0018(16) C6 0.116(4) 0.064(3) 0.045(3) -0.020(2) -0.016(3) 0.034(3) C7 0.069(3) 0.057(3) 0.113(4) -0.035(3) 0.021(3) -0.024(2) C8 0.170(6) 0.042(2) 0.059(3) 0.004(2) -0.005(3) 0.037(3) C9 0.048(3) 0.131(5) 0.145(6) -0.083(5) -0.024(3) 0.030(3) C10 0.109(5) 0.071(3) 0.128(5) -0.025(3) 0.071(4) -0.030(3) C21 0.0310(17) 0.0333(16) 0.0342(17) -0.0031(12) -0.0036(13) 0.0060(12) C22 0.0266(17) 0.0445(18) 0.0387(18) 0.0017(14) 0.0005(14) 0.0047(13) C23 0.0312(18) 0.0387(17) 0.0416(19) -0.0019(14) -0.0078(15) 0.0016(13) C24 0.0309(17) 0.0382(16) 0.0272(15) -0.0017(12) -0.0070(13) 0.0084(12) C25 0.0317(17) 0.0276(15) 0.0343(17) -0.0007(12) -0.0048(13) 0.0038(11) C26 0.054(2) 0.0426(19) 0.049(2) -0.0130(16) -0.0041(18) 0.0137(16) C27 0.032(2) 0.074(3) 0.056(3) 0.006(2) 0.0087(18) 0.0015(17) C28 0.045(2) 0.049(2) 0.076(3) -0.013(2) -0.014(2) -0.0074(16) C29 0.052(2) 0.055(2) 0.0279(17) -0.0035(15) -0.0062(16) 0.0118(16) C30 0.0367(19) 0.0377(18) 0.054(2) 0.0042(15) -0.0011(16) -0.0030(13) C31 0.040(3) 0.037(3) 0.046(3) 0.002(2) -0.011(3) -0.005(2) C32 0.0398(19) 0.0462(18) 0.0228(15) 0.0039(13) -0.0048(14) 0.0006(14) C33 0.037(2) 0.061(2) 0.0360(19) 0.0012(16) -0.0074(16) -0.0021(16) C34 0.039(2) 0.068(2) 0.040(2) -0.0013(18) -0.0020(17) 0.0137(17) C35 0.054(3) 0.050(2) 0.052(2) -0.0074(17) -0.0026(19) 0.0162(17) C36 0.050(2) 0.0393(18) 0.047(2) -0.0007(15) -0.0094(18) 0.0034(15) C37 0.0398(19) 0.0391(17) 0.0326(17) -0.0015(13) -0.0034(14) 0.0025(13) C38 0.052(2) 0.0252(15) 0.0350(17) -0.0030(12) -0.0064(15) -0.0040(13) C39 0.051(2) 0.0385(18) 0.044(2) -0.0094(15) -0.0074(17) -0.0032(15) C40 0.053(2) 0.042(2) 0.065(3) -0.0136(17) -0.018(2) 0.0043(16) C41 0.051(2) 0.040(2) 0.079(3) -0.0156(19) 0.001(2) -0.0019(16) C42 0.063(3) 0.041(2) 0.057(3) -0.0113(17) 0.012(2) -0.0011(17) C43 0.060(2) 0.0357(18) 0.0380(19) -0.0040(14) -0.0023(17) -0.0039(15) C44 0.061(3) 0.050(2) 0.0301(18) -0.0022(15) -0.0045(17) -0.0158(17) C45 0.072(3) 0.042(2) 0.037(2) -0.0056(15) -0.0002(19) -0.0062(17) C46 0.103(4) 0.048(2) 0.045(2) 0.0034(18) 0.005(2) -0.010(2) C47 0.118(5) 0.082(4) 0.055(3) 0.008(3) 0.010(3) -0.048(3) C48 0.084(4) 0.110(4) 0.074(4) 0.015(3) -0.010(3) -0.058(3) C49 0.068(3) 0.080(3) 0.059(3) 0.013(2) -0.011(2) -0.033(2) C50 0.040(2) 0.072(3) 0.0302(18) -0.0011(16) -0.0032(15) -0.0107(17) C51 0.089(4) 0.085(3) 0.044(2) -0.005(2) -0.015(2) -0.039(3) C52 0.102(5) 0.153(6) 0.047(3) -0.005(3) -0.022(3) -0.065(4) C53 0.055(3) 0.200(7) 0.043(3) -0.004(4) -0.021(2) -0.006(4) C54 0.060(3) 0.152(5) 0.035(2) 0.001(3) -0.006(2) 0.041(3) C55 0.043(2) 0.089(3) 0.0309(19) -0.0010(19) -0.0019(16) 0.016(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Os1 C25 2.178(3) . ? Os1 C21 2.205(3) . ? Os1 C22 2.218(3) . ? Os1 C24 2.255(3) . ? Os1 C23 2.268(3) . ? Os1 Ru1 2.6831(2) . ? Os1 Ru2 2.6870(3) . ? Ru1 C5 2.170(4) . ? Ru1 C1 2.182(4) . ? Ru1 C2 2.197(3) . ? Ru1 C4 2.240(4) . ? Ru1 C3 2.247(3) . ? Ru1 Ru2 2.6881(3) . ? Ru2 C13 2.170(3) . ? Ru2 C11 2.185(4) . ? Ru2 C12 2.191(4) . ? Ru2 C14 2.237(3) . ? Ru2 C15 2.244(4) . ? B1 C38 1.643(6) 2_666 ? B1 C50 1.649(5) 1_556 ? B1 C32 1.652(5) . ? B1 C44 1.655(5) 2_666 ? C11 C12 1.411(7) . ? C11 C15 1.411(6) . ? C11 C16 1.520(7) . ? C12 C13 1.436(6) . ? C12 C17 1.517(6) . ? C13 C14 1.447(5) . ? C13 C18 1.506(6) . ? C14 C15 1.413(5) . ? C14 C19 1.488(5) . ? C15 C20 1.511(6) . ? C1 C5 1.435(6) . ? C1 C2 1.439(5) . ? C1 C6 1.494(6) . ? C2 C3 1.425(6) . ? C2 C7 1.501(6) . ? C3 C4 1.412(6) . ? C3 C8 1.499(6) . ? C4 C5 1.421(6) . ? C4 C9 1.485(6) . ? C5 C10 1.511(6) . ? C21 C25 1.430(5) . ? C21 C22 1.434(5) . ? C21 C26 1.488(5) . ? C22 C23 1.442(5) . ? C22 C27 1.498(5) . ? C23 C24 1.418(5) . ? C23 C28 1.499(5) . ? C24 C25 1.442(4) . ? C24 C29 1.496(5) . ? C25 C30 1.507(4) . ? C30 C31 1.502(6) . ? C32 C33 1.405(5) . ? C32 C37 1.407(5) . ? C33 C34 1.390(5) 2_756 ? C34 C35 1.380(6) . ? C34 C33 1.390(5) 2_756 ? C35 C36 1.389(6) 2_756 ? C36 C35 1.389(6) 2_756 ? C36 C37 1.394(5) . ? C38 C43 1.390(5) 1_565 ? C38 C39 1.410(5) 1_565 ? C38 B1 1.643(6) 2_666 ? C39 C40 1.379(6) . ? C39 C38 1.410(5) 1_545 ? C40 C41 1.389(6) . ? C41 C42 1.377(6) . ? C42 C43 1.393(6) . ? C43 C38 1.390(5) 1_545 ? C44 C45 1.397(5) . ? C44 C49 1.411(6) . ? C44 B1 1.655(5) 2_666 ? C45 C46 1.400(6) . ? C46 C47 1.363(8) . ? C47 C48 1.395(8) 1_455 ? C48 C49 1.385(6) 1_655 ? C48 C47 1.395(8) 1_655 ? C49 C48 1.385(6) 1_455 ? C50 C55 1.398(6) 2_755 ? C50 C51 1.404(6) . ? C50 B1 1.649(5) 1_554 ? C51 C52 1.390(7) . ? C52 C53 1.384(9) . ? C53 C54 1.388(9) 2_755 ? C54 C55 1.386(6) . ? C54 C53 1.388(9) 2_755 ? C55 C50 1.398(6) 2_755 ? O1 C59 1.068(17) 1_655 ? O1 C56 1.379(15) . ? C56 C58 1.53(2) . ? C56 O2 1.771(18) . ? C56 C59 1.967(19) 1_655 ? C57 C59 1.409(18) . ? C57 O2 1.57(2) 1_455 ? O2 C58 1.26(2) . ? O2 C57 1.57(2) 1_655 ? C59 O1 1.068(17) 1_455 ? C59 C56 1.967(19) 1_455 ? 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 C25 Os1 C21 38.08(12) . . ? C25 Os1 C22 63.18(12) . . ? C21 Os1 C22 37.83(12) . . ? C25 Os1 C24 37.93(11) . . ? C21 Os1 C24 63.13(12) . . ? C22 Os1 C24 62.36(12) . . ? C25 Os1 C23 62.54(12) . . ? C21 Os1 C23 62.84(12) . . ? C22 Os1 C23 37.49(13) . . ? C24 Os1 C23 36.55(12) . . ? C25 Os1 Ru1 139.41(9) . . ? C21 Os1 Ru1 174.21(8) . . ? C22 Os1 Ru1 147.95(9) . . ? C24 Os1 Ru1 118.29(8) . . ? C23 Os1 Ru1 121.96(8) . . ? C25 Os1 Ru2 133.61(8) . . ? C21 Os1 Ru2 117.11(8) . . ? C22 Os1 Ru2 126.88(9) . . ? C24 Os1 Ru2 166.79(9) . . ? C23 Os1 Ru2 156.56(9) . . ? Ru1 Os1 Ru2 60.074(7) . . ? C5 Ru1 C1 38.50(16) . . ? C5 Ru1 C2 63.62(14) . . ? C1 Ru1 C2 38.38(14) . . ? C5 Ru1 C4 37.55(17) . . ? C1 Ru1 C4 63.35(15) . . ? C2 Ru1 C4 62.48(15) . . ? C5 Ru1 C3 62.49(15) . . ? C1 Ru1 C3 63.18(14) . . ? C2 Ru1 C3 37.38(15) . . ? C4 Ru1 C3 36.69(16) . . ? C5 Ru1 Os1 131.26(12) . . ? C1 Ru1 Os1 116.37(10) . . ? C2 Ru1 Os1 128.80(10) . . ? C4 Ru1 Os1 163.40(12) . . ? C3 Ru1 Os1 159.72(12) . . ? C5 Ru1 Ru2 141.43(11) . . ? C1 Ru1 Ru2 175.72(9) . . ? C2 Ru1 Ru2 145.37(11) . . ? C4 Ru1 Ru2 119.30(11) . . ? C3 Ru1 Ru2 121.03(10) . . ? Os1 Ru1 Ru2 60.033(7) . . ? C13 Ru2 C11 63.55(16) . . ? C13 Ru2 C12 38.43(16) . . ? C11 Ru2 C12 37.63(18) . . ? C13 Ru2 C14 38.29(13) . . ? C11 Ru2 C14 62.39(16) . . ? C12 Ru2 C14 63.28(14) . . ? C13 Ru2 C15 62.98(13) . . ? C11 Ru2 C15 37.14(17) . . ? C12 Ru2 C15 62.52(16) . . ? C14 Ru2 C15 36.78(14) . . ? C13 Ru2 Os1 140.85(11) . . ? C11 Ru2 Os1 145.59(13) . . ? C12 Ru2 Os1 176.61(13) . . ? C14 Ru2 Os1 118.30(9) . . ? C15 Ru2 Os1 120.66(10) . . ? C13 Ru2 Ru1 132.55(9) . . ? C11 Ru2 Ru1 128.49(13) . . ? C12 Ru2 Ru1 117.72(11) . . ? C14 Ru2 Ru1 165.14(10) . . ? C15 Ru2 Ru1 158.04(11) . . ? Os1 Ru2 Ru1 59.892(7) . . ? C38 B1 C50 110.2(3) 2_666 1_556 ? C38 B1 C32 110.1(3) 2_666 . ? C50 B1 C32 108.1(3) 1_556 . ? C38 B1 C44 112.4(3) 2_666 2_666 ? C50 B1 C44 108.1(3) 1_556 2_666 ? C32 B1 C44 107.8(3) . 2_666 ? C12 C11 C15 109.2(4) . . ? C12 C11 C16 126.9(5) . . ? C15 C11 C16 123.7(5) . . ? C12 C11 Ru2 71.4(2) . . ? C15 C11 Ru2 73.7(2) . . ? C16 C11 Ru2 124.7(3) . . ? C11 C12 C13 107.3(4) . . ? C11 C12 C17 128.8(5) . . ? C13 C12 C17 123.7(5) . . ? C11 C12 Ru2 71.0(2) . . ? C13 C12 Ru2 70.0(2) . . ? C17 C12 Ru2 127.8(3) . . ? C12 C13 C14 107.4(3) . . ? C12 C13 C18 126.6(4) . . ? C14 C13 C18 125.5(4) . . ? C12 C13 Ru2 71.6(2) . . ? C14 C13 Ru2 73.35(18) . . ? C18 C13 Ru2 126.7(3) . . ? C15 C14 C13 107.5(3) . . ? C15 C14 C19 126.7(4) . . ? C13 C14 C19 125.7(4) . . ? C15 C14 Ru2 71.9(2) . . ? C13 C14 Ru2 68.36(19) . . ? C19 C14 Ru2 127.8(3) . . ? C11 C15 C14 108.4(3) . . ? C11 C15 C20 126.2(4) . . ? C14 C15 C20 125.3(5) . . ? C11 C15 Ru2 69.2(2) . . ? C14 C15 Ru2 71.36(19) . . ? C20 C15 Ru2 127.6(3) . . ? C5 C1 C2 106.4(3) . . ? C5 C1 C6 126.9(4) . . ? C2 C1 C6 126.4(4) . . ? C5 C1 Ru1 70.3(2) . . ? C2 C1 Ru1 71.4(2) . . ? C6 C1 Ru1 127.8(3) . . ? C3 C2 C1 108.2(3) . . ? C3 C2 C7 126.7(4) . . ? C1 C2 C7 124.9(4) . . ? C3 C2 Ru1 73.20(19) . . ? C1 C2 Ru1 70.24(19) . . ? C7 C2 Ru1 125.8(3) . . ? C4 C3 C2 108.4(4) . . ? C4 C3 C8 125.6(5) . . ? C2 C3 C8 125.9(4) . . ? C4 C3 Ru1 71.4(2) . . ? C2 C3 Ru1 69.42(18) . . ? C8 C3 Ru1 128.1(3) . . ? C3 C4 C5 108.0(4) . . ? C3 C4 C9 125.8(5) . . ? C5 C4 C9 126.2(5) . . ? C3 C4 Ru1 71.9(2) . . ? C5 C4 Ru1 68.5(2) . . ? C9 C4 Ru1 127.6(3) . . ? C4 C5 C1 108.8(4) . . ? C4 C5 C10 125.4(5) . . ? C1 C5 C10 125.6(5) . . ? C4 C5 Ru1 73.9(2) . . ? C1 C5 Ru1 71.2(2) . . ? C10 C5 Ru1 125.2(3) . . ? C25 C21 C22 107.1(3) . . ? C25 C21 C26 126.2(3) . . ? C22 C21 C26 126.4(3) . . ? C25 C21 Os1 69.93(16) . . ? C22 C21 Os1 71.59(17) . . ? C26 C21 Os1 128.8(2) . . ? C21 C22 C23 108.4(3) . . ? C21 C22 C27 125.6(3) . . ? C23 C22 C27 125.8(3) . . ? C21 C22 Os1 70.59(18) . . ? C23 C22 Os1 73.15(19) . . ? C27 C22 Os1 126.7(2) . . ? C24 C23 C22 108.1(3) . . ? C24 C23 C28 125.9(3) . . ? C22 C23 C28 126.0(3) . . ? C24 C23 Os1 71.20(18) . . ? C22 C23 Os1 69.36(18) . . ? C28 C23 Os1 126.8(2) . . ? C23 C24 C25 107.6(3) . . ? C23 C24 C29 126.6(3) . . ? C25 C24 C29 125.6(3) . . ? C23 C24 Os1 72.25(18) . . ? C25 C24 Os1 68.14(16) . . ? C29 C24 Os1 128.6(2) . . ? C21 C25 C24 108.8(3) . . ? C21 C25 C30 125.4(3) . . ? C24 C25 C30 125.3(3) . . ? C21 C25 Os1 71.99(17) . . ? C24 C25 Os1 73.93(17) . . ? C30 C25 Os1 126.6(2) . . ? C31 C30 C25 110.3(3) . . ? C33 C32 C37 115.1(3) . . ? C33 C32 B1 122.3(3) . . ? C37 C32 B1 122.5(3) . . ? C34 C33 C32 122.7(4) 2_756 . ? C35 C34 C33 120.6(4) . 2_756 ? C34 C35 C36 118.8(4) . 2_756 ? C35 C36 C37 120.2(4) 2_756 . ? C36 C37 C32 122.6(3) . . ? C43 C38 C39 114.3(4) 1_565 1_565 ? C43 C38 B1 123.7(3) 1_565 2_666 ? C39 C38 B1 121.9(3) 1_565 2_666 ? C40 C39 C38 123.0(4) . 1_545 ? C39 C40 C41 120.5(4) . . ? C42 C41 C40 118.4(4) . . ? C41 C42 C43 120.1(4) . . ? C38 C43 C42 123.6(4) 1_545 . ? C45 C44 C49 114.9(4) . . ? C45 C44 B1 124.9(4) . 2_666 ? C49 C44 B1 120.1(3) . 2_666 ? C44 C45 C46 122.3(4) . . ? C47 C46 C45 121.2(5) . . ? C46 C47 C48 118.4(4) . 1_455 ? C49 C48 C47 120.3(5) 1_655 1_655 ? C48 C49 C44 122.8(5) 1_455 . ? C55 C50 C51 115.4(4) 2_755 . ? C55 C50 B1 123.6(3) 2_755 1_554 ? C51 C50 B1 121.0(4) . 1_554 ? C52 C51 C50 122.6(5) . . ? C53 C52 C51 119.7(6) . . ? C52 C53 C54 119.6(5) . 2_755 ? C55 C54 C53 119.5(5) . 2_755 ? C54 C55 C50 123.1(5) . 2_755 ? C59 O1 C56 106.3(15) 1_655 . ? O1 C56 C58 92.6(12) . . ? O1 C56 O2 103.3(10) . . ? C58 C56 O2 44.2(8) . . ? O1 C56 C59 31.4(7) . 1_655 ? C58 C56 C59 87.9(11) . 1_655 ? O2 C56 C59 78.3(8) . 1_655 ? C59 C57 O2 105.1(15) . 1_455 ? C58 O2 C57 100.6(16) . 1_655 ? C58 O2 C56 57.9(12) . . ? C57 O2 C56 89.4(10) 1_655 . ? O2 C58 C56 77.9(15) . . ? O1 C59 C57 121.2(18) 1_455 . ? O1 C59 C56 42.3(10) 1_455 1_455 ? C57 C59 C56 86.8(12) . 1_455 ? 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 C25 Os1 Ru1 C5 10.5(2) . . . . ? C21 Os1 Ru1 C5 71.7(9) . . . . ? C22 Os1 Ru1 C5 -113.3(2) . . . . ? C24 Os1 Ru1 C5 -30.99(18) . . . . ? C23 Os1 Ru1 C5 -73.30(18) . . . . ? Ru2 Os1 Ru1 C5 134.00(15) . . . . ? C25 Os1 Ru1 C1 53.90(18) . . . . ? C21 Os1 Ru1 C1 115.1(9) . . . . ? C22 Os1 Ru1 C1 -70.0(2) . . . . ? C24 Os1 Ru1 C1 12.37(16) . . . . ? C23 Os1 Ru1 C1 -29.95(16) . . . . ? Ru2 Os1 Ru1 C1 177.36(12) . . . . ? C25 Os1 Ru1 C2 97.50(19) . . . . ? C21 Os1 Ru1 C2 158.7(9) . . . . ? C22 Os1 Ru1 C2 -26.4(2) . . . . ? C24 Os1 Ru1 C2 55.97(17) . . . . ? C23 Os1 Ru1 C2 13.66(18) . . . . ? Ru2 Os1 Ru1 C2 -139.04(14) . . . . ? C25 Os1 Ru1 C4 -31.0(4) . . . . ? C21 Os1 Ru1 C4 30.2(9) . . . . ? C22 Os1 Ru1 C4 -154.9(4) . . . . ? C24 Os1 Ru1 C4 -72.5(4) . . . . ? C23 Os1 Ru1 C4 -114.8(4) . . . . ? Ru2 Os1 Ru1 C4 92.5(4) . . . . ? C25 Os1 Ru1 C3 137.5(3) . . . . ? C21 Os1 Ru1 C3 -161.3(9) . . . . ? C22 Os1 Ru1 C3 13.7(3) . . . . ? C24 Os1 Ru1 C3 96.0(3) . . . . ? C23 Os1 Ru1 C3 53.7(3) . . . . ? Ru2 Os1 Ru1 C3 -99.0(3) . . . . ? C25 Os1 Ru1 Ru2 -123.46(13) . . . . ? C21 Os1 Ru1 Ru2 -62.3(9) . . . . ? C22 Os1 Ru1 Ru2 112.67(17) . . . . ? C24 Os1 Ru1 Ru2 -164.99(10) . . . . ? C23 Os1 Ru1 Ru2 152.70(11) . . . . ? C25 Os1 Ru2 C13 -106.85(19) . . . . ? C21 Os1 Ru2 C13 -64.04(18) . . . . ? C22 Os1 Ru2 C13 -20.53(19) . . . . ? C24 Os1 Ru2 C13 -151.7(4) . . . . ? C23 Os1 Ru2 C13 19.7(3) . . . . ? Ru1 Os1 Ru2 C13 121.72(15) . . . . ? C25 Os1 Ru2 C11 16.2(3) . . . . ? C21 Os1 Ru2 C11 59.0(2) . . . . ? C22 Os1 Ru2 C11 102.5(3) . . . . ? C24 Os1 Ru2 C11 -28.7(4) . . . . ? C23 Os1 Ru2 C11 142.8(3) . . . . ? Ru1 Os1 Ru2 C11 -115.3(2) . . . . ? C25 Os1 Ru2 C12 177(2) . . . . ? C21 Os1 Ru2 C12 -140(2) . . . . ? C22 Os1 Ru2 C12 -96(2) . . . . ? C24 Os1 Ru2 C12 132(2) . . . . ? C23 Os1 Ru2 C12 -56(2) . . . . ? Ru1 Os1 Ru2 C12 46(2) . . . . ? C25 Os1 Ru2 C14 -65.48(16) . . . . ? C21 Os1 Ru2 C14 -22.67(14) . . . . ? C22 Os1 Ru2 C14 20.84(15) . . . . ? C24 Os1 Ru2 C14 -110.3(4) . . . . ? C23 Os1 Ru2 C14 61.1(2) . . . . ? Ru1 Os1 Ru2 C14 163.09(11) . . . . ? C25 Os1 Ru2 C15 -23.07(17) . . . . ? C21 Os1 Ru2 C15 19.74(16) . . . . ? C22 Os1 Ru2 C15 63.25(17) . . . . ? C24 Os1 Ru2 C15 -67.9(4) . . . . ? C23 Os1 Ru2 C15 103.5(2) . . . . ? Ru1 Os1 Ru2 C15 -154.50(13) . . . . ? C25 Os1 Ru2 Ru1 131.43(12) . . . . ? C21 Os1 Ru2 Ru1 174.24(10) . . . . ? C22 Os1 Ru2 Ru1 -142.25(11) . . . . ? C24 Os1 Ru2 Ru1 86.6(3) . . . . ? C23 Os1 Ru2 Ru1 -102.0(2) . . . . ? C5 Ru1 Ru2 C13 106.9(2) . . . . ? C1 Ru1 Ru2 C13 -166.8(15) . . . . ? C2 Ru1 Ru2 C13 -17.2(2) . . . . ? C4 Ru1 Ru2 C13 65.9(2) . . . . ? C3 Ru1 Ru2 C13 23.2(2) . . . . ? Os1 Ru1 Ru2 C13 -133.21(15) . . . . ? C5 Ru1 Ru2 C11 19.4(2) . . . . ? C1 Ru1 Ru2 C11 105.7(15) . . . . ? C2 Ru1 Ru2 C11 -104.8(2) . . . . ? C4 Ru1 Ru2 C11 -21.7(2) . . . . ? C3 Ru1 Ru2 C11 -64.3(2) . . . . ? Os1 Ru1 Ru2 C11 139.23(16) . . . . ? C5 Ru1 Ru2 C12 62.9(2) . . . . ? C1 Ru1 Ru2 C12 149.2(15) . . . . ? C2 Ru1 Ru2 C12 -61.3(2) . . . . ? C4 Ru1 Ru2 C12 21.8(2) . . . . ? C3 Ru1 Ru2 C12 -20.8(2) . . . . ? Os1 Ru1 Ru2 C12 -177.25(15) . . . . ? C5 Ru1 Ru2 C14 152.9(4) . . . . ? C1 Ru1 Ru2 C14 -120.8(15) . . . . ? C2 Ru1 Ru2 C14 28.7(4) . . . . ? C4 Ru1 Ru2 C14 111.9(4) . . . . ? C3 Ru1 Ru2 C14 69.2(4) . . . . ? Os1 Ru1 Ru2 C14 -87.2(3) . . . . ? C5 Ru1 Ru2 C15 -21.9(3) . . . . ? C1 Ru1 Ru2 C15 64.4(15) . . . . ? C2 Ru1 Ru2 C15 -146.1(3) . . . . ? C4 Ru1 Ru2 C15 -63.0(3) . . . . ? C3 Ru1 Ru2 C15 -105.6(3) . . . . ? Os1 Ru1 Ru2 C15 97.9(3) . . . . ? C5 Ru1 Ru2 Os1 -119.87(19) . . . . ? C1 Ru1 Ru2 Os1 -33.6(15) . . . . ? C2 Ru1 Ru2 Os1 115.98(18) . . . . ? C4 Ru1 Ru2 Os1 -160.90(14) . . . . ? C3 Ru1 Ru2 Os1 156.45(14) . . . . ? C13 Ru2 C11 C12 -38.0(2) . . . . ? C14 Ru2 C11 C12 -81.2(3) . . . . ? C15 Ru2 C11 C12 -117.4(3) . . . . ? Os1 Ru2 C11 C12 178.21(18) . . . . ? Ru1 Ru2 C11 C12 86.7(3) . . . . ? C13 Ru2 C11 C15 79.4(2) . . . . ? C12 Ru2 C11 C15 117.4(3) . . . . ? C14 Ru2 C11 C15 36.2(2) . . . . ? Os1 Ru2 C11 C15 -64.3(3) . . . . ? Ru1 Ru2 C11 C15 -155.88(17) . . . . ? C13 Ru2 C11 C16 -160.5(6) . . . . ? C12 Ru2 C11 C16 -122.5(6) . . . . ? C14 Ru2 C11 C16 156.3(6) . . . . ? C15 Ru2 C11 C16 120.0(6) . . . . ? Os1 Ru2 C11 C16 55.7(6) . . . . ? Ru1 Ru2 C11 C16 -35.8(6) . . . . ? C15 C11 C12 C13 -3.5(4) . . . . ? C16 C11 C12 C13 -179.2(4) . . . . ? Ru2 C11 C12 C13 60.9(3) . . . . ? C15 C11 C12 C17 171.9(4) . . . . ? C16 C11 C12 C17 -3.8(7) . . . . ? Ru2 C11 C12 C17 -123.7(5) . . . . ? C15 C11 C12 Ru2 -64.4(3) . . . . ? C16 C11 C12 Ru2 119.9(4) . . . . ? C13 Ru2 C12 C11 117.5(4) . . . . ? C14 Ru2 C12 C11 78.7(3) . . . . ? C15 Ru2 C12 C11 37.2(3) . . . . ? Os1 Ru2 C12 C11 -162.6(18) . . . . ? Ru1 Ru2 C12 C11 -118.0(2) . . . . ? C11 Ru2 C12 C13 -117.5(4) . . . . ? C14 Ru2 C12 C13 -38.8(2) . . . . ? C15 Ru2 C12 C13 -80.3(2) . . . . ? Os1 Ru2 C12 C13 80(2) . . . . ? Ru1 Ru2 C12 C13 124.5(2) . . . . ? C13 Ru2 C12 C17 -117.7(6) . . . . ? C11 Ru2 C12 C17 124.8(6) . . . . ? C14 Ru2 C12 C17 -156.5(6) . . . . ? C15 Ru2 C12 C17 162.0(6) . . . . ? Os1 Ru2 C12 C17 -38(2) . . . . ? Ru1 Ru2 C12 C17 6.8(6) . . . . ? C11 C12 C13 C14 3.6(4) . . . . ? C17 C12 C13 C14 -172.1(4) . . . . ? Ru2 C12 C13 C14 65.1(2) . . . . ? C11 C12 C13 C18 176.0(4) . . . . ? C17 C12 C13 C18 0.3(7) . . . . ? Ru2 C12 C13 C18 -122.5(4) . . . . ? C11 C12 C13 Ru2 -61.5(3) . . . . ? C17 C12 C13 Ru2 122.8(4) . . . . ? C11 Ru2 C13 C12 37.2(3) . . . . ? C14 Ru2 C13 C12 115.4(3) . . . . ? C15 Ru2 C13 C12 79.0(3) . . . . ? Os1 Ru2 C13 C12 -174.7(2) . . . . ? Ru1 Ru2 C13 C12 -81.9(3) . . . . ? C11 Ru2 C13 C14 -78.2(3) . . . . ? C12 Ru2 C13 C14 -115.4(3) . . . . ? C15 Ru2 C13 C14 -36.4(2) . . . . ? Os1 Ru2 C13 C14 69.9(3) . . . . ? Ru1 Ru2 C13 C14 162.69(16) . . . . ? C11 Ru2 C13 C18 159.6(4) . . . . ? C12 Ru2 C13 C18 122.3(5) . . . . ? C14 Ru2 C13 C18 -122.3(5) . . . . ? C15 Ru2 C13 C18 -158.6(4) . . . . ? Os1 Ru2 C13 C18 -52.4(4) . . . . ? Ru1 Ru2 C13 C18 40.4(4) . . . . ? C12 C13 C14 C15 -2.3(4) . . . . ? C18 C13 C14 C15 -174.8(4) . . . . ? Ru2 C13 C14 C15 61.6(2) . . . . ? C12 C13 C14 C19 174.4(3) . . . . ? C18 C13 C14 C19 1.8(6) . . . . ? Ru2 C13 C14 C19 -121.7(4) . . . . ? C12 C13 C14 Ru2 -63.9(2) . . . . ? C18 C13 C14 Ru2 123.6(4) . . . . ? C13 Ru2 C14 C15 -118.0(3) . . . . ? C11 Ru2 C14 C15 -36.6(2) . . . . ? C12 Ru2 C14 C15 -79.1(3) . . . . ? Os1 Ru2 C14 C15 104.3(2) . . . . ? Ru1 Ru2 C14 C15 -176.8(3) . . . . ? C11 Ru2 C14 C13 81.4(3) . . . . ? C12 Ru2 C14 C13 39.0(2) . . . . ? C15 Ru2 C14 C13 118.0(3) . . . . ? Os1 Ru2 C14 C13 -137.7(2) . . . . ? Ru1 Ru2 C14 C13 -58.7(4) . . . . ? C13 Ru2 C14 C19 119.2(4) . . . . ? C11 Ru2 C14 C19 -159.4(4) . . . . ? C12 Ru2 C14 C19 158.1(4) . . . . ? C15 Ru2 C14 C19 -122.8(4) . . . . ? Os1 Ru2 C14 C19 -18.5(4) . . . . ? Ru1 Ru2 C14 C19 60.4(5) . . . . ? C12 C11 C15 C14 2.1(4) . . . . ? C16 C11 C15 C14 178.0(4) . . . . ? Ru2 C11 C15 C14 -60.9(2) . . . . ? C12 C11 C15 C20 -174.9(4) . . . . ? C16 C11 C15 C20 0.9(6) . . . . ? Ru2 C11 C15 C20 122.1(4) . . . . ? C12 C11 C15 Ru2 63.0(3) . . . . ? C16 C11 C15 Ru2 -121.2(4) . . . . ? C13 C14 C15 C11 0.2(4) . . . . ? C19 C14 C15 C11 -176.5(3) . . . . ? Ru2 C14 C15 C11 59.5(3) . . . . ? C13 C14 C15 C20 177.2(3) . . . . ? C19 C14 C15 C20 0.6(6) . . . . ? Ru2 C14 C15 C20 -123.4(4) . . . . ? C13 C14 C15 Ru2 -59.3(2) . . . . ? C19 C14 C15 Ru2 124.0(4) . . . . ? C13 Ru2 C15 C11 -81.1(3) . . . . ? C12 Ru2 C15 C11 -37.6(2) . . . . ? C14 Ru2 C15 C11 -119.0(3) . . . . ? Os1 Ru2 C15 C11 143.7(2) . . . . ? Ru1 Ru2 C15 C11 58.8(4) . . . . ? C13 Ru2 C15 C14 37.9(2) . . . . ? C11 Ru2 C15 C14 119.0(3) . . . . ? C12 Ru2 C15 C14 81.3(2) . . . . ? Os1 Ru2 C15 C14 -97.3(2) . . . . ? Ru1 Ru2 C15 C14 177.78(19) . . . . ? C13 Ru2 C15 C20 158.6(5) . . . . ? C11 Ru2 C15 C20 -120.3(5) . . . . ? C12 Ru2 C15 C20 -158.0(5) . . . . ? C14 Ru2 C15 C20 120.7(6) . . . . ? Os1 Ru2 C15 C20 23.4(5) . . . . ? Ru1 Ru2 C15 C20 -61.5(6) . . . . ? C2 Ru1 C1 C5 116.0(3) . . . . ? C4 Ru1 C1 C5 37.4(2) . . . . ? C3 Ru1 C1 C5 78.7(3) . . . . ? Os1 Ru1 C1 C5 -124.0(2) . . . . ? Ru2 Ru1 C1 C5 -91.7(15) . . . . ? C5 Ru1 C1 C2 -116.0(3) . . . . ? C4 Ru1 C1 C2 -78.5(2) . . . . ? C3 Ru1 C1 C2 -37.3(2) . . . . ? Os1 Ru1 C1 C2 120.03(19) . . . . ? Ru2 Ru1 C1 C2 152.4(14) . . . . ? C5 Ru1 C1 C6 122.0(5) . . . . ? C2 Ru1 C1 C6 -122.1(5) . . . . ? C4 Ru1 C1 C6 159.4(5) . . . . ? C3 Ru1 C1 C6 -159.3(5) . . . . ? Os1 Ru1 C1 C6 -2.0(5) . . . . ? Ru2 Ru1 C1 C6 30.3(18) . . . . ? C5 C1 C2 C3 1.8(4) . . . . ? C6 C1 C2 C3 -172.5(3) . . . . ? Ru1 C1 C2 C3 63.8(2) . . . . ? C5 C1 C2 C7 177.6(4) . . . . ? C6 C1 C2 C7 3.3(6) . . . . ? Ru1 C1 C2 C7 -120.4(4) . . . . ? C5 C1 C2 Ru1 -61.9(2) . . . . ? C6 C1 C2 Ru1 123.7(4) . . . . ? C5 Ru1 C2 C3 -78.5(3) . . . . ? C1 Ru1 C2 C3 -117.1(3) . . . . ? C4 Ru1 C2 C3 -36.1(2) . . . . ? Os1 Ru1 C2 C3 158.5(2) . . . . ? Ru2 Ru1 C2 C3 66.4(3) . . . . ? C5 Ru1 C2 C1 38.7(2) . . . . ? C4 Ru1 C2 C1 81.0(3) . . . . ? C3 Ru1 C2 C1 117.1(3) . . . . ? Os1 Ru1 C2 C1 -84.4(2) . . . . ? Ru2 Ru1 C2 C1 -176.51(17) . . . . ? C5 Ru1 C2 C7 158.1(5) . . . . ? C1 Ru1 C2 C7 119.4(5) . . . . ? C4 Ru1 C2 C7 -159.6(5) . . . . ? C3 Ru1 C2 C7 -123.5(5) . . . . ? Os1 Ru1 C2 C7 35.0(5) . . . . ? Ru2 Ru1 C2 C7 -57.1(5) . . . . ? C1 C2 C3 C4 -0.9(4) . . . . ? C7 C2 C3 C4 -176.5(4) . . . . ? Ru1 C2 C3 C4 61.0(3) . . . . ? C1 C2 C3 C8 175.3(4) . . . . ? C7 C2 C3 C8 -0.4(6) . . . . ? Ru1 C2 C3 C8 -122.8(4) . . . . ? C1 C2 C3 Ru1 -61.9(2) . . . . ? C7 C2 C3 Ru1 122.4(4) . . . . ? C5 Ru1 C3 C4 -37.1(3) . . . . ? C1 Ru1 C3 C4 -80.6(3) . . . . ? C2 Ru1 C3 C4 -118.9(4) . . . . ? Os1 Ru1 C3 C4 -174.5(2) . . . . ? Ru2 Ru1 C3 C4 98.5(2) . . . . ? C5 Ru1 C3 C2 81.7(3) . . . . ? C1 Ru1 C3 C2 38.3(2) . . . . ? C4 Ru1 C3 C2 118.9(4) . . . . ? Os1 Ru1 C3 C2 -55.7(4) . . . . ? Ru2 Ru1 C3 C2 -142.6(2) . . . . ? C5 Ru1 C3 C8 -158.2(5) . . . . ? C1 Ru1 C3 C8 158.3(5) . . . . ? C2 Ru1 C3 C8 120.0(6) . . . . ? C4 Ru1 C3 C8 -121.1(6) . . . . ? Os1 Ru1 C3 C8 64.4(6) . . . . ? Ru2 Ru1 C3 C8 -22.5(5) . . . . ? C2 C3 C4 C5 -0.5(4) . . . . ? C8 C3 C4 C5 -176.7(4) . . . . ? Ru1 C3 C4 C5 59.3(3) . . . . ? C2 C3 C4 C9 176.5(4) . . . . ? C8 C3 C4 C9 0.3(6) . . . . ? Ru1 C3 C4 C9 -123.8(4) . . . . ? C2 C3 C4 Ru1 -59.8(2) . . . . ? C8 C3 C4 Ru1 124.0(4) . . . . ? C5 Ru1 C4 C3 118.5(3) . . . . ? C1 Ru1 C4 C3 80.1(3) . . . . ? C2 Ru1 C4 C3 36.8(2) . . . . ? Os1 Ru1 C4 C3 173.4(3) . . . . ? Ru2 Ru1 C4 C3 -103.7(2) . . . . ? C1 Ru1 C4 C5 -38.4(2) . . . . ? C2 Ru1 C4 C5 -81.7(3) . . . . ? C3 Ru1 C4 C5 -118.5(3) . . . . ? Os1 Ru1 C4 C5 54.9(5) . . . . ? Ru2 Ru1 C4 C5 137.8(2) . . . . ? C5 Ru1 C4 C9 -119.9(6) . . . . ? C1 Ru1 C4 C9 -158.2(6) . . . . ? C2 Ru1 C4 C9 158.4(6) . . . . ? C3 Ru1 C4 C9 121.6(7) . . . . ? Os1 Ru1 C4 C9 -65.0(8) . . . . ? Ru2 Ru1 C4 C9 18.0(6) . . . . ? C3 C4 C5 C1 1.7(4) . . . . ? C9 C4 C5 C1 -175.3(4) . . . . ? Ru1 C4 C5 C1 63.1(3) . . . . ? C3 C4 C5 C10 176.5(4) . . . . ? C9 C4 C5 C10 -0.4(7) . . . . ? Ru1 C4 C5 C10 -122.0(4) . . . . ? C3 C4 C5 Ru1 -61.4(3) . . . . ? C9 C4 C5 Ru1 121.6(4) . . . . ? C2 C1 C5 C4 -2.2(4) . . . . ? C6 C1 C5 C4 172.2(3) . . . . ? Ru1 C1 C5 C4 -64.8(3) . . . . ? C2 C1 C5 C10 -177.0(4) . . . . ? C6 C1 C5 C10 -2.7(6) . . . . ? Ru1 C1 C5 C10 120.3(4) . . . . ? C2 C1 C5 Ru1 62.7(2) . . . . ? C6 C1 C5 Ru1 -123.0(4) . . . . ? C1 Ru1 C5 C4 116.9(3) . . . . ? C2 Ru1 C5 C4 78.4(3) . . . . ? C3 Ru1 C5 C4 36.3(2) . . . . ? Os1 Ru1 C5 C4 -161.90(19) . . . . ? Ru2 Ru1 C5 C4 -69.9(3) . . . . ? C2 Ru1 C5 C1 -38.5(2) . . . . ? C4 Ru1 C5 C1 -116.9(3) . . . . ? C3 Ru1 C5 C1 -80.7(2) . . . . ? Os1 Ru1 C5 C1 81.2(2) . . . . ? Ru2 Ru1 C5 C1 173.13(15) . . . . ? C1 Ru1 C5 C10 -120.8(6) . . . . ? C2 Ru1 C5 C10 -159.3(5) . . . . ? C4 Ru1 C5 C10 122.3(6) . . . . ? C3 Ru1 C5 C10 158.6(5) . . . . ? Os1 Ru1 C5 C10 -39.6(5) . . . . ? Ru2 Ru1 C5 C10 52.3(6) . . . . ? C22 Os1 C21 C25 116.8(3) . . . . ? C24 Os1 C21 C25 38.09(18) . . . . ? C23 Os1 C21 C25 79.3(2) . . . . ? Ru1 Os1 C21 C25 -67.6(9) . . . . ? Ru2 Os1 C21 C25 -127.09(16) . . . . ? C25 Os1 C21 C22 -116.8(3) . . . . ? C24 Os1 C21 C22 -78.7(2) . . . . ? C23 Os1 C21 C22 -37.50(19) . . . . ? Ru1 Os1 C21 C22 175.6(8) . . . . ? Ru2 Os1 C21 C22 116.11(18) . . . . ? C25 Os1 C21 C26 120.8(4) . . . . ? C22 Os1 C21 C26 -122.4(4) . . . . ? C24 Os1 C21 C26 158.9(4) . . . . ? C23 Os1 C21 C26 -159.9(4) . . . . ? Ru1 Os1 C21 C26 53.3(10) . . . . ? Ru2 Os1 C21 C26 -6.3(3) . . . . ? C25 C21 C22 C23 2.6(3) . . . . ? C26 C21 C22 C23 -171.1(3) . . . . ? Os1 C21 C22 C23 63.8(2) . . . . ? C25 C21 C22 C27 177.0(3) . . . . ? C26 C21 C22 C27 3.3(5) . . . . ? Os1 C21 C22 C27 -121.8(3) . . . . ? C25 C21 C22 Os1 -61.3(2) . . . . ? C26 C21 C22 Os1 125.1(3) . . . . ? C25 Os1 C22 C21 38.09(19) . . . . ? C24 Os1 C22 C21 81.0(2) . . . . ? C23 Os1 C22 C21 117.1(3) . . . . ? Ru1 Os1 C22 C21 -179.17(14) . . . . ? Ru2 Os1 C22 C21 -87.85(19) . . . . ? C25 Os1 C22 C23 -79.0(2) . . . . ? C21 Os1 C22 C23 -117.1(3) . . . . ? C24 Os1 C22 C23 -36.18(18) . . . . ? Ru1 Os1 C22 C23 63.7(3) . . . . ? Ru2 Os1 C22 C23 155.01(15) . . . . ? C25 Os1 C22 C27 158.5(4) . . . . ? C21 Os1 C22 C27 120.5(4) . . . . ? C24 Os1 C22 C27 -158.6(4) . . . . ? C23 Os1 C22 C27 -122.4(4) . . . . ? Ru1 Os1 C22 C27 -58.7(4) . . . . ? Ru2 Os1 C22 C27 32.6(4) . . . . ? C21 C22 C23 C24 -1.2(4) . . . . ? C27 C22 C23 C24 -175.6(3) . . . . ? Os1 C22 C23 C24 61.0(2) . . . . ? C21 C22 C23 C28 176.7(3) . . . . ? C27 C22 C23 C28 2.3(5) . . . . ? Os1 C22 C23 C28 -121.1(3) . . . . ? C21 C22 C23 Os1 -62.2(2) . . . . ? C27 C22 C23 Os1 123.4(3) . . . . ? C25 Os1 C23 C24 -37.67(18) . . . . ? C21 Os1 C23 C24 -80.7(2) . . . . ? C22 Os1 C23 C24 -118.6(3) . . . . ? Ru1 Os1 C23 C24 95.52(18) . . . . ? Ru2 Os1 C23 C24 -176.72(16) . . . . ? C25 Os1 C23 C22 80.9(2) . . . . ? C21 Os1 C23 C22 37.84(19) . . . . ? C24 Os1 C23 C22 118.6(3) . . . . ? Ru1 Os1 C23 C22 -145.89(16) . . . . ? Ru2 Os1 C23 C22 -58.1(3) . . . . ? C25 Os1 C23 C28 -158.9(4) . . . . ? C21 Os1 C23 C28 158.0(4) . . . . ? C22 Os1 C23 C28 120.2(4) . . . . ? C24 Os1 C23 C28 -121.3(4) . . . . ? Ru1 Os1 C23 C28 -25.7(4) . . . . ? Ru2 Os1 C23 C28 62.0(5) . . . . ? C22 C23 C24 C25 -0.6(3) . . . . ? C28 C23 C24 C25 -178.5(3) . . . . ? Os1 C23 C24 C25 59.2(2) . . . . ? C22 C23 C24 C29 174.9(3) . . . . ? C28 C23 C24 C29 -3.0(5) . . . . ? Os1 C23 C24 C29 -125.3(3) . . . . ? C22 C23 C24 Os1 -59.8(2) . . . . ? C28 C23 C24 Os1 122.3(3) . . . . ? C25 Os1 C24 C23 118.1(3) . . . . ? C21 Os1 C24 C23 79.9(2) . . . . ? C22 Os1 C24 C23 37.10(19) . . . . ? Ru1 Os1 C24 C23 -106.47(18) . . . . ? Ru2 Os1 C24 C23 174.3(3) . . . . ? C21 Os1 C24 C25 -38.24(19) . . . . ? C22 Os1 C24 C25 -81.0(2) . . . . ? C23 Os1 C24 C25 -118.1(3) . . . . ? Ru1 Os1 C24 C25 135.42(16) . . . . ? Ru2 Os1 C24 C25 56.2(4) . . . . ? C25 Os1 C24 C29 -118.8(4) . . . . ? C21 Os1 C24 C29 -157.0(4) . . . . ? C22 Os1 C24 C29 160.2(4) . . . . ? C23 Os1 C24 C29 123.1(4) . . . . ? Ru1 Os1 C24 C29 16.6(3) . . . . ? Ru2 Os1 C24 C29 -62.6(5) . . . . ? C22 C21 C25 C24 -2.9(3) . . . . ? C26 C21 C25 C24 170.7(3) . . . . ? Os1 C21 C25 C24 -65.3(2) . . . . ? C22 C21 C25 C30 -175.1(3) . . . . ? C26 C21 C25 C30 -1.4(5) . . . . ? Os1 C21 C25 C30 122.6(3) . . . . ? C22 C21 C25 Os1 62.4(2) . . . . ? C26 C21 C25 Os1 -124.0(3) . . . . ? C23 C24 C25 C21 2.2(3) . . . . ? C29 C24 C25 C21 -173.3(3) . . . . ? Os1 C24 C25 C21 64.0(2) . . . . ? C23 C24 C25 C30 174.4(3) . . . . ? C29 C24 C25 C30 -1.2(5) . . . . ? Os1 C24 C25 C30 -123.8(3) . . . . ? C23 C24 C25 Os1 -61.8(2) . . . . ? C29 C24 C25 Os1 122.6(3) . . . . ? C22 Os1 C25 C21 -37.83(19) . . . . ? C24 Os1 C25 C21 -116.5(3) . . . . ? C23 Os1 C25 C21 -80.2(2) . . . . ? Ru1 Os1 C25 C21 171.76(14) . . . . ? Ru2 Os1 C25 C21 78.7(2) . . . . ? C21 Os1 C25 C24 116.5(3) . . . . ? C22 Os1 C25 C24 78.6(2) . . . . ? C23 Os1 C25 C24 36.30(19) . . . . ? Ru1 Os1 C25 C24 -71.8(2) . . . . ? Ru2 Os1 C25 C24 -164.80(14) . . . . ? C21 Os1 C25 C30 -121.2(4) . . . . ? C22 Os1 C25 C30 -159.0(3) . . . . ? C24 Os1 C25 C30 122.3(4) . . . . ? C23 Os1 C25 C30 158.6(3) . . . . ? Ru1 Os1 C25 C30 50.6(3) . . . . ? Ru2 Os1 C25 C30 -42.5(3) . . . . ? C21 C25 C30 C31 83.9(5) . . . . ? C24 C25 C30 C31 -87.0(4) . . . . ? Os1 C25 C30 C31 177.1(3) . . . . ? C38 B1 C32 C33 158.2(3) 2_666 . . . ? C50 B1 C32 C33 -81.4(4) 1_556 . . . ? C44 B1 C32 C33 35.3(4) 2_666 . . . ? C38 B1 C32 C37 -26.2(4) 2_666 . . . ? C50 B1 C32 C37 94.2(4) 1_556 . . . ? C44 B1 C32 C37 -149.1(3) 2_666 . . . ? C37 C32 C33 C34 0.1(5) . . . 2_756 ? B1 C32 C33 C34 176.0(3) . . . 2_756 ? C33 C34 C35 C36 1.1(6) 2_756 . . 2_756 ? C35 C36 C37 C32 -0.4(5) 2_756 . . . ? C33 C32 C37 C36 -0.2(5) . . . . ? B1 C32 C37 C36 -176.1(3) . . . . ? C38 C39 C40 C41 1.5(5) 1_545 . . . ? C39 C40 C41 C42 0.3(5) . . . . ? C40 C41 C42 C43 -1.7(5) . . . . ? C41 C42 C43 C38 1.4(5) . . . 1_545 ? C49 C44 C45 C46 -1.4(6) . . . . ? B1 C44 C45 C46 175.7(4) 2_666 . . . ? C44 C45 C46 C47 0.9(7) . . . . ? C45 C46 C47 C48 0.2(8) . . . 1_455 ? C45 C44 C49 C48 0.9(7) . . . 1_455 ? B1 C44 C49 C48 -176.4(5) 2_666 . . 1_455 ? C55 C50 C51 C52 3.4(7) 2_755 . . . ? B1 C50 C51 C52 -176.4(5) 1_554 . . . ? C50 C51 C52 C53 -1.4(9) . . . . ? C51 C52 C53 C54 -1.3(9) . . . 2_755 ? C53 C54 C55 C50 -0.3(8) 2_755 . . 2_755 ? C59 O1 C56 C58 81.6(17) 1_655 . . . ? C59 O1 C56 O2 38.2(17) 1_655 . . . ? O1 C56 O2 C58 79.9(16) . . . . ? C59 C56 O2 C58 99.1(15) 1_655 . . . ? O1 C56 O2 C57 -23.1(13) . . . 1_655 ? C58 C56 O2 C57 -102.9(17) . . . 1_655 ? C59 C56 O2 C57 -3.8(10) 1_655 . . 1_655 ? C57 O2 C58 C56 82.6(13) 1_655 . . . ? O1 C56 C58 O2 -106.5(14) . . . . ? C59 C56 C58 O2 -75.4(13) 1_655 . . . ? O2 C57 C59 O1 21(2) 1_455 . . 1_455 ? O2 C57 C59 C56 -4.9(13) 1_455 . . 1_455 ? _diffrn_measured_fraction_theta_max 0.994 _diffrn_reflns_theta_full 27.48 _diffrn_measured_fraction_theta_full 0.994 _refine_diff_density_max 1.445 _refine_diff_density_min -0.541 _refine_diff_density_rms 0.092 #===END of 7'-BPh4 data_8'-BPh4 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C59 H81 B O Os2 Ru' _chemical_formula_weight 1298.52 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' 'B' 'B' 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Os' 'Os' -1.2165 7.6030 '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' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 10.5705(3) _cell_length_b 14.6098(5) _cell_length_c 17.4238(7) _cell_angle_alpha 85.3210(12) _cell_angle_beta 87.9890(10) _cell_angle_gamma 88.8380(9) _cell_volume 2679.78(16) _cell_formula_units_Z 2 _cell_measurement_temperature 163(2) _cell_measurement_reflns_used 22015 _cell_measurement_theta_min 3.09 _cell_measurement_theta_max 25.33 _exptl_crystal_description platelet _exptl_crystal_colour brown _exptl_crystal_size_max 0.140 _exptl_crystal_size_mid 0.100 _exptl_crystal_size_min 0.020 _exptl_crystal_density_meas 'not measured' _exptl_crystal_density_diffrn 1.609 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1288 _exptl_absorpt_coefficient_mu 5.046 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.6479 _exptl_absorpt_correction_T_max 1.0000 _exptl_absorpt_process_details 'ABSCOR (T.Higashi, 2001)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 163(2) _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'Rigaku Rotating Anode ultraX18' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Rigaku R-AXIS RAPID Imaging Plate' _diffrn_measurement_method 'oscillation photograph' _diffrn_detector_area_resol_mean 100 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 22015 _diffrn_reflns_av_R_equivalents 0.0380 _diffrn_reflns_av_sigmaI/netI 0.0463 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_theta_min 3.09 _diffrn_reflns_theta_max 25.33 _reflns_number_total 9757 _reflns_number_gt 8576 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'PROCESS-AUTO (T.Higashi, 1998)' _computing_cell_refinement 'PROCESS-AUTO (T.Higashi, 1998)' _computing_data_reduction 'PROCESS-AUTO (T.Higashi, 1998)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'ORTEX (P.McArdle, 1995)' _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^)+(0.0487P)^2^+2.3471P] 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 ref _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 9752 _refine_ls_number_parameters 562 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0394 _refine_ls_R_factor_gt 0.0336 _refine_ls_wR_factor_ref 0.0895 _refine_ls_wR_factor_gt 0.0860 _refine_ls_goodness_of_fit_ref 1.033 _refine_ls_restrained_S_all 1.033 _refine_ls_shift/su_max 0.045 _refine_ls_shift/su_mean 0.001 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Os1 Os 0.474508(18) 0.774459(14) 0.327801(11) 0.03266(7) Uani 0.47 1 d P A 1 Ru1 Ru 0.33844(2) 0.816487(16) 0.199551(13) 0.02788(7) Uani 0.47 1 d P A 1 Os2 Os 0.50752(2) 0.673912(15) 0.203519(13) 0.03078(7) Uani 0.47 1 d P A 1 Os2A Os 0.474508(18) 0.774459(14) 0.327801(11) 0.03266(7) Uani 0.36 1 d P A 2 Os1A Os 0.33844(2) 0.816487(16) 0.199551(13) 0.02788(7) Uani 0.36 1 d P A 2 Ru1A Ru 0.50752(2) 0.673912(15) 0.203519(13) 0.03078(7) Uani 0.36 1 d P A 2 Ru1B Ru 0.474508(18) 0.774459(14) 0.327801(11) 0.03266(7) Uani 0.17 1 d P A 3 Os2B Os 0.33844(2) 0.816487(16) 0.199551(13) 0.02788(7) Uani 0.17 1 d P A 3 Os1B Os 0.50752(2) 0.673912(15) 0.203519(13) 0.03078(7) Uani 0.17 1 d P A 3 B1 B 0.2090(5) 0.8040(4) -0.2366(3) 0.0382(12) Uani 1 1 d . . . C1 C 0.2192(4) 0.9407(3) 0.1984(3) 0.0338(10) Uani 1 1 d . . . C2 C 0.3004(4) 0.9431(3) 0.1309(3) 0.0327(10) Uani 1 1 d . A . C3 C 0.2663(4) 0.8696(3) 0.0857(3) 0.0332(10) Uani 1 1 d . . . C4 C 0.1684(4) 0.8197(3) 0.1267(3) 0.0368(11) Uani 1 1 d . A . C5 C 0.1389(4) 0.8630(4) 0.1978(3) 0.0388(11) Uani 1 1 d . A . C6 C 0.2104(5) 1.0119(4) 0.2558(3) 0.0490(13) Uani 1 1 d . A . H6A H 0.1853 0.9828 0.3066 0.073 Uiso 1 1 calc R . . H6B H 0.1473 1.0589 0.2397 0.073 Uiso 1 1 calc R . . H6C H 0.2930 1.0404 0.2587 0.073 Uiso 1 1 calc R . . C7 C 0.3938(5) 1.0174(4) 0.1062(3) 0.0458(13) Uani 1 1 d . . . H7A H 0.4343 1.0377 0.1521 0.055 Uiso 1 1 calc R A . H7B H 0.4609 0.9924 0.0723 0.055 Uiso 1 1 calc R . . C8 C 0.3205(5) 0.8545(4) 0.0071(3) 0.0446(12) Uani 1 1 d . A . H8A H 0.4118 0.8655 0.0054 0.067 Uiso 1 1 calc R . . H8B H 0.2796 0.8971 -0.0313 0.067 Uiso 1 1 calc R . . H8C H 0.3056 0.7912 -0.0045 0.067 Uiso 1 1 calc R . . C9 C 0.1020(5) 0.7387(4) 0.1009(4) 0.0553(15) Uani 1 1 d . . . H9A H 0.0719 0.6998 0.1460 0.083 Uiso 1 1 calc R A . H9B H 0.1609 0.7033 0.0697 0.083 Uiso 1 1 calc R . . H9C H 0.0298 0.7600 0.0700 0.083 Uiso 1 1 calc R . . C10 C 0.0355(5) 0.8354(5) 0.2554(3) 0.0539(15) Uani 1 1 d . . . H10A H 0.0580 0.8524 0.3063 0.081 Uiso 1 1 calc R A . H10B H 0.0245 0.7688 0.2572 0.081 Uiso 1 1 calc R . . H10C H -0.0437 0.8668 0.2403 0.081 Uiso 1 1 calc R . . C11 C 0.4081(5) 0.8327(3) 0.4375(3) 0.0392(11) Uani 1 1 d . . . C12 C 0.4461(6) 0.7361(4) 0.4504(3) 0.0464(13) Uani 1 1 d . A . C13 C 0.5794(6) 0.7296(5) 0.4304(3) 0.0600(18) Uani 1 1 d . . . C14 C 0.6203(6) 0.8183(6) 0.4032(3) 0.069(2) Uani 1 1 d . A . C15 C 0.5155(6) 0.8816(4) 0.4086(3) 0.0545(15) Uani 1 1 d . A . C16 C 0.2837(6) 0.8728(5) 0.4570(4) 0.0662(18) Uani 1 1 d . A . H16A H 0.2170 0.8312 0.4448 0.099 Uiso 1 1 calc R . . H16B H 0.2727 0.9321 0.4270 0.099 Uiso 1 1 calc R . . H16C H 0.2783 0.8821 0.5121 0.099 Uiso 1 1 calc R . . C17 C 0.3633(8) 0.6612(4) 0.4869(4) 0.074(2) Uani 1 1 d . . . H17A H 0.2742 0.6787 0.4799 0.111 Uiso 1 1 calc R A . H17B H 0.3794 0.6520 0.5421 0.111 Uiso 1 1 calc R . . H17C H 0.3821 0.6041 0.4626 0.111 Uiso 1 1 calc R . . C18 C 0.6598(9) 0.6422(7) 0.4458(4) 0.110(4) Uani 1 1 d . A . H18A H 0.7276 0.6402 0.4062 0.165 Uiso 1 1 calc R . . H18B H 0.6063 0.5883 0.4446 0.165 Uiso 1 1 calc R . . H18C H 0.6969 0.6421 0.4966 0.165 Uiso 1 1 calc R . . C19 C 0.7541(7) 0.8435(10) 0.3761(5) 0.140(5) Uani 1 1 d . . . H19A H 0.7855 0.8903 0.4075 0.211 Uiso 1 1 calc R A . H19B H 0.7539 0.8677 0.3219 0.211 Uiso 1 1 calc R . . H19C H 0.8092 0.7887 0.3812 0.211 Uiso 1 1 calc R . . C20 C 0.5196(10) 0.9848(5) 0.3901(4) 0.104(3) Uani 1 1 d . . . H20A H 0.5855 0.9994 0.3503 0.156 Uiso 1 1 calc R A . H20B H 0.5386 1.0145 0.4367 0.156 Uiso 1 1 calc R . . H20C H 0.4373 1.0073 0.3714 0.156 Uiso 1 1 calc R . . C21 C 0.6845(5) 0.5895(4) 0.1903(4) 0.0556(16) Uani 1 1 d . . . C22 C 0.5849(6) 0.5307(4) 0.2157(3) 0.0485(13) Uani 1 1 d . A . C23 C 0.4888(5) 0.5385(3) 0.1602(3) 0.0427(12) Uani 1 1 d . . . C24 C 0.5302(5) 0.6022(3) 0.0985(3) 0.0407(12) Uani 1 1 d . A . C25 C 0.6493(6) 0.6352(4) 0.1190(4) 0.0550(15) Uani 1 1 d . A . C26 C 0.8060(7) 0.5993(8) 0.2293(6) 0.117(4) Uani 1 1 d . A . H26A H 0.8316 0.6637 0.2230 0.175 Uiso 1 1 calc R . . H26B H 0.8716 0.5608 0.2062 0.175 Uiso 1 1 calc R . . H26C H 0.7948 0.5800 0.2842 0.175 Uiso 1 1 calc R . . C27 C 0.5817(9) 0.4640(5) 0.2869(4) 0.090(3) Uani 1 1 d . . . H27A H 0.4984 0.4674 0.3132 0.136 Uiso 1 1 calc R A . H27B H 0.6472 0.4798 0.3218 0.136 Uiso 1 1 calc R . . H27C H 0.5974 0.4014 0.2720 0.136 Uiso 1 1 calc R . . C28 C 0.3696(6) 0.4830(5) 0.1626(5) 0.075(2) Uani 1 1 d . A . H28A H 0.3338 0.4770 0.2154 0.112 Uiso 1 1 calc R . . H28B H 0.3898 0.4218 0.1458 0.112 Uiso 1 1 calc R . . H28C H 0.3080 0.5140 0.1282 0.112 Uiso 1 1 calc R . . C29 C 0.4672(8) 0.6240(5) 0.0226(4) 0.074(2) Uani 1 1 d . . . H29A H 0.4897 0.6860 0.0016 0.111 Uiso 1 1 calc R A . H29B H 0.3752 0.6205 0.0305 0.111 Uiso 1 1 calc R . . H29C H 0.4960 0.5795 -0.0137 0.111 Uiso 1 1 calc R . . C30 C 0.7332(8) 0.7019(6) 0.0694(5) 0.098(3) Uani 1 1 d . . . H30A H 0.6810 0.7526 0.0467 0.147 Uiso 1 1 calc R A . H30B H 0.7757 0.6697 0.0283 0.147 Uiso 1 1 calc R . . H30C H 0.7968 0.7264 0.1015 0.147 Uiso 1 1 calc R . . C31 C 0.1879(4) 0.8934(4) -0.1852(3) 0.0364(11) Uani 1 1 d . . . C32 C 0.0797(5) 0.9052(4) -0.1377(3) 0.0441(13) Uani 1 1 d . . . H32 H 0.0192 0.8577 -0.1324 0.053 Uiso 1 1 calc R . . C33 C -0.0567(5) 1.0171(4) 0.0981(3) 0.0489(13) Uani 1 1 d . . . H33 H 0.0195 1.0116 0.0681 0.059 Uiso 1 1 calc R . . C34 C -0.1445(5) 0.9477(4) 0.1022(3) 0.0500(14) Uani 1 1 d . . . H34 H -0.1308 0.8955 0.0737 0.060 Uiso 1 1 calc R . . C35 C 0.2519(5) 1.0444(4) -0.1481(3) 0.0460(13) Uani 1 1 d . . . H35 H 0.3123 1.0920 -0.1522 0.055 Uiso 1 1 calc R . . C36 C 0.2726(5) 0.9669(3) -0.1885(3) 0.0368(11) Uani 1 1 d . . . H36 H 0.3476 0.9634 -0.2199 0.044 Uiso 1 1 calc R . . C37 C 0.3618(5) 0.7892(3) -0.2573(3) 0.0368(11) Uani 1 1 d . . . C38 C 0.5468(5) 1.2162(4) 0.2007(3) 0.0450(12) Uani 1 1 d . . . H38 H 0.5741 1.2103 0.1488 0.054 Uiso 1 1 calc R . . C39 C 0.4186(5) 1.2296(4) 0.2165(4) 0.0518(14) Uani 1 1 d . . . H39 H 0.3612 1.2347 0.1756 0.062 Uiso 1 1 calc R . . C40 C 0.3734(6) 1.2356(4) 0.2919(4) 0.0571(16) Uani 1 1 d . . . H40 H 0.2856 1.2445 0.3032 0.069 Uiso 1 1 calc R . . C41 C 0.4597(6) 1.2281(4) 0.3498(4) 0.0529(14) Uani 1 1 d . . . H41 H 0.4313 1.2310 0.4019 0.063 Uiso 1 1 calc R . . C42 C 0.5886(5) 1.2164(4) 0.3323(3) 0.0445(12) Uani 1 1 d . . . H42 H 0.6456 1.2119 0.3735 0.053 Uiso 1 1 calc R . . C43 C 0.1475(5) 0.7134(4) -0.1867(3) 0.0475(13) Uani 1 1 d . . . C44 C -0.0174(6) 1.3043(5) 0.1885(4) 0.0696(19) Uani 1 1 d . . . H44 H 0.0338 1.2655 0.2216 0.084 Uiso 1 1 calc R . . C45 C 0.0385(8) 1.3755(6) 0.1442(5) 0.091(3) Uani 1 1 d . . . H45 H 0.1273 1.3833 0.1463 0.110 Uiso 1 1 calc R . . C46 C 0.0307(8) 0.5645(5) -0.0973(4) 0.082(2) Uani 1 1 d . . . H46 H -0.0086 0.5148 -0.0676 0.098 Uiso 1 1 calc R . . C47 C 0.1576(8) 0.5781(4) -0.0942(4) 0.0678(18) Uani 1 1 d . . . H47 H 0.2074 0.5374 -0.0618 0.081 Uiso 1 1 calc R . . C48 C 0.2156(6) 0.6511(4) -0.1382(3) 0.0483(13) Uani 1 1 d . . . H48 H 0.3043 0.6585 -0.1349 0.058 Uiso 1 1 calc R . . C49 C -0.1302(5) 1.1761(4) 0.3168(3) 0.0486(14) Uani 1 1 d . . . C50 C -0.0860(5) 1.0898(5) 0.3428(3) 0.0616(18) Uani 1 1 d . . . H50 H -0.1058 1.0387 0.3153 0.074 Uiso 1 1 calc R . . C51 C -0.0132(7) 1.0753(7) 0.4083(4) 0.090(3) Uani 1 1 d . . . H51 H 0.0155 1.0151 0.4248 0.107 Uiso 1 1 calc R . . C52 C 0.0172(8) 1.1491(11) 0.4493(5) 0.119(4) Uani 1 1 d . . . H52 H 0.0690 1.1400 0.4929 0.142 Uiso 1 1 calc R . . C53 C -0.0278(9) 1.2343(9) 0.4267(4) 0.107(4) Uani 1 1 d . . . H53 H -0.0088 1.2846 0.4553 0.129 Uiso 1 1 calc R . . C54 C -0.1023(7) 1.2492(6) 0.3613(4) 0.078(2) Uani 1 1 d . . . H54 H -0.1343 1.3091 0.3470 0.094 Uiso 1 1 calc R . . C55 C 0.3304(10) 1.0967(8) 0.0646(7) 0.043(2) Uiso 0.47 1 d P A . H55A H 0.3868 1.1494 0.0606 0.064 Uiso 0.47 1 calc PR . . H55B H 0.2522 1.1123 0.0928 0.064 Uiso 0.47 1 calc PR . . H55C H 0.3103 1.0810 0.0129 0.064 Uiso 0.47 1 calc PR . . C59 C 0.1482(17) 0.5753(14) 0.3255(11) 0.190(6) Uiso 1 1 d . . . C56 C 1.0296(18) 0.6010(14) 0.3750(12) 0.194(7) Uiso 1 1 d . . . C57 C 0.038(4) 1.518(3) 0.443(2) 0.39(2) Uiso 1 1 d . . . C58 C -0.020(3) 0.492(3) 0.379(2) 0.349(17) Uiso 1 1 d . . . O1 O 0.147(2) 0.4699(16) 0.3523(13) 0.355(10) Uiso 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 Os1 0.03713(12) 0.03766(13) 0.02292(11) -0.00155(8) -0.00171(8) 0.00346(9) Ru1 0.02877(12) 0.02933(14) 0.02546(13) -0.00228(9) -0.00121(9) 0.00238(9) Os2 0.03360(13) 0.02620(13) 0.03240(13) -0.00286(9) -0.00007(9) 0.00324(9) Os2A 0.03713(12) 0.03766(13) 0.02292(11) -0.00155(8) -0.00171(8) 0.00346(9) Os1A 0.02877(12) 0.02933(14) 0.02546(13) -0.00228(9) -0.00121(9) 0.00238(9) Ru1A 0.03360(13) 0.02620(13) 0.03240(13) -0.00286(9) -0.00007(9) 0.00324(9) Ru1B 0.03713(12) 0.03766(13) 0.02292(11) -0.00155(8) -0.00171(8) 0.00346(9) Os2B 0.02877(12) 0.02933(14) 0.02546(13) -0.00228(9) -0.00121(9) 0.00238(9) Os1B 0.03360(13) 0.02620(13) 0.03240(13) -0.00286(9) -0.00007(9) 0.00324(9) B1 0.042(3) 0.045(3) 0.028(3) 0.000(2) -0.004(2) -0.010(2) C1 0.034(2) 0.032(3) 0.035(3) -0.005(2) -0.0038(19) 0.0090(19) C2 0.035(2) 0.028(2) 0.035(3) 0.0029(19) -0.0060(19) 0.0058(19) C3 0.034(2) 0.035(3) 0.031(2) -0.001(2) -0.0093(19) 0.0059(19) C4 0.027(2) 0.041(3) 0.043(3) -0.006(2) -0.007(2) 0.0034(19) C5 0.029(2) 0.048(3) 0.038(3) 0.001(2) -0.001(2) 0.004(2) C6 0.053(3) 0.047(3) 0.048(3) -0.015(3) -0.004(3) 0.018(3) C7 0.044(3) 0.035(3) 0.057(3) 0.004(2) -0.001(2) -0.004(2) C8 0.056(3) 0.049(3) 0.028(3) -0.002(2) -0.004(2) 0.008(2) C9 0.041(3) 0.052(3) 0.076(4) -0.015(3) -0.016(3) -0.007(2) C10 0.036(3) 0.078(4) 0.047(3) 0.001(3) 0.007(2) -0.001(3) C11 0.056(3) 0.038(3) 0.023(2) -0.003(2) -0.003(2) 0.007(2) C12 0.071(4) 0.048(3) 0.019(2) 0.004(2) 0.002(2) 0.005(3) C13 0.067(4) 0.087(5) 0.025(3) -0.003(3) -0.015(3) 0.031(3) C14 0.055(4) 0.123(7) 0.030(3) -0.009(4) -0.015(3) -0.024(4) C15 0.084(4) 0.059(4) 0.022(3) -0.006(2) -0.004(3) -0.019(3) C16 0.084(4) 0.074(5) 0.039(3) -0.010(3) 0.004(3) 0.031(4) C17 0.132(6) 0.043(4) 0.045(4) 0.000(3) 0.012(4) -0.018(4) C18 0.132(7) 0.145(8) 0.051(4) -0.006(5) -0.023(4) 0.096(7) C19 0.058(5) 0.313(17) 0.054(5) -0.021(7) -0.007(4) -0.066(7) C20 0.211(10) 0.066(5) 0.037(4) -0.004(3) -0.012(5) -0.071(6) C21 0.046(3) 0.050(4) 0.074(4) -0.029(3) -0.006(3) 0.017(3) C22 0.065(3) 0.032(3) 0.048(3) -0.007(2) 0.000(3) 0.019(2) C23 0.042(3) 0.031(3) 0.056(3) -0.012(2) 0.000(2) 0.006(2) C24 0.056(3) 0.028(3) 0.038(3) -0.008(2) 0.001(2) 0.011(2) C25 0.056(3) 0.042(3) 0.068(4) -0.021(3) 0.025(3) 0.000(3) C26 0.054(4) 0.172(10) 0.140(8) -0.107(8) -0.031(5) 0.040(5) C27 0.160(8) 0.049(4) 0.059(4) 0.002(3) -0.007(5) 0.045(5) C28 0.067(4) 0.054(4) 0.107(6) -0.029(4) 0.018(4) -0.021(3) C29 0.120(6) 0.061(4) 0.043(4) -0.024(3) -0.019(4) 0.033(4) C30 0.106(6) 0.082(6) 0.106(7) -0.029(5) 0.064(5) -0.032(5) C31 0.039(2) 0.047(3) 0.023(2) 0.004(2) -0.0091(19) 0.003(2) C32 0.037(3) 0.058(3) 0.036(3) 0.008(2) -0.006(2) -0.001(2) C33 0.039(3) 0.064(4) 0.043(3) -0.002(3) -0.003(2) 0.010(3) C34 0.049(3) 0.048(3) 0.053(3) -0.011(3) -0.006(3) 0.021(3) C35 0.051(3) 0.038(3) 0.048(3) 0.002(2) -0.006(2) 0.004(2) C36 0.043(3) 0.038(3) 0.029(2) 0.000(2) -0.003(2) 0.002(2) C37 0.051(3) 0.023(2) 0.037(3) -0.003(2) -0.005(2) -0.003(2) C38 0.055(3) 0.038(3) 0.044(3) -0.010(2) -0.011(2) -0.003(2) C39 0.051(3) 0.043(3) 0.063(4) -0.012(3) -0.015(3) 0.004(2) C40 0.054(3) 0.036(3) 0.083(5) -0.020(3) 0.003(3) 0.001(2) C41 0.064(4) 0.043(3) 0.052(4) -0.011(3) 0.011(3) -0.001(3) C42 0.060(3) 0.036(3) 0.038(3) -0.002(2) 0.000(2) -0.006(2) C43 0.061(3) 0.049(3) 0.033(3) -0.006(2) -0.001(2) -0.019(3) C44 0.067(4) 0.078(5) 0.063(4) 0.011(4) -0.009(3) -0.037(4) C45 0.087(5) 0.111(7) 0.076(5) 0.007(5) -0.004(4) -0.059(5) C46 0.113(6) 0.072(5) 0.058(4) 0.008(4) 0.008(4) -0.050(5) C47 0.114(6) 0.043(4) 0.046(4) -0.002(3) 0.007(4) -0.013(4) C48 0.072(4) 0.038(3) 0.036(3) -0.007(2) 0.000(3) -0.009(3) C49 0.043(3) 0.076(4) 0.028(3) -0.004(3) -0.003(2) -0.013(3) C50 0.042(3) 0.112(6) 0.029(3) -0.002(3) -0.001(2) 0.026(3) C51 0.068(4) 0.165(9) 0.032(3) 0.001(4) -0.004(3) 0.049(5) C52 0.059(5) 0.249(15) 0.048(5) -0.008(7) -0.025(4) 0.011(7) C53 0.096(6) 0.187(11) 0.045(4) -0.026(6) -0.015(4) -0.058(7) C54 0.085(5) 0.107(6) 0.048(4) -0.015(4) -0.015(3) -0.036(4) _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 Os1 C12 2.175(5) . ? Os1 C13 2.185(5) . ? Os1 C14 2.198(5) . ? Os1 C11 2.239(5) . ? Os1 C15 2.246(6) . ? Os1 Ru1 2.7212(3) . ? Os1 Os2 2.7229(3) . ? Ru1 C2 2.158(4) . ? Ru1 C1 2.188(4) . ? Ru1 C5 2.204(4) . ? Ru1 C3 2.225(4) . ? Ru1 C4 2.234(4) . ? Ru1 Os2 2.7152(3) . ? Os2 C25 2.164(5) . ? Os2 C24 2.185(5) . ? Os2 C23 2.189(5) . ? Os2 C22 2.228(5) . ? Os2 C21 2.236(5) . ? B1 C31 1.650(8) . ? B1 C49 1.654(7) 2_575 ? B1 C43 1.654(8) . ? B1 C37 1.656(7) . ? C1 C2 1.430(7) . ? C1 C5 1.432(7) . ? C1 C6 1.500(7) . ? C2 C3 1.442(7) . ? C2 C7 1.508(7) . ? C3 C4 1.417(7) . ? C3 C8 1.497(7) . ? C4 C5 1.457(7) . ? C4 C9 1.496(7) . ? C5 C10 1.496(7) . ? C7 C55 1.477(11) . ? C11 C15 1.409(8) . ? C11 C12 1.461(7) . ? C11 C16 1.470(7) . ? C12 C13 1.442(8) . ? C12 C17 1.502(8) . ? C13 C14 1.413(10) . ? C13 C18 1.530(9) . ? C14 C15 1.434(10) . ? C14 C19 1.519(9) . ? C15 C20 1.518(9) . ? C21 C22 1.409(9) . ? C21 C25 1.420(9) . ? C21 C26 1.488(9) . ? C22 C23 1.423(8) . ? C22 C27 1.514(8) . ? C23 C24 1.426(7) . ? C23 C28 1.510(8) . ? C24 C25 1.424(8) . ? C24 C29 1.510(8) . ? C25 C30 1.525(9) . ? C31 C32 1.405(7) . ? C31 C36 1.408(7) . ? C32 C33 1.388(8) 2_575 ? C33 C34 1.385(8) . ? C33 C32 1.388(8) 2_575 ? C34 C35 1.374(8) 2_575 ? C35 C34 1.374(8) 2_575 ? C35 C36 1.391(7) . ? C37 C42 1.399(7) 2_675 ? C37 C38 1.402(7) 2_675 ? C38 C39 1.386(8) . ? C38 C37 1.402(7) 2_675 ? C39 C40 1.390(9) . ? C40 C41 1.381(9) . ? C41 C42 1.396(8) . ? C42 C37 1.399(7) 2_675 ? C43 C48 1.398(8) . ? C43 C44 1.407(8) 2_575 ? C44 C45 1.374(10) . ? C44 C43 1.407(8) 2_575 ? C45 C46 1.368(11) 2_575 ? C46 C47 1.364(10) . ? C46 C45 1.368(11) 2_575 ? C47 C48 1.400(8) . ? C49 C50 1.383(9) . ? C49 C54 1.411(9) . ? C49 B1 1.654(7) 2_575 ? C50 C51 1.398(8) . ? C51 C52 1.391(15) . ? C52 C53 1.356(16) . ? C53 C54 1.407(11) . ? C59 C56 1.55(2) 1_455 ? C59 O1 1.57(2) . ? C56 C59 1.55(2) 1_655 ? C56 C57 1.62(4) 1_645 ? C56 C58 1.68(4) 1_655 ? C57 C58 1.37(4) 1_565 ? C57 C56 1.62(4) 1_465 ? C58 C57 1.37(4) 1_545 ? C58 C56 1.68(4) 1_455 ? C58 O1 1.84(4) . ? 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 C12 Os1 C13 38.6(2) . . ? C12 Os1 C14 63.7(2) . . ? C13 Os1 C14 37.6(3) . . ? C12 Os1 C11 38.63(19) . . ? C13 Os1 C11 63.8(2) . . ? C14 Os1 C11 62.7(2) . . ? C12 Os1 C15 63.1(2) . . ? C13 Os1 C15 62.9(2) . . ? C14 Os1 C15 37.6(3) . . ? C11 Os1 C15 36.6(2) . . ? C12 Os1 Ru1 140.20(15) . . ? C13 Os1 Ru1 175.5(2) . . ? C14 Os1 Ru1 146.7(2) . . ? C11 Os1 Ru1 118.13(12) . . ? C15 Os1 Ru1 121.19(16) . . ? C12 Os1 Os2 132.59(15) . . ? C13 Os1 Os2 117.21(17) . . ? C14 Os1 Os2 127.7(2) . . ? C11 Os1 Os2 165.68(14) . . ? C15 Os1 Os2 157.66(16) . . ? Ru1 Os1 Os2 59.833(8) . . ? C2 Ru1 C1 38.42(18) . . ? C2 Ru1 C5 64.10(18) . . ? C1 Ru1 C5 38.06(19) . . ? C2 Ru1 C3 38.36(18) . . ? C1 Ru1 C3 63.76(17) . . ? C5 Ru1 C3 63.49(18) . . ? C2 Ru1 C4 63.41(18) . . ? C1 Ru1 C4 63.53(18) . . ? C5 Ru1 C4 38.33(18) . . ? C3 Ru1 C4 37.06(18) . . ? C2 Ru1 Os2 139.16(12) . . ? C1 Ru1 Os2 173.88(13) . . ? C5 Ru1 Os2 147.98(14) . . ? C3 Ru1 Os2 118.03(12) . . ? C4 Ru1 Os2 121.72(13) . . ? C2 Ru1 Os1 133.25(13) . . ? C1 Ru1 Os1 116.65(13) . . ? C5 Ru1 Os1 125.89(13) . . ? C3 Ru1 Os1 166.75(12) . . ? C4 Ru1 Os1 156.12(13) . . ? Os2 Ru1 Os1 60.113(8) . . ? C25 Os2 C24 38.2(2) . . ? C25 Os2 C23 63.4(2) . . ? C24 Os2 C23 38.1(2) . . ? C25 Os2 C22 62.4(2) . . ? C24 Os2 C22 62.94(19) . . ? C23 Os2 C22 37.6(2) . . ? C25 Os2 C21 37.6(2) . . ? C24 Os2 C21 63.3(2) . . ? C23 Os2 C21 62.8(2) . . ? C22 Os2 C21 36.8(2) . . ? C25 Os2 Ru1 130.68(18) . . ? C24 Os2 Ru1 116.26(13) . . ? C23 Os2 Ru1 128.76(13) . . ? C22 Os2 Ru1 160.23(16) . . ? C21 Os2 Ru1 162.71(18) . . ? C25 Os2 Os1 141.95(17) . . ? C24 Os2 Os1 175.81(13) . . ? C23 Os2 Os1 145.44(15) . . ? C22 Os2 Os1 121.23(15) . . ? C21 Os2 Os1 119.52(16) . . ? Ru1 Os2 Os1 60.054(8) . . ? C31 B1 C49 108.2(4) . 2_575 ? C31 B1 C43 108.1(4) . . ? C49 B1 C43 108.4(4) 2_575 . ? C31 B1 C37 109.7(4) . . ? C49 B1 C37 110.1(4) 2_575 . ? C43 B1 C37 112.3(4) . . ? C2 C1 C5 108.0(4) . . ? C2 C1 C6 126.1(5) . . ? C5 C1 C6 125.6(5) . . ? C2 C1 Ru1 69.7(2) . . ? C5 C1 Ru1 71.6(3) . . ? C6 C1 Ru1 128.8(3) . . ? C1 C2 C3 108.5(4) . . ? C1 C2 C7 125.5(5) . . ? C3 C2 C7 125.6(4) . . ? C1 C2 Ru1 71.9(3) . . ? C3 C2 Ru1 73.3(2) . . ? C7 C2 Ru1 126.7(3) . . ? C4 C3 C2 107.8(4) . . ? C4 C3 C8 127.3(5) . . ? C2 C3 C8 124.9(5) . . ? C4 C3 Ru1 71.8(3) . . ? C2 C3 Ru1 68.3(2) . . ? C8 C3 Ru1 128.4(3) . . ? C3 C4 C5 108.3(4) . . ? C3 C4 C9 126.4(5) . . ? C5 C4 C9 125.2(5) . . ? C3 C4 Ru1 71.1(3) . . ? C5 C4 Ru1 69.7(3) . . ? C9 C4 Ru1 126.7(4) . . ? C1 C5 C4 107.4(4) . . ? C1 C5 C10 126.9(5) . . ? C4 C5 C10 125.6(5) . . ? C1 C5 Ru1 70.4(2) . . ? C4 C5 Ru1 72.0(2) . . ? C10 C5 Ru1 127.0(4) . . ? C55 C7 C2 110.9(6) . . ? C15 C11 C12 107.5(5) . . ? C15 C11 C16 126.0(5) . . ? C12 C11 C16 126.3(5) . . ? C15 C11 Os1 72.0(3) . . ? C12 C11 Os1 68.3(3) . . ? C16 C11 Os1 128.7(4) . . ? C13 C12 C11 107.3(5) . . ? C13 C12 C17 127.3(6) . . ? C11 C12 C17 125.0(5) . . ? C13 C12 Os1 71.1(3) . . ? C11 C12 Os1 73.1(3) . . ? C17 C12 Os1 126.9(4) . . ? C14 C13 C12 107.8(5) . . ? C14 C13 C18 128.2(7) . . ? C12 C13 C18 123.7(7) . . ? C14 C13 Os1 71.7(3) . . ? C12 C13 Os1 70.3(3) . . ? C18 C13 Os1 128.5(5) . . ? C13 C14 C15 108.7(5) . . ? C13 C14 C19 125.9(9) . . ? C15 C14 C19 125.4(9) . . ? C13 C14 Os1 70.7(3) . . ? C15 C14 Os1 73.0(3) . . ? C19 C14 Os1 124.2(5) . . ? C11 C15 C14 108.7(5) . . ? C11 C15 C20 125.1(7) . . ? C14 C15 C20 126.2(7) . . ? C11 C15 Os1 71.4(3) . . ? C14 C15 Os1 69.3(3) . . ? C20 C15 Os1 127.4(4) . . ? C22 C21 C25 107.1(5) . . ? C22 C21 C26 126.5(8) . . ? C25 C21 C26 126.3(8) . . ? C22 C21 Os2 71.3(3) . . ? C25 C21 Os2 68.5(3) . . ? C26 C21 Os2 127.1(4) . . ? C21 C22 C23 108.9(5) . . ? C21 C22 C27 126.7(6) . . ? C23 C22 C27 124.2(6) . . ? C21 C22 Os2 71.9(3) . . ? C23 C22 Os2 69.7(3) . . ? C27 C22 Os2 127.8(4) . . ? C22 C23 C24 107.9(5) . . ? C22 C23 C28 126.1(6) . . ? C24 C23 C28 125.8(6) . . ? C22 C23 Os2 72.7(3) . . ? C24 C23 Os2 70.8(3) . . ? C28 C23 Os2 126.2(4) . . ? C25 C24 C23 106.8(5) . . ? C25 C24 C29 126.0(6) . . ? C23 C24 C29 126.9(6) . . ? C25 C24 Os2 70.1(3) . . ? C23 C24 Os2 71.1(3) . . ? C29 C24 Os2 128.3(4) . . ? C21 C25 C24 109.2(5) . . ? C21 C25 C30 124.4(7) . . ? C24 C25 C30 126.1(7) . . ? C21 C25 Os2 73.9(3) . . ? C24 C25 Os2 71.7(3) . . ? C30 C25 Os2 125.1(4) . . ? C32 C31 C36 114.1(5) . . ? C32 C31 B1 122.6(5) . . ? C36 C31 B1 123.2(4) . . ? C33 C32 C31 123.3(5) 2_575 . ? C34 C33 C32 120.1(5) . 2_575 ? C35 C34 C33 118.9(5) 2_575 . ? C34 C35 C36 120.2(5) 2_575 . ? C35 C36 C31 123.2(5) . . ? C42 C37 C38 114.1(5) 2_675 2_675 ? C42 C37 B1 123.4(4) 2_675 . ? C38 C37 B1 122.4(5) 2_675 . ? C39 C38 C37 123.5(5) . 2_675 ? C38 C39 C40 120.5(5) . . ? C41 C40 C39 118.1(5) . . ? C40 C41 C42 120.4(6) . . ? C41 C42 C37 123.4(5) . 2_675 ? C48 C43 C44 114.5(5) . 2_575 ? C48 C43 B1 124.6(5) . . ? C44 C43 B1 120.9(5) 2_575 . ? C45 C44 C43 122.5(7) . 2_575 ? C46 C45 C44 121.6(7) 2_575 . ? C47 C46 C45 118.1(6) . 2_575 ? C46 C47 C48 121.0(7) . . ? C43 C48 C47 122.3(6) . . ? C50 C49 C54 116.7(6) . . ? C50 C49 B1 123.0(5) . 2_575 ? C54 C49 B1 120.2(6) . 2_575 ? C49 C50 C51 122.1(7) . . ? C52 C51 C50 120.0(8) . . ? C53 C52 C51 119.4(7) . . ? C52 C53 C54 121.0(9) . . ? C53 C54 C49 120.8(9) . . ? C56 C59 O1 95.5(16) 1_455 . ? C59 C56 C57 99.0(19) 1_655 1_645 ? C59 C56 C58 90.5(17) 1_655 1_655 ? C57 C56 C58 49.0(17) 1_645 1_655 ? C58 C57 C56 68(2) 1_565 1_465 ? C57 C58 C56 63(2) 1_545 1_455 ? C57 C58 O1 80(3) 1_545 . ? C56 C58 O1 82.2(19) 1_455 . ? C59 O1 C58 84.5(18) . . ? 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 C12 Os1 Ru1 C2 107.2(3) . . . . ? C13 Os1 Ru1 C2 179(32) . . . . ? C14 Os1 Ru1 C2 -17.3(4) . . . . ? C11 Os1 Ru1 C2 65.1(2) . . . . ? C15 Os1 Ru1 C2 22.9(3) . . . . ? Os2 Os1 Ru1 C2 -131.10(17) . . . . ? C12 Os1 Ru1 C1 64.2(3) . . . . ? C13 Os1 Ru1 C1 136(2) . . . . ? C14 Os1 Ru1 C1 -60.3(4) . . . . ? C11 Os1 Ru1 C1 22.1(2) . . . . ? C15 Os1 Ru1 C1 -20.1(2) . . . . ? Os2 Os1 Ru1 C1 -174.10(14) . . . . ? C12 Os1 Ru1 C5 20.6(3) . . . . ? C13 Os1 Ru1 C5 93(2) . . . . ? C14 Os1 Ru1 C5 -103.9(4) . . . . ? C11 Os1 Ru1 C5 -21.5(2) . . . . ? C15 Os1 Ru1 C5 -63.7(3) . . . . ? Os2 Os1 Ru1 C5 142.30(17) . . . . ? C12 Os1 Ru1 C3 152.7(6) . . . . ? C13 Os1 Ru1 C3 -135(2) . . . . ? C14 Os1 Ru1 C3 28.2(6) . . . . ? C11 Os1 Ru1 C3 110.6(6) . . . . ? C15 Os1 Ru1 C3 68.3(6) . . . . ? Os2 Os1 Ru1 C3 -85.7(5) . . . . ? C12 Os1 Ru1 C4 -20.1(4) . . . . ? C13 Os1 Ru1 C4 52(2) . . . . ? C14 Os1 Ru1 C4 -144.6(5) . . . . ? C11 Os1 Ru1 C4 -62.2(4) . . . . ? C15 Os1 Ru1 C4 -104.5(4) . . . . ? Os2 Os1 Ru1 C4 101.5(3) . . . . ? C12 Os1 Ru1 Os2 -121.7(2) . . . . ? C13 Os1 Ru1 Os2 -50(2) . . . . ? C14 Os1 Ru1 Os2 113.8(4) . . . . ? C11 Os1 Ru1 Os2 -163.75(16) . . . . ? C15 Os1 Ru1 Os2 153.99(19) . . . . ? C2 Ru1 Os2 C25 -11.8(3) . . . . ? C1 Ru1 Os2 C25 -75.2(12) . . . . ? C5 Ru1 Os2 C25 114.4(3) . . . . ? C3 Ru1 Os2 C25 30.3(3) . . . . ? C4 Ru1 Os2 C25 73.1(3) . . . . ? Os1 Ru1 Os2 C25 -134.7(2) . . . . ? C2 Ru1 Os2 C24 -54.8(3) . . . . ? C1 Ru1 Os2 C24 -118.2(12) . . . . ? C5 Ru1 Os2 C24 71.4(3) . . . . ? C3 Ru1 Os2 C24 -12.7(2) . . . . ? C4 Ru1 Os2 C24 30.1(2) . . . . ? Os1 Ru1 Os2 C24 -177.72(16) . . . . ? C2 Ru1 Os2 C23 -97.9(3) . . . . ? C1 Ru1 Os2 C23 -161.4(12) . . . . ? C5 Ru1 Os2 C23 28.3(3) . . . . ? C3 Ru1 Os2 C23 -55.9(2) . . . . ? C4 Ru1 Os2 C23 -13.1(2) . . . . ? Os1 Ru1 Os2 C23 139.14(19) . . . . ? C2 Ru1 Os2 C22 -137.5(5) . . . . ? C1 Ru1 Os2 C22 159.1(12) . . . . ? C5 Ru1 Os2 C22 -11.3(5) . . . . ? C3 Ru1 Os2 C22 -95.4(5) . . . . ? C4 Ru1 Os2 C22 -52.6(5) . . . . ? Os1 Ru1 Os2 C22 99.6(4) . . . . ? C2 Ru1 Os2 C21 29.3(6) . . . . ? C1 Ru1 Os2 C21 -34.1(13) . . . . ? C5 Ru1 Os2 C21 155.5(6) . . . . ? C3 Ru1 Os2 C21 71.4(6) . . . . ? C4 Ru1 Os2 C21 114.2(6) . . . . ? Os1 Ru1 Os2 C21 -93.6(6) . . . . ? C2 Ru1 Os2 Os1 122.9(2) . . . . ? C1 Ru1 Os2 Os1 59.5(12) . . . . ? C5 Ru1 Os2 Os1 -110.9(2) . . . . ? C3 Ru1 Os2 Os1 164.99(14) . . . . ? C4 Ru1 Os2 Os1 -152.21(15) . . . . ? C12 Os1 Os2 C25 -108.8(4) . . . . ? C13 Os1 Os2 C25 -64.8(4) . . . . ? C14 Os1 Os2 C25 -21.6(4) . . . . ? C11 Os1 Os2 C25 -155.2(6) . . . . ? C15 Os1 Os2 C25 19.7(5) . . . . ? Ru1 Os1 Os2 C25 119.0(3) . . . . ? C12 Os1 Os2 C24 161(2) . . . . ? C13 Os1 Os2 C24 -155(2) . . . . ? C14 Os1 Os2 C24 -111(2) . . . . ? C11 Os1 Os2 C24 115(2) . . . . ? C15 Os1 Os2 C24 -70(2) . . . . ? Ru1 Os1 Os2 C24 29(2) . . . . ? C12 Os1 Os2 C23 16.3(3) . . . . ? C13 Os1 Os2 C23 60.2(3) . . . . ? C14 Os1 Os2 C23 103.5(4) . . . . ? C11 Os1 Os2 C23 -30.1(5) . . . . ? C15 Os1 Os2 C23 144.8(5) . . . . ? Ru1 Os1 Os2 C23 -115.9(2) . . . . ? C12 Os1 Os2 C22 -24.8(3) . . . . ? C13 Os1 Os2 C22 19.1(3) . . . . ? C14 Os1 Os2 C22 62.4(3) . . . . ? C11 Os1 Os2 C22 -71.2(5) . . . . ? C15 Os1 Os2 C22 103.7(5) . . . . ? Ru1 Os1 Os2 C22 -157.04(19) . . . . ? C12 Os1 Os2 C21 -67.7(3) . . . . ? C13 Os1 Os2 C21 -23.7(3) . . . . ? C14 Os1 Os2 C21 19.5(3) . . . . ? C11 Os1 Os2 C21 -114.1(5) . . . . ? C15 Os1 Os2 C21 60.8(5) . . . . ? Ru1 Os1 Os2 C21 160.1(2) . . . . ? C12 Os1 Os2 Ru1 132.3(2) . . . . ? C13 Os1 Os2 Ru1 176.2(2) . . . . ? C14 Os1 Os2 Ru1 -140.6(3) . . . . ? C11 Os1 Os2 Ru1 85.8(5) . . . . ? C15 Os1 Os2 Ru1 -99.3(4) . . . . ? C5 Ru1 C1 C2 -118.0(4) . . . . ? C3 Ru1 C1 C2 -38.3(3) . . . . ? C4 Ru1 C1 C2 -79.8(3) . . . . ? Os2 Ru1 C1 C2 70.2(13) . . . . ? Os1 Ru1 C1 C2 126.9(2) . . . . ? C2 Ru1 C1 C5 118.0(4) . . . . ? C3 Ru1 C1 C5 79.8(3) . . . . ? C4 Ru1 C1 C5 38.2(3) . . . . ? Os2 Ru1 C1 C5 -171.7(10) . . . . ? Os1 Ru1 C1 C5 -115.0(3) . . . . ? C2 Ru1 C1 C6 -120.6(6) . . . . ? C5 Ru1 C1 C6 121.4(6) . . . . ? C3 Ru1 C1 C6 -158.9(5) . . . . ? C4 Ru1 C1 C6 159.6(5) . . . . ? Os2 Ru1 C1 C6 -50.4(15) . . . . ? Os1 Ru1 C1 C6 6.3(5) . . . . ? C5 C1 C2 C3 3.0(5) . . . . ? C6 C1 C2 C3 -171.4(4) . . . . ? Ru1 C1 C2 C3 64.7(3) . . . . ? C5 C1 C2 C7 175.7(4) . . . . ? C6 C1 C2 C7 1.2(7) . . . . ? Ru1 C1 C2 C7 -122.6(4) . . . . ? C5 C1 C2 Ru1 -61.7(3) . . . . ? C6 C1 C2 Ru1 123.9(5) . . . . ? C5 Ru1 C2 C1 37.2(3) . . . . ? C3 Ru1 C2 C1 116.5(4) . . . . ? C4 Ru1 C2 C1 80.2(3) . . . . ? Os2 Ru1 C2 C1 -171.2(2) . . . . ? Os1 Ru1 C2 C1 -78.8(3) . . . . ? C1 Ru1 C2 C3 -116.5(4) . . . . ? C5 Ru1 C2 C3 -79.3(3) . . . . ? C4 Ru1 C2 C3 -36.3(3) . . . . ? Os2 Ru1 C2 C3 72.3(3) . . . . ? Os1 Ru1 C2 C3 164.7(2) . . . . ? C1 Ru1 C2 C7 121.2(6) . . . . ? C5 Ru1 C2 C7 158.4(5) . . . . ? C3 Ru1 C2 C7 -122.3(6) . . . . ? C4 Ru1 C2 C7 -158.6(5) . . . . ? Os2 Ru1 C2 C7 -50.0(5) . . . . ? Os1 Ru1 C2 C7 42.5(5) . . . . ? C1 C2 C3 C4 -2.5(5) . . . . ? C7 C2 C3 C4 -175.1(4) . . . . ? Ru1 C2 C3 C4 61.3(3) . . . . ? C1 C2 C3 C8 173.7(4) . . . . ? C7 C2 C3 C8 1.1(7) . . . . ? Ru1 C2 C3 C8 -122.5(4) . . . . ? C1 C2 C3 Ru1 -63.8(3) . . . . ? C7 C2 C3 Ru1 123.6(4) . . . . ? C2 Ru1 C3 C4 -118.4(4) . . . . ? C1 Ru1 C3 C4 -80.1(3) . . . . ? C5 Ru1 C3 C4 -37.4(3) . . . . ? Os2 Ru1 C3 C4 106.5(3) . . . . ? Os1 Ru1 C3 C4 -175.2(4) . . . . ? C1 Ru1 C3 C2 38.3(3) . . . . ? C5 Ru1 C3 C2 81.0(3) . . . . ? C4 Ru1 C3 C2 118.4(4) . . . . ? Os2 Ru1 C3 C2 -135.1(2) . . . . ? Os1 Ru1 C3 C2 -56.7(6) . . . . ? C2 Ru1 C3 C8 118.0(6) . . . . ? C1 Ru1 C3 C8 156.3(5) . . . . ? C5 Ru1 C3 C8 -161.0(5) . . . . ? C4 Ru1 C3 C8 -123.5(6) . . . . ? Os2 Ru1 C3 C8 -17.1(5) . . . . ? Os1 Ru1 C3 C8 61.3(8) . . . . ? C2 C3 C4 C5 1.0(5) . . . . ? C8 C3 C4 C5 -175.1(4) . . . . ? Ru1 C3 C4 C5 60.1(3) . . . . ? C2 C3 C4 C9 178.7(5) . . . . ? C8 C3 C4 C9 2.6(8) . . . . ? Ru1 C3 C4 C9 -122.2(5) . . . . ? C2 C3 C4 Ru1 -59.1(3) . . . . ? C8 C3 C4 Ru1 124.8(5) . . . . ? C2 Ru1 C4 C3 37.6(3) . . . . ? C1 Ru1 C4 C3 80.8(3) . . . . ? C5 Ru1 C4 C3 118.7(4) . . . . ? Os2 Ru1 C4 C3 -95.6(3) . . . . ? Os1 Ru1 C4 C3 177.3(2) . . . . ? C2 Ru1 C4 C5 -81.1(3) . . . . ? C1 Ru1 C4 C5 -38.0(3) . . . . ? C3 Ru1 C4 C5 -118.7(4) . . . . ? Os2 Ru1 C4 C5 145.6(2) . . . . ? Os1 Ru1 C4 C5 58.5(5) . . . . ? C2 Ru1 C4 C9 159.4(5) . . . . ? C1 Ru1 C4 C9 -157.4(5) . . . . ? C5 Ru1 C4 C9 -119.4(6) . . . . ? C3 Ru1 C4 C9 121.8(6) . . . . ? Os2 Ru1 C4 C9 26.2(5) . . . . ? Os1 Ru1 C4 C9 -60.9(6) . . . . ? C2 C1 C5 C4 -2.4(5) . . . . ? C6 C1 C5 C4 172.1(4) . . . . ? Ru1 C1 C5 C4 -62.9(3) . . . . ? C2 C1 C5 C10 -177.4(5) . . . . ? C6 C1 C5 C10 -3.0(8) . . . . ? Ru1 C1 C5 C10 122.1(5) . . . . ? C2 C1 C5 Ru1 60.5(3) . . . . ? C6 C1 C5 Ru1 -125.1(5) . . . . ? C3 C4 C5 C1 0.9(5) . . . . ? C9 C4 C5 C1 -176.9(5) . . . . ? Ru1 C4 C5 C1 61.8(3) . . . . ? C3 C4 C5 C10 176.0(5) . . . . ? C9 C4 C5 C10 -1.7(8) . . . . ? Ru1 C4 C5 C10 -123.0(5) . . . . ? C3 C4 C5 Ru1 -60.9(3) . . . . ? C9 C4 C5 Ru1 121.3(5) . . . . ? C2 Ru1 C5 C1 -37.6(3) . . . . ? C3 Ru1 C5 C1 -80.5(3) . . . . ? C4 Ru1 C5 C1 -116.7(4) . . . . ? Os2 Ru1 C5 C1 178.3(2) . . . . ? Os1 Ru1 C5 C1 88.5(3) . . . . ? C2 Ru1 C5 C4 79.2(3) . . . . ? C1 Ru1 C5 C4 116.7(4) . . . . ? C3 Ru1 C5 C4 36.2(3) . . . . ? Os2 Ru1 C5 C4 -64.9(4) . . . . ? Os1 Ru1 C5 C4 -154.8(2) . . . . ? C2 Ru1 C5 C10 -159.5(6) . . . . ? C1 Ru1 C5 C10 -121.9(6) . . . . ? C3 Ru1 C5 C10 157.5(6) . . . . ? C4 Ru1 C5 C10 121.3(6) . . . . ? Os2 Ru1 C5 C10 56.4(6) . . . . ? Os1 Ru1 C5 C10 -33.4(6) . . . . ? C1 C2 C7 C55 -82.6(7) . . . . ? C3 C2 C7 C55 88.9(7) . . . . ? Ru1 C2 C7 C55 -175.8(6) . . . . ? C12 Os1 C11 C15 118.0(5) . . . . ? C13 Os1 C11 C15 79.1(4) . . . . ? C14 Os1 C11 C15 36.8(4) . . . . ? Ru1 Os1 C11 C15 -105.4(3) . . . . ? Os2 Os1 C11 C15 176.7(4) . . . . ? C13 Os1 C11 C12 -38.9(4) . . . . ? C14 Os1 C11 C12 -81.2(4) . . . . ? C15 Os1 C11 C12 -118.0(5) . . . . ? Ru1 Os1 C11 C12 136.6(3) . . . . ? Os2 Os1 C11 C12 58.7(6) . . . . ? C12 Os1 C11 C16 -119.9(7) . . . . ? C13 Os1 C11 C16 -158.8(6) . . . . ? C14 Os1 C11 C16 158.9(6) . . . . ? C15 Os1 C11 C16 122.1(7) . . . . ? Ru1 Os1 C11 C16 16.7(6) . . . . ? Os2 Os1 C11 C16 -61.2(8) . . . . ? C15 C11 C12 C13 1.6(6) . . . . ? C16 C11 C12 C13 -173.8(5) . . . . ? Os1 C11 C12 C13 63.3(3) . . . . ? C15 C11 C12 C17 174.8(5) . . . . ? C16 C11 C12 C17 -0.6(9) . . . . ? Os1 C11 C12 C17 -123.6(6) . . . . ? C15 C11 C12 Os1 -61.7(4) . . . . ? C16 C11 C12 Os1 122.9(5) . . . . ? C14 Os1 C12 C13 -37.1(4) . . . . ? C11 Os1 C12 C13 -115.6(5) . . . . ? C15 Os1 C12 C13 -79.4(4) . . . . ? Ru1 Os1 C12 C13 173.2(3) . . . . ? Os2 Os1 C12 C13 81.1(4) . . . . ? C13 Os1 C12 C11 115.6(5) . . . . ? C14 Os1 C12 C11 78.5(4) . . . . ? C15 Os1 C12 C11 36.2(3) . . . . ? Ru1 Os1 C12 C11 -71.2(4) . . . . ? Os2 Os1 C12 C11 -163.3(2) . . . . ? C13 Os1 C12 C17 -123.0(7) . . . . ? C14 Os1 C12 C17 -160.1(6) . . . . ? C11 Os1 C12 C17 121.4(7) . . . . ? C15 Os1 C12 C17 157.6(6) . . . . ? Ru1 Os1 C12 C17 50.2(6) . . . . ? Os2 Os1 C12 C17 -41.9(6) . . . . ? C11 C12 C13 C14 -2.4(6) . . . . ? C17 C12 C13 C14 -175.3(6) . . . . ? Os1 C12 C13 C14 62.2(4) . . . . ? C11 C12 C13 C18 171.6(6) . . . . ? C17 C12 C13 C18 -1.3(10) . . . . ? Os1 C12 C13 C18 -123.8(6) . . . . ? C11 C12 C13 Os1 -64.6(3) . . . . ? C17 C12 C13 Os1 122.5(6) . . . . ? C12 Os1 C13 C14 -117.5(6) . . . . ? C11 Os1 C13 C14 -78.6(4) . . . . ? C15 Os1 C13 C14 -37.5(4) . . . . ? Ru1 Os1 C13 C14 165.0(19) . . . . ? Os2 Os1 C13 C14 117.4(4) . . . . ? C14 Os1 C13 C12 117.5(6) . . . . ? C11 Os1 C13 C12 38.9(3) . . . . ? C15 Os1 C13 C12 80.0(4) . . . . ? Ru1 Os1 C13 C12 -77(2) . . . . ? Os2 Os1 C13 C12 -125.1(3) . . . . ? C12 Os1 C13 C18 117.9(9) . . . . ? C14 Os1 C13 C18 -124.6(9) . . . . ? C11 Os1 C13 C18 156.7(8) . . . . ? C15 Os1 C13 C18 -162.1(8) . . . . ? Ru1 Os1 C13 C18 40(3) . . . . ? Os2 Os1 C13 C18 -7.3(8) . . . . ? C12 C13 C14 C15 2.3(6) . . . . ? C18 C13 C14 C15 -171.4(6) . . . . ? Os1 C13 C14 C15 63.6(4) . . . . ? C12 C13 C14 C19 179.9(6) . . . . ? C18 C13 C14 C19 6.2(10) . . . . ? Os1 C13 C14 C19 -118.8(6) . . . . ? C12 C13 C14 Os1 -61.3(4) . . . . ? C18 C13 C14 Os1 125.0(7) . . . . ? C12 Os1 C14 C13 38.2(3) . . . . ? C11 Os1 C14 C13 81.6(4) . . . . ? C15 Os1 C14 C13 117.5(5) . . . . ? Ru1 Os1 C14 C13 -177.9(3) . . . . ? Os2 Os1 C14 C13 -86.7(4) . . . . ? C12 Os1 C14 C15 -79.3(4) . . . . ? C13 Os1 C14 C15 -117.5(5) . . . . ? C11 Os1 C14 C15 -35.9(3) . . . . ? Ru1 Os1 C14 C15 64.6(5) . . . . ? Os2 Os1 C14 C15 155.8(3) . . . . ? C12 Os1 C14 C19 159.0(10) . . . . ? C13 Os1 C14 C19 120.9(11) . . . . ? C11 Os1 C14 C19 -157.5(10) . . . . ? C15 Os1 C14 C19 -121.7(10) . . . . ? Ru1 Os1 C14 C19 -57.1(10) . . . . ? Os2 Os1 C14 C19 34.1(10) . . . . ? C12 C11 C15 C14 -0.2(6) . . . . ? C16 C11 C15 C14 175.2(5) . . . . ? Os1 C11 C15 C14 -59.6(4) . . . . ? C12 C11 C15 C20 -177.5(5) . . . . ? C16 C11 C15 C20 -2.1(9) . . . . ? Os1 C11 C15 C20 123.2(6) . . . . ? C12 C11 C15 Os1 59.3(3) . . . . ? C16 C11 C15 Os1 -125.2(5) . . . . ? C13 C14 C15 C11 -1.3(6) . . . . ? C19 C14 C15 C11 -178.9(6) . . . . ? Os1 C14 C15 C11 60.9(4) . . . . ? C13 C14 C15 C20 176.0(5) . . . . ? C19 C14 C15 C20 -1.6(9) . . . . ? Os1 C14 C15 C20 -121.9(6) . . . . ? C13 C14 C15 Os1 -62.1(4) . . . . ? C19 C14 C15 Os1 120.3(6) . . . . ? C12 Os1 C15 C11 -38.2(3) . . . . ? C13 Os1 C15 C11 -81.7(4) . . . . ? C14 Os1 C15 C11 -119.2(5) . . . . ? Ru1 Os1 C15 C11 96.3(3) . . . . ? Os2 Os1 C15 C11 -177.9(3) . . . . ? C12 Os1 C15 C14 81.0(4) . . . . ? C13 Os1 C15 C14 37.4(4) . . . . ? C11 Os1 C15 C14 119.2(5) . . . . ? Ru1 Os1 C15 C14 -144.5(3) . . . . ? Os2 Os1 C15 C14 -58.7(6) . . . . ? C12 Os1 C15 C20 -158.6(8) . . . . ? C13 Os1 C15 C20 157.8(8) . . . . ? C14 Os1 C15 C20 120.4(8) . . . . ? C11 Os1 C15 C20 -120.4(9) . . . . ? Ru1 Os1 C15 C20 -24.2(8) . . . . ? Os2 Os1 C15 C20 61.7(9) . . . . ? C25 Os2 C21 C22 -117.8(5) . . . . ? C24 Os2 C21 C22 -79.8(4) . . . . ? C23 Os2 C21 C22 -36.9(3) . . . . ? Ru1 Os2 C21 C22 -172.6(4) . . . . ? Os1 Os2 C21 C22 103.8(3) . . . . ? C24 Os2 C21 C25 38.1(3) . . . . ? C23 Os2 C21 C25 81.0(4) . . . . ? C22 Os2 C21 C25 117.8(5) . . . . ? Ru1 Os2 C21 C25 -54.8(7) . . . . ? Os1 Os2 C21 C25 -138.4(3) . . . . ? C25 Os2 C21 C26 120.0(9) . . . . ? C24 Os2 C21 C26 158.1(9) . . . . ? C23 Os2 C21 C26 -159.0(9) . . . . ? C22 Os2 C21 C26 -122.1(10) . . . . ? Ru1 Os2 C21 C26 65.3(11) . . . . ? Os1 Os2 C21 C26 -18.4(9) . . . . ? C25 C21 C22 C23 0.8(6) . . . . ? C26 C21 C22 C23 -177.1(6) . . . . ? Os2 C21 C22 C23 60.2(4) . . . . ? C25 C21 C22 C27 176.5(5) . . . . ? C26 C21 C22 C27 -1.3(10) . . . . ? Os2 C21 C22 C27 -124.1(6) . . . . ? C25 C21 C22 Os2 -59.4(4) . . . . ? C26 C21 C22 Os2 122.8(6) . . . . ? C25 Os2 C22 C21 37.5(4) . . . . ? C24 Os2 C22 C21 80.8(4) . . . . ? C23 Os2 C22 C21 119.0(5) . . . . ? Ru1 Os2 C22 C21 173.5(3) . . . . ? Os1 Os2 C22 C21 -98.7(3) . . . . ? C25 Os2 C22 C23 -81.5(4) . . . . ? C24 Os2 C22 C23 -38.2(3) . . . . ? C21 Os2 C22 C23 -119.0(5) . . . . ? Ru1 Os2 C22 C23 54.5(6) . . . . ? Os1 Os2 C22 C23 142.3(3) . . . . ? C25 Os2 C22 C27 160.4(7) . . . . ? C24 Os2 C22 C27 -156.4(7) . . . . ? C23 Os2 C22 C27 -118.2(8) . . . . ? C21 Os2 C22 C27 122.8(8) . . . . ? Ru1 Os2 C22 C27 -63.6(9) . . . . ? Os1 Os2 C22 C27 24.1(7) . . . . ? C21 C22 C23 C24 0.9(6) . . . . ? C27 C22 C23 C24 -174.9(5) . . . . ? Os2 C22 C23 C24 62.4(3) . . . . ? C21 C22 C23 C28 175.9(5) . . . . ? C27 C22 C23 C28 0.1(9) . . . . ? Os2 C22 C23 C28 -122.6(6) . . . . ? C21 C22 C23 Os2 -61.5(4) . . . . ? C27 C22 C23 Os2 122.6(5) . . . . ? C25 Os2 C23 C22 78.5(4) . . . . ? C24 Os2 C23 C22 116.7(4) . . . . ? C21 Os2 C23 C22 36.1(3) . . . . ? Ru1 Os2 C23 C22 -159.3(3) . . . . ? Os1 Os2 C23 C22 -67.2(4) . . . . ? C25 Os2 C23 C24 -38.2(3) . . . . ? C22 Os2 C23 C24 -116.7(4) . . . . ? C21 Os2 C23 C24 -80.6(3) . . . . ? Ru1 Os2 C23 C24 84.0(3) . . . . ? Os1 Os2 C23 C24 176.1(2) . . . . ? C25 Os2 C23 C28 -159.1(6) . . . . ? C24 Os2 C23 C28 -120.9(7) . . . . ? C22 Os2 C23 C28 122.4(7) . . . . ? C21 Os2 C23 C28 158.6(6) . . . . ? Ru1 Os2 C23 C28 -36.9(6) . . . . ? Os1 Os2 C23 C28 55.3(7) . . . . ? C22 C23 C24 C25 -2.3(6) . . . . ? C28 C23 C24 C25 -177.3(5) . . . . ? Os2 C23 C24 C25 61.4(3) . . . . ? C22 C23 C24 C29 172.2(5) . . . . ? C28 C23 C24 C29 -2.8(9) . . . . ? Os2 C23 C24 C29 -124.2(5) . . . . ? C22 C23 C24 Os2 -63.7(4) . . . . ? C28 C23 C24 Os2 121.3(5) . . . . ? C23 Os2 C24 C25 -116.6(4) . . . . ? C22 Os2 C24 C25 -78.9(4) . . . . ? C21 Os2 C24 C25 -37.4(3) . . . . ? Ru1 Os2 C24 C25 123.2(3) . . . . ? Os1 Os2 C24 C25 95(2) . . . . ? C25 Os2 C24 C23 116.6(4) . . . . ? C22 Os2 C24 C23 37.7(3) . . . . ? C21 Os2 C24 C23 79.2(3) . . . . ? Ru1 Os2 C24 C23 -120.1(3) . . . . ? Os1 Os2 C24 C23 -148.3(18) . . . . ? C25 Os2 C24 C29 -120.7(7) . . . . ? C23 Os2 C24 C29 122.6(7) . . . . ? C22 Os2 C24 C29 160.4(7) . . . . ? C21 Os2 C24 C29 -158.2(7) . . . . ? Ru1 Os2 C24 C29 2.5(6) . . . . ? Os1 Os2 C24 C29 -26(2) . . . . ? C22 C21 C25 C24 -2.2(6) . . . . ? C26 C21 C25 C24 175.6(5) . . . . ? Os2 C21 C25 C24 -63.4(4) . . . . ? C22 C21 C25 C30 -176.9(6) . . . . ? C26 C21 C25 C30 1.0(10) . . . . ? Os2 C21 C25 C30 121.9(6) . . . . ? C22 C21 C25 Os2 61.2(4) . . . . ? C26 C21 C25 Os2 -120.9(6) . . . . ? C23 C24 C25 C21 2.8(6) . . . . ? C29 C24 C25 C21 -171.7(5) . . . . ? Os2 C24 C25 C21 64.9(4) . . . . ? C23 C24 C25 C30 177.3(6) . . . . ? C29 C24 C25 C30 2.8(9) . . . . ? Os2 C24 C25 C30 -120.6(6) . . . . ? C23 C24 C25 Os2 -62.1(3) . . . . ? C29 C24 C25 Os2 123.4(5) . . . . ? C24 Os2 C25 C21 -117.2(5) . . . . ? C23 Os2 C25 C21 -79.1(4) . . . . ? C22 Os2 C25 C21 -36.7(3) . . . . ? Ru1 Os2 C25 C21 161.3(3) . . . . ? Os1 Os2 C25 C21 69.6(4) . . . . ? C23 Os2 C25 C24 38.1(3) . . . . ? C22 Os2 C25 C24 80.5(3) . . . . ? C21 Os2 C25 C24 117.2(5) . . . . ? Ru1 Os2 C25 C24 -81.5(3) . . . . ? Os1 Os2 C25 C24 -173.2(2) . . . . ? C24 Os2 C25 C30 121.7(8) . . . . ? C23 Os2 C25 C30 159.7(8) . . . . ? C22 Os2 C25 C30 -157.8(8) . . . . ? C21 Os2 C25 C30 -121.1(8) . . . . ? Ru1 Os2 C25 C30 40.2(8) . . . . ? Os1 Os2 C25 C30 -51.5(8) . . . . ? C49 B1 C31 C32 82.0(5) 2_575 . . . ? C43 B1 C31 C32 -35.2(6) . . . . ? C37 B1 C31 C32 -157.9(4) . . . . ? C49 B1 C31 C36 -94.2(5) 2_575 . . . ? C43 B1 C31 C36 148.7(4) . . . . ? C37 B1 C31 C36 26.0(6) . . . . ? C36 C31 C32 C33 0.8(7) . . . 2_575 ? B1 C31 C32 C33 -175.6(5) . . . 2_575 ? C32 C33 C34 C35 -2.3(8) 2_575 . . 2_575 ? C34 C35 C36 C31 -0.2(8) 2_575 . . . ? C32 C31 C36 C35 0.4(7) . . . . ? B1 C31 C36 C35 176.8(4) . . . . ? C31 B1 C37 C42 -126.1(5) . . . 2_675 ? C49 B1 C37 C42 -7.2(7) 2_575 . . 2_675 ? C43 B1 C37 C42 113.7(5) . . . 2_675 ? C31 B1 C37 C38 52.1(6) . . . 2_675 ? C49 B1 C37 C38 171.0(5) 2_575 . . 2_675 ? C43 B1 C37 C38 -68.1(6) . . . 2_675 ? C37 C38 C39 C40 -2.1(9) 2_675 . . . ? C38 C39 C40 C41 0.2(9) . . . . ? C39 C40 C41 C42 1.0(9) . . . . ? C40 C41 C42 C37 -0.5(9) . . . 2_675 ? C31 B1 C43 C48 -94.0(6) . . . . ? C49 B1 C43 C48 149.0(5) 2_575 . . . ? C37 B1 C43 C48 27.1(7) . . . . ? C31 B1 C43 C44 83.7(6) . . . 2_575 ? C49 B1 C43 C44 -33.3(7) 2_575 . . 2_575 ? C37 B1 C43 C44 -155.2(5) . . . 2_575 ? C43 C44 C45 C46 2.1(14) 2_575 . . 2_575 ? C45 C46 C47 C48 -0.3(12) 2_575 . . . ? C44 C43 C48 C47 -1.0(9) 2_575 . . . ? B1 C43 C48 C47 176.8(5) . . . . ? C46 C47 C48 C43 0.2(10) . . . . ? C54 C49 C50 C51 -2.3(9) . . . . ? B1 C49 C50 C51 176.2(5) 2_575 . . . ? C49 C50 C51 C52 -0.2(10) . . . . ? C50 C51 C52 C53 2.1(13) . . . . ? C51 C52 C53 C54 -1.4(14) . . . . ? C52 C53 C54 C49 -1.2(13) . . . . ? C50 C49 C54 C53 3.0(10) . . . . ? B1 C49 C54 C53 -175.5(6) 2_575 . . . ? C56 C59 O1 C58 20.6(19) 1_455 . . . ? C57 C58 O1 C59 -83(3) 1_545 . . . ? C56 C58 O1 C59 -19.0(18) 1_455 . . . ? _diffrn_measured_fraction_theta_max 0.995 _diffrn_reflns_theta_full 25.33 _diffrn_measured_fraction_theta_full 0.995 _refine_diff_density_max 1.691 _refine_diff_density_min -0.998 _refine_diff_density_rms 0.123 #===END of 8'-BPh4