#------------------------------------------------------------------------------ #$Date: 2016-03-21 08:19:19 +0000 (Mon, 21 Mar 2016) $ #$Revision: 178645 $ #$URL: svn://www.crystallography.net/cod/cif/4/07/56/4075624.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_4075624 loop_ _publ_author_name 'Sun, Yi' 'Chan, Hoi-Shan' 'Xie, Zuowei' _publ_section_title ; Reaction Scope and Mechanism of Sterically Induced Ruthenium-Mediated Intramolecular Coupling ofo-Carboranyl with Cyclopentadienyl. Synthesis and Structure of Ruthenium Complexes Incorporating Doubly Linked Cyclopentadienyl−Carboranyl Ligands ; _journal_issue 17 _journal_name_full Organometallics _journal_page_first 4188 _journal_paper_doi 10.1021/om0604122 _journal_volume 25 _journal_year 2006 _chemical_formula_sum 'C54 H70 B20 N2 P2 Ru2 Si2' _chemical_formula_weight 1283.58 _chemical_name_systematic ; ? ; _space_group_IT_number 96 _symmetry_cell_setting tetragonal _symmetry_space_group_name_Hall 'P 4nw 2abw' _symmetry_space_group_name_H-M 'P 43 21 2' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-97 _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_formula_units_Z 4 _cell_length_a 14.7615(8) _cell_length_b 14.7615(8) _cell_length_c 31.863(3) _cell_measurement_temperature 294(2) _cell_volume 6943.0(8) _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _diffrn_ambient_temperature 294(2) _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.997 _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0739 _diffrn_reflns_av_sigmaI/netI 0.0469 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_l_max 37 _diffrn_reflns_limit_l_min -33 _diffrn_reflns_number 39121 _diffrn_reflns_theta_full 24.99 _diffrn_reflns_theta_max 24.99 _diffrn_reflns_theta_min 2.33 _exptl_absorpt_coefficient_mu 0.551 _exptl_absorpt_correction_T_max 1.0000 _exptl_absorpt_correction_T_min 0.8792 _exptl_absorpt_correction_type sadabs _exptl_crystal_colour red _exptl_crystal_density_diffrn 1.228 _exptl_crystal_density_method 'not measured' _exptl_crystal_description prism _exptl_crystal_F_000 2616 _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.10 _refine_diff_density_max 1.045 _refine_diff_density_min -0.408 _refine_diff_density_rms 0.127 _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.57(6) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.134 _refine_ls_hydrogen_treatment riding _refine_ls_matrix_type full _refine_ls_number_parameters 371 _refine_ls_number_reflns 6117 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.134 _refine_ls_R_factor_all 0.0663 _refine_ls_R_factor_gt 0.0463 _refine_ls_shift/su_max 0.007 _refine_ls_shift/su_mean 0.001 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0813P)^2^+9.1671P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1353 _refine_ls_wR_factor_ref 0.1534 _reflns_number_gt 5046 _reflns_number_total 6117 _reflns_threshold_expression >2sigma(I) _cod_data_source_file om0604122si20060515_065105.cif _cod_data_source_block 11 _cod_original_cell_volume 6943.1(9) _cod_original_sg_symbol_H-M P4(3)2(1)2 _cod_database_code 4075624 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z+1/2' '-y+1/2, x+1/2, z+3/4' 'y+1/2, -x+1/2, z+1/4' '-x+1/2, y+1/2, -z+3/4' 'x+1/2, -y+1/2, -z+1/4' 'y, x, -z' '-y, -x, -z+1/2' 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 Ru1 Ru 0.68444(3) 0.44481(3) 0.508215(15) 0.03155(16) Uani 1 1 d . Si1 Si 0.86550(14) 0.55441(17) 0.46068(7) 0.0540(6) Uani 1 1 d . N1 N 0.5698(3) 0.5173(3) 0.50129(16) 0.0338(12) Uani 1 1 d . P1 P 0.61311(12) 0.30512(12) 0.51662(5) 0.0354(4) Uani 1 1 d . B3 B 0.6836(6) 0.5453(5) 0.4167(2) 0.0431(17) Uani 1 1 d . H3 H 0.6619 0.6048 0.4349 0.052 Uiso 1 1 calc R B4 B 0.7609(7) 0.5556(7) 0.3741(3) 0.055(2) Uani 1 1 d . H4 H 0.7876 0.6216 0.3640 0.066 Uiso 1 1 calc R B5 B 0.8287(6) 0.4562(6) 0.3741(3) 0.052(2) Uani 1 1 d . H5 H 0.9001 0.4573 0.3643 0.062 Uiso 1 1 calc R B6 B 0.7893(6) 0.3871(6) 0.4166(3) 0.0421(19) Uani 1 1 d . H6 H 0.8358 0.3441 0.4348 0.050 Uiso 1 1 calc R B7 B 0.6098(6) 0.4531(7) 0.4052(2) 0.0443(19) Uani 1 1 d . H7 H 0.5383 0.4532 0.4149 0.053 Uiso 1 1 calc R B8 B 0.6473(7) 0.5228(7) 0.3640(3) 0.057(2) Uani 1 1 d . H8 H 0.5999 0.5676 0.3473 0.068 Uiso 1 1 calc R B9 B 0.7388(7) 0.4666(7) 0.3377(3) 0.058(3) Uani 1 1 d . H9 H 0.7509 0.4746 0.3039 0.069 Uiso 1 1 calc R B10 B 0.7583(7) 0.3624(7) 0.3641(3) 0.053(2) Uani 1 1 d . H10 H 0.7842 0.3025 0.3475 0.064 Uiso 1 1 calc R B11 B 0.6778(6) 0.3538(5) 0.4055(2) 0.0393(18) Uani 1 1 d . H11 H 0.6511 0.2877 0.4156 0.047 Uiso 1 1 calc R B12 B 0.6455(7) 0.4029(7) 0.3571(3) 0.055(2) Uani 1 1 d . H12 H 0.5977 0.3693 0.3357 0.066 Uiso 1 1 calc R C1 C 0.7888(5) 0.5032(5) 0.4200(2) 0.0435(17) Uani 1 1 d . C2 C 0.6973(4) 0.4401(4) 0.44057(17) 0.0333(13) Uani 1 1 d . C11 C 0.9848(6) 0.5181(8) 0.4505(4) 0.089(3) Uani 1 1 d . H11A H 1.0240 0.5443 0.4713 0.134 Uiso 1 1 calc R H11B H 1.0031 0.5381 0.4232 0.134 Uiso 1 1 calc R H11C H 0.9887 0.4533 0.4520 0.134 Uiso 1 1 calc R C12 C 0.8569(7) 0.6780(7) 0.4610(3) 0.081(3) Uani 1 1 d . H12A H 0.7952 0.6954 0.4661 0.121 Uiso 1 1 calc R H12B H 0.8761 0.7014 0.4343 0.121 Uiso 1 1 calc R H12C H 0.8950 0.7021 0.4828 0.121 Uiso 1 1 calc R C13 C 0.8211(5) 0.5082(5) 0.5103(2) 0.0460(16) Uani 1 1 d . C14 C 0.7636(5) 0.5564(5) 0.5387(2) 0.0496(18) Uani 1 1 d . H14A H 0.7491 0.6210 0.5365 0.059 Uiso 1 1 calc R C15 C 0.7319(5) 0.4976(5) 0.5708(2) 0.0494(18) Uani 1 1 d . H15A H 0.6934 0.5145 0.5946 0.059 Uiso 1 1 calc R C16 C 0.7693(5) 0.4122(5) 0.5631(2) 0.0494(19) Uani 1 1 d . H16A H 0.7620 0.3589 0.5812 0.059 Uiso 1 1 calc R C17 C 0.8234(5) 0.4161(5) 0.5265(2) 0.0491(17) Uani 1 1 d . H17A H 0.8608 0.3667 0.5155 0.059 Uiso 1 1 calc R C21 C 0.5353(5) 0.2548(5) 0.4785(2) 0.0400(16) Uani 1 1 d . C22 C 0.4594(5) 0.3053(6) 0.4665(2) 0.0573(19) Uani 1 1 d . H22A H 0.4535 0.3644 0.4762 0.069 Uiso 1 1 calc R C23 C 0.3931(7) 0.2702(7) 0.4408(3) 0.072(3) Uani 1 1 d . H23A H 0.3435 0.3056 0.4334 0.087 Uiso 1 1 calc R C24 C 0.3999(7) 0.1848(8) 0.4263(3) 0.078(3) Uani 1 1 d . H24A H 0.3548 0.1607 0.4093 0.094 Uiso 1 1 calc R C25 C 0.4738(8) 0.1338(7) 0.4369(3) 0.081(3) Uani 1 1 d . H25A H 0.4790 0.0754 0.4263 0.097 Uiso 1 1 calc R C26 C 0.5427(6) 0.1677(5) 0.4636(2) 0.055(2) Uani 1 1 d . H26A H 0.5920 0.1317 0.4709 0.066 Uiso 1 1 calc R C31 C 0.5417(5) 0.2951(4) 0.5637(2) 0.0413(16) Uani 1 1 d . C32 C 0.5403(6) 0.3630(5) 0.5933(2) 0.054(2) Uani 1 1 d . H32A H 0.5723 0.4163 0.5887 0.065 Uiso 1 1 calc R C33 C 0.4904(7) 0.3518(7) 0.6303(3) 0.073(3) Uani 1 1 d . H33A H 0.4895 0.3983 0.6501 0.087 Uiso 1 1 calc R C34 C 0.4429(7) 0.2735(6) 0.6381(3) 0.070(3) Uani 1 1 d . H34A H 0.4112 0.2658 0.6631 0.084 Uiso 1 1 calc R C35 C 0.4434(7) 0.2069(6) 0.6081(3) 0.068(2) Uani 1 1 d . H35A H 0.4113 0.1536 0.6126 0.082 Uiso 1 1 calc R C36 C 0.4910(6) 0.2182(5) 0.5714(3) 0.056(2) Uani 1 1 d . H36A H 0.4890 0.1728 0.5512 0.067 Uiso 1 1 calc R C41 C 0.6968(5) 0.2151(4) 0.5251(2) 0.0374(15) Uani 1 1 d . C42 C 0.7041(5) 0.1652(5) 0.5620(2) 0.0439(16) Uani 1 1 d . H42A H 0.6646 0.1766 0.5841 0.053 Uiso 1 1 calc R C43 C 0.7690(6) 0.0996(6) 0.5660(2) 0.056(2) Uani 1 1 d . H43A H 0.7736 0.0677 0.5911 0.067 Uiso 1 1 calc R C44 C 0.8284(5) 0.0795(5) 0.5332(3) 0.0530(19) Uani 1 1 d . H44A H 0.8709 0.0333 0.5358 0.064 Uiso 1 1 calc R C45 C 0.8226(5) 0.1293(5) 0.4972(2) 0.0524(19) Uani 1 1 d . H45A H 0.8628 0.1181 0.4754 0.063 Uiso 1 1 calc R C46 C 0.7581(5) 0.1957(5) 0.4929(2) 0.0498(18) Uani 1 1 d . H46A H 0.7551 0.2285 0.4680 0.060 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 0.0328(3) 0.0300(3) 0.0318(2) -0.0003(2) -0.0016(2) 0.0008(2) Si1 0.0385(11) 0.0591(13) 0.0645(14) 0.0015(12) 0.0001(10) -0.0144(10) N1 0.036(3) 0.036(3) 0.030(3) 0.003(2) 0.003(2) 0.000(2) P1 0.0398(9) 0.0314(9) 0.0350(9) 0.0014(7) 0.0044(7) 0.0005(7) B3 0.051(5) 0.038(4) 0.041(4) 0.011(3) 0.007(4) 0.007(4) B4 0.061(6) 0.052(5) 0.052(5) 0.012(4) 0.016(4) 0.007(5) B5 0.048(5) 0.059(6) 0.049(5) 0.011(4) 0.018(4) 0.009(4) B6 0.037(4) 0.043(5) 0.046(5) 0.002(4) 0.005(3) 0.006(3) B7 0.037(4) 0.059(5) 0.037(4) 0.002(4) -0.001(3) 0.001(4) B8 0.063(6) 0.068(6) 0.040(5) 0.018(4) -0.001(4) 0.012(5) B9 0.066(6) 0.065(6) 0.041(5) 0.009(4) 0.008(4) 0.012(5) B10 0.055(6) 0.060(6) 0.044(5) -0.002(4) 0.016(4) 0.006(4) B11 0.038(4) 0.039(4) 0.040(4) -0.003(3) 0.003(4) 0.003(4) B12 0.058(6) 0.069(6) 0.038(4) -0.008(4) 0.003(4) 0.002(4) C1 0.032(4) 0.045(4) 0.053(4) 0.008(3) 0.012(3) -0.004(3) C2 0.027(3) 0.042(4) 0.031(3) 0.005(3) 0.003(2) 0.002(3) C11 0.036(5) 0.121(10) 0.111(8) -0.005(7) -0.004(5) -0.006(5) C12 0.079(7) 0.070(6) 0.093(7) 0.010(6) -0.016(5) -0.033(5) C13 0.029(3) 0.048(4) 0.061(4) -0.009(4) -0.011(4) -0.007(3) C14 0.046(4) 0.043(4) 0.059(4) -0.013(4) -0.016(3) -0.003(4) C15 0.055(5) 0.057(5) 0.036(4) -0.012(4) -0.006(3) -0.008(4) C16 0.055(5) 0.049(5) 0.044(4) 0.007(3) -0.017(4) -0.001(4) C17 0.040(4) 0.051(4) 0.056(4) -0.003(3) -0.017(4) 0.008(3) C21 0.046(4) 0.041(4) 0.033(3) 0.002(3) 0.005(3) -0.007(3) C22 0.051(5) 0.062(5) 0.059(5) 0.007(4) 0.002(4) -0.002(4) C23 0.061(6) 0.079(7) 0.076(6) 0.009(5) -0.027(5) -0.011(5) C24 0.086(7) 0.092(8) 0.057(5) 0.008(6) -0.018(5) -0.030(7) C25 0.117(10) 0.067(6) 0.058(6) -0.019(5) -0.006(6) -0.027(6) C26 0.064(5) 0.052(5) 0.048(4) -0.002(4) 0.000(4) -0.005(4) C31 0.047(4) 0.036(4) 0.041(4) -0.001(3) 0.009(3) 0.004(3) C32 0.061(5) 0.048(4) 0.053(4) -0.001(3) 0.020(4) -0.004(4) C33 0.086(7) 0.073(6) 0.060(5) -0.015(5) 0.033(5) -0.002(5) C34 0.084(6) 0.071(6) 0.056(5) 0.012(4) 0.034(5) 0.007(5) C35 0.078(6) 0.048(5) 0.079(6) 0.004(4) 0.031(5) -0.005(4) C36 0.070(5) 0.046(4) 0.053(4) -0.005(4) 0.018(4) -0.005(4) C41 0.045(4) 0.029(3) 0.038(3) -0.001(3) -0.004(3) 0.003(3) C42 0.049(4) 0.043(4) 0.040(4) 0.005(3) 0.001(3) 0.007(3) C43 0.068(6) 0.054(5) 0.046(4) 0.009(4) -0.007(4) 0.002(4) C44 0.054(5) 0.040(4) 0.065(5) 0.001(3) -0.006(4) 0.007(3) C45 0.057(5) 0.053(4) 0.047(4) -0.006(4) 0.003(4) 0.023(4) C46 0.061(5) 0.050(4) 0.038(4) 0.004(4) 0.009(3) 0.009(4) 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' Si Si 0.0817 0.0704 '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' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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 N1 Ru1 C2 89.0(2) . N1 Ru1 C17 157.8(2) . C2 Ru1 C17 100.2(3) . N1 Ru1 C16 132.9(3) . C2 Ru1 C16 137.1(3) . C17 Ru1 C16 37.7(3) . N1 Ru1 C13 122.8(2) . C2 Ru1 C13 87.9(3) . C17 Ru1 C13 38.6(3) . C16 Ru1 C13 63.5(3) . N1 Ru1 C14 95.5(2) . C2 Ru1 C14 114.1(3) . C17 Ru1 C14 62.3(3) . C16 Ru1 C14 61.4(3) . C13 Ru1 C14 37.3(3) . N1 Ru1 C15 100.0(3) . C2 Ru1 C15 149.9(3) . C17 Ru1 C15 62.4(3) . C16 Ru1 C15 36.5(3) . C13 Ru1 C15 63.0(3) . C14 Ru1 C15 36.9(3) . N1 Ru1 P1 95.91(15) . C2 Ru1 P1 97.24(18) . C17 Ru1 P1 102.9(2) . C16 Ru1 P1 88.4(2) . C13 Ru1 P1 141.12(19) . C14 Ru1 P1 146.8(2) . C15 Ru1 P1 110.2(2) . C12 Si1 C13 109.9(4) . C12 Si1 C11 110.6(5) . C13 Si1 C11 112.2(5) . C12 Si1 C1 111.3(4) . C13 Si1 C1 103.2(3) . C11 Si1 C1 109.5(4) . N1 N1 Ru1 167.20(19) 7_556 C21 P1 C41 103.1(3) . C21 P1 C31 98.5(3) . C41 P1 C31 102.0(3) . C21 P1 Ru1 124.5(2) . C41 P1 Ru1 110.7(2) . C31 P1 Ru1 115.1(2) . C1 B3 C2 62.2(4) . C1 B3 B7 107.2(6) . C2 B3 B7 58.7(4) . C1 B3 B4 59.0(5) . C2 B3 B4 109.5(6) . B7 B3 B4 107.5(6) . C1 B3 B8 105.5(6) . C2 B3 B8 106.2(6) . B7 B3 B8 58.9(5) . B4 B3 B8 59.6(5) . C1 B4 B5 59.3(5) . C1 B4 B8 105.1(6) . B5 B4 B8 107.9(7) . C1 B4 B9 105.5(6) . B5 B4 B9 59.6(5) . B8 B4 B9 60.5(6) . C1 B4 B3 57.5(4) . B5 B4 B3 106.9(6) . B8 B4 B3 60.6(5) . B9 B4 B3 108.4(7) . C1 B5 B10 105.7(6) . C1 B5 B9 105.3(6) . B10 B5 B9 60.4(6) . C1 B5 B4 58.2(5) . B10 B5 B4 108.5(7) . B9 B5 B4 60.4(6) . C1 B5 B6 58.5(4) . B10 B5 B6 59.9(5) . B9 B5 B6 107.5(7) . B4 B5 B6 106.7(6) . C1 B6 C2 61.4(4) . C1 B6 B11 106.7(6) . C2 B6 B11 58.9(4) . C1 B6 B10 105.2(6) . C2 B6 B10 107.8(6) . B11 B6 B10 60.7(5) . C1 B6 B5 58.7(5) . C2 B6 B5 109.2(6) . B11 B6 B5 108.2(6) . B10 B6 B5 59.2(5) . C2 B7 B8 108.5(6) . C2 B7 B11 58.8(4) . B8 B7 B11 108.0(6) . C2 B7 B3 59.5(4) . B8 B7 B3 60.9(5) . B11 B7 B3 106.5(6) . C2 B7 B12 107.1(6) . B8 B7 B12 60.5(5) . B11 B7 B12 59.6(5) . B3 B7 B12 108.3(6) . B7 B8 B4 108.8(6) . B7 B8 B12 60.5(5) . B4 B8 B12 107.9(7) . B7 B8 B9 108.4(6) . B4 B8 B9 59.9(6) . B12 B8 B9 59.6(6) . B7 B8 B3 60.2(5) . B4 B8 B3 59.8(5) . B12 B8 B3 107.7(6) . B9 B8 B3 107.4(7) . B5 B9 B12 107.9(6) . B5 B9 B10 59.5(5) . B12 B9 B10 60.2(5) . B5 B9 B4 60.0(5) . B12 B9 B4 107.8(6) . B10 B9 B4 107.5(6) . B5 B9 B8 107.4(6) . B12 B9 B8 59.9(6) . B10 B9 B8 107.6(6) . B4 B9 B8 59.5(5) . B5 B10 B6 60.9(5) . B5 B10 B9 60.1(6) . B6 B10 B9 108.1(7) . B5 B10 B12 108.1(7) . B6 B10 B12 106.9(6) . B9 B10 B12 59.9(5) . B5 B10 B11 108.4(6) . B6 B10 B11 59.2(5) . B9 B10 B11 107.7(6) . B12 B10 B11 59.6(5) . C2 B11 B6 60.2(4) . C2 B11 B12 107.9(6) . B6 B11 B12 108.2(6) . C2 B11 B7 59.1(4) . B6 B11 B7 107.4(6) . B12 B11 B7 60.4(5) . C2 B11 B10 108.4(6) . B6 B11 B10 60.2(5) . B12 B11 B10 60.3(5) . B7 B11 B10 108.3(6) . B11 B12 B9 108.1(7) . B11 B12 B10 60.2(5) . B9 B12 B10 59.9(5) . B11 B12 B7 60.0(4) . B9 B12 B7 107.9(7) . B10 B12 B7 107.9(6) . B11 B12 B8 107.1(6) . B9 B12 B8 60.5(5) . B10 B12 B8 107.7(7) . B7 B12 B8 59.0(5) . B3 C1 B4 63.5(5) . B3 C1 B6 111.7(6) . B4 C1 B6 113.6(6) . B3 C1 B5 114.5(6) . B4 C1 B5 62.5(5) . B6 C1 B5 62.8(5) . B3 C1 C2 60.7(4) . B4 C1 C2 111.9(6) . B6 C1 C2 60.0(4) . B5 C1 C2 111.4(5) . B3 C1 Si1 116.9(5) . B4 C1 Si1 123.7(5) . B6 C1 Si1 116.2(5) . B5 C1 Si1 122.8(5) . C2 C1 Si1 114.5(4) . B11 C2 B7 62.1(4) . B11 C2 B3 110.9(5) . B7 C2 B3 61.8(5) . B11 C2 B6 60.9(4) . B7 C2 B6 110.3(5) . B3 C2 B6 107.4(5) . B11 C2 C1 106.1(5) . B7 C2 C1 105.7(5) . B3 C2 C1 57.1(4) . B6 C2 C1 58.6(4) . B11 C2 Ru1 131.0(4) . B7 C2 Ru1 125.5(4) . B3 C2 Ru1 113.4(4) . B6 C2 Ru1 121.3(4) . C1 C2 Ru1 114.9(4) . C14 C13 C17 104.7(7) . C14 C13 Si1 124.8(6) . C17 C13 Si1 130.0(6) . C14 C13 Ru1 71.9(4) . C17 C13 Ru1 68.8(4) . Si1 C13 Ru1 117.0(3) . C15 C14 C13 110.4(7) . C15 C14 Ru1 72.0(4) . C13 C14 Ru1 70.7(4) . C16 C15 C14 107.1(7) . C16 C15 Ru1 69.9(4) . C14 C15 Ru1 71.1(4) . C15 C16 C17 109.3(7) . C15 C16 Ru1 73.6(4) . C17 C16 Ru1 69.9(4) . C16 C17 C13 108.6(7) . C16 C17 Ru1 72.4(4) . C13 C17 Ru1 72.6(4) . C26 C21 C22 117.9(7) . C26 C21 P1 124.0(6) . C22 C21 P1 117.9(6) . C23 C22 C21 122.1(8) . C24 C23 C22 120.2(10) . C23 C24 C25 119.4(9) . C24 C25 C26 121.8(9) . C21 C26 C25 118.7(8) . C32 C31 C36 117.9(6) . C32 C31 P1 120.6(5) . C36 C31 P1 121.5(5) . C31 C32 C33 120.0(7) . C34 C33 C32 121.2(8) . C35 C34 C33 118.3(7) . C34 C35 C36 120.6(8) . C35 C36 C31 121.9(8) . C42 C41 C46 117.5(6) . C42 C41 P1 124.1(5) . C46 C41 P1 118.4(5) . C43 C42 C41 120.6(7) . C42 C43 C44 121.3(7) . C45 C44 C43 118.3(7) . C44 C45 C46 120.8(7) . C45 C46 C41 121.4(7) . loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 Ru1 N1 2.014(5) . Ru1 C2 2.165(6) . Ru1 C17 2.173(7) . Ru1 C16 2.205(7) . Ru1 C13 2.224(7) . Ru1 C14 2.241(7) . Ru1 C15 2.253(7) . Ru1 P1 2.3308(18) . Si1 C12 1.829(10) . Si1 C13 1.841(8) . Si1 C11 1.869(10) . Si1 C1 1.881(8) . N1 N1 1.099(10) 7_556 P1 C21 1.829(7) . P1 C41 1.834(6) . P1 C31 1.839(6) . B3 C1 1.675(11) . B3 C2 1.740(9) . B3 B7 1.780(12) . B3 B4 1.779(11) . B3 B8 1.792(12) . B4 C1 1.702(12) . B4 B5 1.776(12) . B4 B8 1.775(14) . B4 B9 1.782(14) . B5 C1 1.721(11) . B5 B10 1.759(14) . B5 B9 1.769(13) . B5 B6 1.791(12) . B6 C1 1.718(11) . B6 C2 1.743(10) . B6 B11 1.754(12) . B6 B10 1.772(12) . B7 C2 1.725(10) . B7 B8 1.756(12) . B7 B11 1.777(11) . B7 B12 1.783(12) . B8 B12 1.783(15) . B8 B9 1.793(13) . B9 B12 1.777(14) . B9 B10 1.776(13) . B10 B12 1.783(14) . B10 B11 1.780(12) . B11 C2 1.720(10) . B11 B12 1.770(12) . C1 C2 1.766(9) . C13 C14 1.429(10) . C13 C17 1.455(10) . C14 C15 1.422(11) . C15 C16 1.398(11) . C16 C17 1.416(11) . C21 C26 1.375(10) . C21 C22 1.399(10) . C22 C23 1.378(12) . C23 C24 1.346(14) . C24 C25 1.368(15) . C25 C26 1.416(12) . C31 C32 1.377(10) . C31 C36 1.381(10) . C32 C33 1.401(11) . C33 C34 1.376(13) . C34 C35 1.371(12) . C35 C36 1.373(11) . C41 C42 1.391(9) . C41 C46 1.398(9) . C42 C43 1.369(10) . C43 C44 1.395(11) . C44 C45 1.366(10) . C45 C46 1.374(10) .