# Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2009 data_global _journal_coden_Cambridge 182 _journal_volume ? _journal_page_first ? _journal_year ? loop_ _publ_author_name 'Hiromi Tobita' 'Takashi Komuro' _publ_contact_author_name 'Hiromi Tobita' _publ_contact_author_email TOBITA@M.TAINS.TOHOKU.AC.JP _publ_section_title ; Thermal reaction of a ruthenium bis(silyl) complex having a lutidine-based Si,N,Si ligand: formation of a m-silyl(m-silylene) diruthenium complex involving a 3c-2e Ru-Si-C interaction ; # Attachment 'cif.cif' data_complex1 _database_code_depnum_ccdc_archive 'CCDC 742957' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C14 H19 N O3 Ru Si2' _chemical_formula_sum 'C14 H19 N O3 Ru Si2' _chemical_formula_weight 406.55 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 1 21/n 1' _symmetry_space_group_name_Hall '-P 2yn' _symmetry_Int_Tables_number 14 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 7.1593(4) _cell_length_b 20.5715(15) _cell_length_c 12.3613(13) _cell_angle_alpha 90.00 _cell_angle_beta 104.361(5) _cell_angle_gamma 90.00 _cell_volume 1763.7(2) _cell_formula_units_Z 4 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used 18995 _cell_measurement_theta_min 2.6 _cell_measurement_theta_max 27.4 _exptl_crystal_description platelet _exptl_crystal_colour lemon-yellow _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.23 _exptl_crystal_size_min 0.03 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.531 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 824 _exptl_absorpt_coefficient_mu 1.032 _exptl_absorpt_correction_type numerical _exptl_absorpt_correction_T_min 0.7824 _exptl_absorpt_correction_T_max 0.9697 _exptl_absorpt_process_details ; HIGASHI, T. (1999). Shape - Program to obtain Crystal Shape using CCD camera. Rigaku Corporation, Tokyo, Japan. HIGASHI, T. (1999). Numabs - Numerical Absorption Correction, Rigaku Corporation, Tokyo, Japan. ; _exptl_special_details ; ? ; _diffrn_ambient_temperature 150(2) _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_type MoK\a _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Rigaku RAXIS-RAPID Imaging Plate' _diffrn_measurement_method \w _diffrn_detector_area_resol_mean 10.00 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 13609 _diffrn_reflns_av_R_equivalents 0.0481 _diffrn_reflns_av_sigmaI/netI 0.0307 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_k_min -26 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_theta_min 1.97 _diffrn_reflns_theta_max 27.39 _diffrn_measured_fraction_theta_max 0.976 _diffrn_reflns_theta_full 27.39 _diffrn_measured_fraction_theta_full 0.976 _reflns_number_total 3918 _reflns_number_gt 3400 _reflns_threshold_expression >2\s(I) _computing_data_collection PROCESS-AUTO _computing_cell_refinement PROCESS-AUTO _computing_data_reduction 'teXsan Ver. 1.11' _computing_structure_solution 'DIRDIF99 (PATTY)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ORTEP-3 _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^)+(0.0268P)^2^+2.4876P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary heavy _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 3918 _refine_ls_number_parameters 194 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0434 _refine_ls_R_factor_gt 0.0333 _refine_ls_wR_factor_ref 0.0749 _refine_ls_wR_factor_gt 0.0686 _refine_ls_goodness_of_fit_ref 1.150 _refine_ls_restrained_S_all 1.150 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_diff_density_max 0.400 _refine_diff_density_min -0.818 _refine_diff_density_rms 0.107 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 0.23497(3) 0.132090(10) 0.297547(18) 0.01483(7) Uani 1 1 d . . . Si1 Si 0.22834(11) 0.24854(4) 0.25610(7) 0.01876(16) Uani 1 1 d . . . Si2 Si 0.28698(11) 0.01513(4) 0.28681(6) 0.01871(16) Uani 1 1 d . . . O1 O 0.6672(3) 0.15183(13) 0.4180(2) 0.0382(6) Uani 1 1 d . . . O2 O 0.1183(3) 0.13555(12) 0.51830(18) 0.0308(5) Uani 1 1 d . . . O3 O -0.1951(3) 0.11287(14) 0.1736(2) 0.0435(6) Uani 1 1 d . . . N1 N 0.3070(3) 0.12756(11) 0.13426(19) 0.0185(5) Uani 1 1 d . . . C1 C 0.3394(5) 0.30866(14) 0.3708(3) 0.0265(6) Uani 1 1 d . . . H1 H 0.3469 0.3516 0.3379 0.040 Uiso 1 1 calc R . . H2 H 0.4693 0.2941 0.4092 0.040 Uiso 1 1 calc R . . H3 H 0.2593 0.3112 0.4244 0.040 Uiso 1 1 calc R . . C2 C -0.0087(5) 0.28358(15) 0.1713(3) 0.0290(7) Uani 1 1 d . . . H4 H -0.1046 0.2822 0.2157 0.043 Uiso 1 1 calc R . . H5 H -0.0548 0.2579 0.1031 0.043 Uiso 1 1 calc R . . H6 H 0.0110 0.3287 0.1514 0.043 Uiso 1 1 calc R . . C3 C 0.3991(4) 0.24313(14) 0.1590(3) 0.0257(6) Uani 1 1 d . . . H7 H 0.3803 0.2817 0.1097 0.031 Uiso 1 1 calc R . . H8 H 0.5341 0.2435 0.2045 0.031 Uiso 1 1 calc R . . C4 C 0.3653(4) 0.18272(14) 0.0888(2) 0.0207(6) Uani 1 1 d . . . C5 C 0.3953(4) 0.18146(16) -0.0193(3) 0.0273(7) Uani 1 1 d . . . H9 H 0.4309 0.2202 -0.0511 0.033 Uiso 1 1 calc R . . C6 C 0.3733(5) 0.12386(16) -0.0799(3) 0.0303(7) Uani 1 1 d . . . H10 H 0.3943 0.1227 -0.1528 0.036 Uiso 1 1 calc R . . C7 C 0.3204(4) 0.06843(15) -0.0323(2) 0.0250(6) Uani 1 1 d . . . H11 H 0.3078 0.0284 -0.0719 0.030 Uiso 1 1 calc R . . C8 C 0.2850(4) 0.07072(14) 0.0744(2) 0.0194(6) Uani 1 1 d . . . C9 C 0.2188(4) 0.01123(14) 0.1254(2) 0.0237(6) Uani 1 1 d . . . H12 H 0.2780 -0.0279 0.1010 0.028 Uiso 1 1 calc R . . H13 H 0.0771 0.0071 0.0981 0.028 Uiso 1 1 calc R . . C10 C 0.1255(5) -0.04286(15) 0.3399(3) 0.0303(7) Uani 1 1 d . . . H14 H 0.1573 -0.0877 0.3243 0.046 Uiso 1 1 calc R . . H15 H -0.0095 -0.0339 0.3023 0.046 Uiso 1 1 calc R . . H16 H 0.1448 -0.0371 0.4206 0.046 Uiso 1 1 calc R . . C11 C 0.5455(4) -0.01422(15) 0.3373(3) 0.0287(7) Uani 1 1 d . . . H17 H 0.5875 -0.0098 0.4187 0.043 Uiso 1 1 calc R . . H18 H 0.6292 0.0119 0.3026 0.043 Uiso 1 1 calc R . . H19 H 0.5533 -0.0600 0.3168 0.043 Uiso 1 1 calc R . . C12 C 0.5064(4) 0.14430(14) 0.3738(2) 0.0224(6) Uani 1 1 d . . . C13 C 0.1639(4) 0.13439(14) 0.4353(3) 0.0215(6) Uani 1 1 d . . . C14 C -0.0363(4) 0.12038(14) 0.2192(3) 0.0233(6) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ru1 0.01403(11) 0.01469(11) 0.01622(11) 0.00179(9) 0.00461(8) 0.00065(8) Si1 0.0199(4) 0.0162(3) 0.0208(4) 0.0022(3) 0.0064(3) 0.0022(3) Si2 0.0217(4) 0.0157(3) 0.0189(4) 0.0011(3) 0.0055(3) -0.0003(3) O1 0.0206(12) 0.0483(15) 0.0415(14) -0.0040(12) -0.0004(10) -0.0006(11) O2 0.0290(12) 0.0433(13) 0.0231(11) -0.0010(10) 0.0124(9) -0.0033(10) O3 0.0182(12) 0.0644(18) 0.0444(15) 0.0023(13) 0.0012(10) -0.0024(11) N1 0.0171(11) 0.0212(11) 0.0177(11) 0.0028(9) 0.0056(9) 0.0026(9) C1 0.0303(16) 0.0217(15) 0.0269(16) -0.0001(12) 0.0062(12) -0.0015(12) C2 0.0343(17) 0.0243(15) 0.0255(15) 0.0007(12) 0.0021(13) 0.0100(13) C3 0.0284(15) 0.0219(14) 0.0314(16) 0.0054(12) 0.0157(13) 0.0005(12) C4 0.0150(13) 0.0243(14) 0.0249(14) 0.0070(11) 0.0088(11) 0.0041(11) C5 0.0279(16) 0.0292(16) 0.0285(16) 0.0081(13) 0.0141(13) 0.0039(13) C6 0.0348(17) 0.0364(18) 0.0234(16) 0.0027(13) 0.0140(13) 0.0055(14) C7 0.0277(16) 0.0273(15) 0.0201(14) -0.0039(12) 0.0063(12) 0.0018(12) C8 0.0173(13) 0.0214(13) 0.0187(13) 0.0004(11) 0.0028(10) 0.0017(11) C9 0.0288(15) 0.0222(14) 0.0195(14) -0.0024(11) 0.0050(11) -0.0055(12) C10 0.0411(18) 0.0232(15) 0.0299(16) 0.0003(13) 0.0148(14) -0.0082(14) C11 0.0289(16) 0.0239(15) 0.0318(16) -0.0012(13) 0.0044(13) 0.0069(13) C12 0.0245(15) 0.0194(14) 0.0239(15) -0.0001(11) 0.0070(12) 0.0015(11) C13 0.0168(13) 0.0185(13) 0.0284(15) -0.0012(12) 0.0040(11) -0.0009(11) C14 0.0232(15) 0.0238(15) 0.0239(14) 0.0008(11) 0.0076(12) -0.0018(11) _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 C13 1.895(3) . ? Ru1 C12 1.954(3) . ? Ru1 C14 1.958(3) . ? Ru1 N1 2.206(2) . ? Ru1 Si2 2.4432(8) . ? Ru1 Si1 2.4477(8) . ? Si1 C1 1.901(3) . ? Si1 C2 1.902(3) . ? Si1 C3 1.917(3) . ? Si2 C10 1.888(3) . ? Si2 C11 1.899(3) . ? Si2 C9 1.935(3) . ? O1 C12 1.156(4) . ? O2 C13 1.152(4) . ? O3 C14 1.147(4) . ? N1 C8 1.372(4) . ? N1 C4 1.376(4) . ? C1 H1 0.9800 . ? C1 H2 0.9800 . ? C1 H3 0.9800 . ? C2 H4 0.9800 . ? C2 H5 0.9800 . ? C2 H6 0.9800 . ? C3 C4 1.501(4) . ? C3 H7 0.9900 . ? C3 H8 0.9900 . ? C4 C5 1.405(4) . ? C5 C6 1.390(5) . ? C5 H9 0.9500 . ? C6 C7 1.378(4) . ? C6 H10 0.9500 . ? C7 C8 1.404(4) . ? C7 H11 0.9500 . ? C8 C9 1.506(4) . ? C9 H12 0.9900 . ? C9 H13 0.9900 . ? C10 H14 0.9800 . ? C10 H15 0.9800 . ? C10 H16 0.9800 . ? C11 H17 0.9800 . ? C11 H18 0.9800 . ? C11 H19 0.9800 . ? 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 C13 Ru1 C12 91.14(12) . . ? C13 Ru1 C14 89.60(12) . . ? C12 Ru1 C14 179.18(12) . . ? C13 Ru1 N1 177.79(10) . . ? C12 Ru1 N1 90.95(10) . . ? C14 Ru1 N1 88.32(10) . . ? C13 Ru1 Si2 98.74(9) . . ? C12 Ru1 Si2 90.35(8) . . ? C14 Ru1 Si2 89.87(9) . . ? N1 Ru1 Si2 80.52(6) . . ? C13 Ru1 Si1 99.67(9) . . ? C12 Ru1 Si1 86.59(8) . . ? C14 Ru1 Si1 92.95(9) . . ? N1 Ru1 Si1 81.18(6) . . ? Si2 Ru1 Si1 161.39(3) . . ? C1 Si1 C2 108.39(14) . . ? C1 Si1 C3 106.91(14) . . ? C2 Si1 C3 107.32(14) . . ? C1 Si1 Ru1 119.86(10) . . ? C2 Si1 Ru1 117.05(11) . . ? C3 Si1 Ru1 95.27(9) . . ? C10 Si2 C11 108.40(15) . . ? C10 Si2 C9 108.20(14) . . ? C11 Si2 C9 107.58(14) . . ? C10 Si2 Ru1 119.24(11) . . ? C11 Si2 Ru1 116.39(10) . . ? C9 Si2 Ru1 95.40(9) . . ? C8 N1 C4 119.2(2) . . ? C8 N1 Ru1 120.54(18) . . ? C4 N1 Ru1 120.15(19) . . ? Si1 C1 H1 109.5 . . ? Si1 C1 H2 109.5 . . ? H1 C1 H2 109.5 . . ? Si1 C1 H3 109.5 . . ? H1 C1 H3 109.5 . . ? H2 C1 H3 109.5 . . ? Si1 C2 H4 109.5 . . ? Si1 C2 H5 109.5 . . ? H4 C2 H5 109.5 . . ? Si1 C2 H6 109.5 . . ? H4 C2 H6 109.5 . . ? H5 C2 H6 109.5 . . ? C4 C3 Si1 111.9(2) . . ? C4 C3 H7 109.2 . . ? Si1 C3 H7 109.2 . . ? C4 C3 H8 109.2 . . ? Si1 C3 H8 109.2 . . ? H7 C3 H8 107.9 . . ? N1 C4 C5 120.4(3) . . ? N1 C4 C3 117.9(2) . . ? C5 C4 C3 121.6(3) . . ? C6 C5 C4 120.3(3) . . ? C6 C5 H9 119.9 . . ? C4 C5 H9 119.9 . . ? C7 C6 C5 118.8(3) . . ? C7 C6 H10 120.6 . . ? C5 C6 H10 120.6 . . ? C6 C7 C8 120.4(3) . . ? C6 C7 H11 119.8 . . ? C8 C7 H11 119.8 . . ? N1 C8 C7 120.8(3) . . ? N1 C8 C9 118.2(2) . . ? C7 C8 C9 121.0(3) . . ? C8 C9 Si2 111.89(19) . . ? C8 C9 H12 109.2 . . ? Si2 C9 H12 109.2 . . ? C8 C9 H13 109.2 . . ? Si2 C9 H13 109.2 . . ? H12 C9 H13 107.9 . . ? Si2 C10 H14 109.5 . . ? Si2 C10 H15 109.5 . . ? H14 C10 H15 109.5 . . ? Si2 C10 H16 109.5 . . ? H14 C10 H16 109.5 . . ? H15 C10 H16 109.5 . . ? Si2 C11 H17 109.5 . . ? Si2 C11 H18 109.5 . . ? H17 C11 H18 109.5 . . ? Si2 C11 H19 109.5 . . ? H17 C11 H19 109.5 . . ? H18 C11 H19 109.5 . . ? O1 C12 Ru1 179.3(3) . . ? O2 C13 Ru1 179.1(3) . . ? O3 C14 Ru1 179.3(3) . . ? 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 C13 Ru1 Si1 C1 44.06(15) . . . . ? C12 Ru1 Si1 C1 -46.52(14) . . . . ? C14 Ru1 Si1 C1 134.16(15) . . . . ? N1 Ru1 Si1 C1 -138.01(13) . . . . ? Si2 Ru1 Si1 C1 -127.43(14) . . . . ? C13 Ru1 Si1 C2 -90.49(14) . . . . ? C12 Ru1 Si1 C2 178.93(14) . . . . ? C14 Ru1 Si1 C2 -0.39(14) . . . . ? N1 Ru1 Si1 C2 87.44(13) . . . . ? Si2 Ru1 Si1 C2 98.01(14) . . . . ? C13 Ru1 Si1 C3 157.00(13) . . . . ? C12 Ru1 Si1 C3 66.42(13) . . . . ? C14 Ru1 Si1 C3 -112.90(13) . . . . ? N1 Ru1 Si1 C3 -25.06(12) . . . . ? Si2 Ru1 Si1 C3 -14.49(14) . . . . ? C13 Ru1 Si2 C10 36.35(15) . . . . ? C12 Ru1 Si2 C10 127.56(15) . . . . ? C14 Ru1 Si2 C10 -53.23(15) . . . . ? N1 Ru1 Si2 C10 -141.54(14) . . . . ? Si1 Ru1 Si2 C10 -152.13(14) . . . . ? C13 Ru1 Si2 C11 -96.62(14) . . . . ? C12 Ru1 Si2 C11 -5.41(14) . . . . ? C14 Ru1 Si2 C11 173.80(14) . . . . ? N1 Ru1 Si2 C11 85.49(13) . . . . ? Si1 Ru1 Si2 C11 74.90(15) . . . . ? C13 Ru1 Si2 C9 150.71(13) . . . . ? C12 Ru1 Si2 C9 -118.08(13) . . . . ? C14 Ru1 Si2 C9 61.13(13) . . . . ? N1 Ru1 Si2 C9 -27.18(11) . . . . ? Si1 Ru1 Si2 C9 -37.77(14) . . . . ? C12 Ru1 N1 C8 112.4(2) . . . . ? C14 Ru1 N1 C8 -67.9(2) . . . . ? Si2 Ru1 N1 C8 22.25(19) . . . . ? Si1 Ru1 N1 C8 -161.2(2) . . . . ? C12 Ru1 N1 C4 -70.9(2) . . . . ? C14 Ru1 N1 C4 108.8(2) . . . . ? Si2 Ru1 N1 C4 -161.1(2) . . . . ? Si1 Ru1 N1 C4 15.52(19) . . . . ? C1 Si1 C3 C4 161.0(2) . . . . ? C2 Si1 C3 C4 -82.9(2) . . . . ? Ru1 Si1 C3 C4 37.6(2) . . . . ? C8 N1 C4 C5 2.2(4) . . . . ? Ru1 N1 C4 C5 -174.5(2) . . . . ? C8 N1 C4 C3 -176.5(2) . . . . ? Ru1 N1 C4 C3 6.8(3) . . . . ? Si1 C3 C4 N1 -32.9(3) . . . . ? Si1 C3 C4 C5 148.3(2) . . . . ? N1 C4 C5 C6 -2.4(4) . . . . ? C3 C4 C5 C6 176.4(3) . . . . ? C4 C5 C6 C7 0.4(5) . . . . ? C5 C6 C7 C8 1.5(5) . . . . ? C4 N1 C8 C7 -0.3(4) . . . . ? Ru1 N1 C8 C7 176.4(2) . . . . ? C4 N1 C8 C9 -179.3(2) . . . . ? Ru1 N1 C8 C9 -2.6(3) . . . . ? C6 C7 C8 N1 -1.7(4) . . . . ? C6 C7 C8 C9 177.3(3) . . . . ? N1 C8 C9 Si2 -26.2(3) . . . . ? C7 C8 C9 Si2 154.8(2) . . . . ? C10 Si2 C9 C8 159.5(2) . . . . ? C11 Si2 C9 C8 -83.6(2) . . . . ? Ru1 Si2 C9 C8 36.3(2) . . . . ? #===END data_complex2 _database_code_depnum_ccdc_archive 'CCDC 742958' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C26 H38 N2 O4 Ru2 Si4' _chemical_formula_sum 'C26 H38 N2 O4 Ru2 Si4' _chemical_formula_weight 757.08 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 1 21/n 1' _symmetry_space_group_name_Hall '-P 2yn' _symmetry_Int_Tables_number 14 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 10.5784(5) _cell_length_b 13.6191(5) _cell_length_c 22.5534(9) _cell_angle_alpha 90.00 _cell_angle_beta 99.2293(18) _cell_angle_gamma 90.00 _cell_volume 3207.2(2) _cell_formula_units_Z 4 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used 25872 _cell_measurement_theta_min 1.5 _cell_measurement_theta_max 27.5 _exptl_crystal_description platelet _exptl_crystal_colour red _exptl_crystal_size_max 0.68 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.568 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1536 _exptl_absorpt_coefficient_mu 1.124 _exptl_absorpt_correction_type numerical _exptl_absorpt_correction_T_min 0.5153 _exptl_absorpt_correction_T_max 0.8959 _exptl_absorpt_process_details ; HIGASHI, T. (1999). Shape - Program to obtain Crystal Shape using CCD camera. Rigaku Corporation, Tokyo, Japan. HIGASHI, T. (1999). Numabs - Numerical Absorption Correction, Rigaku Corporation, Tokyo, Japan. ; _exptl_special_details ; ? ; _diffrn_ambient_temperature 150(2) _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_type MoK\a _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Rigaku RAXIS-RAPID Imaging Plate' _diffrn_measurement_method \w _diffrn_detector_area_resol_mean 10.00 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 30166 _diffrn_reflns_av_R_equivalents 0.0552 _diffrn_reflns_av_sigmaI/netI 0.0332 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_l_min -29 _diffrn_reflns_limit_l_max 29 _diffrn_reflns_theta_min 1.75 _diffrn_reflns_theta_max 27.44 _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 27.44 _diffrn_measured_fraction_theta_full 0.999 _reflns_number_total 7325 _reflns_number_gt 6390 _reflns_threshold_expression >2\s(I) _computing_data_collection PROCESS-AUTO _computing_cell_refinement PROCESS-AUTO _computing_data_reduction 'teXsan Ver. 1.11' _computing_structure_solution 'DIRDIF99 (PATTY)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ORTEP-3 _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^)+(0.0450P)^2^+1.9544P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary heavy _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 7325 _refine_ls_number_parameters 359 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0491 _refine_ls_R_factor_gt 0.0380 _refine_ls_wR_factor_ref 0.0976 _refine_ls_wR_factor_gt 0.0876 _refine_ls_goodness_of_fit_ref 1.316 _refine_ls_restrained_S_all 1.316 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_diff_density_max 0.834 _refine_diff_density_min -1.136 _refine_diff_density_rms 0.281 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 0.20118(2) 0.332611(17) 0.105692(11) 0.01439(8) Uani 1 1 d . . . Ru2 Ru 0.23254(2) 0.141535(18) 0.050014(11) 0.01567(8) Uani 1 1 d . . . Si1 Si 0.38609(9) 0.26873(7) 0.07226(4) 0.01905(18) Uani 1 1 d . . . Si2 Si 0.30367(9) 0.48989(6) 0.13017(4) 0.02040(19) Uani 1 1 d . . . Si3 Si 0.02803(9) 0.21213(6) 0.10188(4) 0.01714(18) Uani 1 1 d . . . Si4 Si 0.31329(10) 0.15823(7) -0.15955(5) 0.0250(2) Uani 1 1 d . . . O1 O 0.3349(3) 0.2694(2) 0.22980(12) 0.0387(7) Uani 1 1 d . . . O2 O 0.1172(3) 0.4098(2) -0.02242(12) 0.0339(6) Uani 1 1 d . . . O3 O 0.3520(3) 0.0524(2) 0.16657(12) 0.0374(7) Uani 1 1 d . . . O4 O 0.3631(3) -0.0185(2) -0.00965(14) 0.0393(7) Uani 1 1 d . . . N1 N 0.0449(3) 0.41789(19) 0.13949(12) 0.0182(5) Uani 1 1 d . . . N2 N 0.0963(3) 0.17097(19) -0.03166(12) 0.0174(5) Uani 1 1 d . . . C1 C 0.4559(4) 0.3354(3) 0.01098(19) 0.0324(8) Uani 1 1 d . . . H1 H 0.5117 0.3887 0.0288 0.049 Uiso 1 1 calc R . . H2 H 0.3863 0.3628 -0.0183 0.049 Uiso 1 1 calc R . . H3 H 0.5059 0.2892 -0.0093 0.049 Uiso 1 1 calc R . . C2 C 0.5366(4) 0.2342(3) 0.1251(2) 0.0332(9) Uani 1 1 d . . . H4 H 0.5857 0.1866 0.1054 0.050 Uiso 1 1 calc R . . H5 H 0.5135 0.2049 0.1616 0.050 Uiso 1 1 calc R . . H6 H 0.5886 0.2930 0.1357 0.050 Uiso 1 1 calc R . . C3 C 0.2670(4) 0.5876(3) 0.07097(19) 0.0326(8) Uani 1 1 d . . . H7 H 0.3029 0.6504 0.0869 0.049 Uiso 1 1 calc R . . H8 H 0.1740 0.5940 0.0595 0.049 Uiso 1 1 calc R . . H9 H 0.3050 0.5694 0.0357 0.049 Uiso 1 1 calc R . . C4 C 0.4789(4) 0.5033(3) 0.1617(2) 0.0378(10) Uani 1 1 d . . . H10 H 0.5297 0.4977 0.1291 0.057 Uiso 1 1 calc R . . H11 H 0.5044 0.4516 0.1914 0.057 Uiso 1 1 calc R . . H12 H 0.4939 0.5677 0.1810 0.057 Uiso 1 1 calc R . . C5 C 0.2119(4) 0.5228(3) 0.19327(17) 0.0261(7) Uani 1 1 d . . . H13 H 0.2482 0.4867 0.2302 0.031 Uiso 1 1 calc R . . H14 H 0.2205 0.5940 0.2019 0.031 Uiso 1 1 calc R . . C6 C 0.0742(4) 0.4972(2) 0.17590(15) 0.0221(7) Uani 1 1 d . . . C7 C -0.0229(4) 0.5516(3) 0.19583(16) 0.0269(7) Uani 1 1 d . . . H15 H -0.0016 0.6058 0.2220 0.032 Uiso 1 1 calc R . . C8 C -0.1485(4) 0.5270(3) 0.17782(17) 0.0285(8) Uani 1 1 d . . . H16 H -0.2148 0.5638 0.1912 0.034 Uiso 1 1 calc R . . C9 C -0.1775(3) 0.4476(3) 0.13962(17) 0.0259(7) Uani 1 1 d . . . H17 H -0.2643 0.4306 0.1257 0.031 Uiso 1 1 calc R . . C10 C -0.0798(3) 0.3931(2) 0.12186(15) 0.0208(6) Uani 1 1 d . . . C11 C -0.1062(3) 0.3046(3) 0.08283(17) 0.0244(7) Uani 1 1 d . . . H18 H -0.1136 0.3240 0.0401 0.029 Uiso 1 1 calc R . . H19 H -0.1884 0.2746 0.0889 0.029 Uiso 1 1 calc R . . C12 C 0.0106(4) 0.1543(3) 0.17587(17) 0.0310(8) Uani 1 1 d . . . H20 H 0.0285 0.2034 0.2079 0.047 Uiso 1 1 calc R . . H21 H 0.0712 0.0997 0.1842 0.047 Uiso 1 1 calc R . . H22 H -0.0770 0.1297 0.1741 0.047 Uiso 1 1 calc R . . C13 C -0.0252(3) 0.1115(2) 0.04210(16) 0.0204(6) Uani 1 1 d . . . H23 H 0.027(4) 0.055(3) 0.0494(19) 0.031(11) Uiso 1 1 d . . . H24 H -0.112(4) 0.089(3) 0.0511(19) 0.030(11) Uiso 1 1 d . . . C14 C -0.0223(3) 0.1465(2) -0.02025(15) 0.0188(6) Uani 1 1 d . . . C15 C -0.1298(3) 0.1549(3) -0.06427(17) 0.0246(7) Uani 1 1 d . . . H25 H -0.2127 0.1409 -0.0553 0.030 Uiso 1 1 calc R . . C16 C -0.1141(4) 0.1840(3) -0.12139(17) 0.0296(8) Uani 1 1 d . . . H26 H -0.1862 0.1892 -0.1523 0.035 Uiso 1 1 calc R . . C17 C 0.0060(4) 0.2051(3) -0.13327(16) 0.0264(7) Uani 1 1 d . . . H27 H 0.0173 0.2237 -0.1727 0.032 Uiso 1 1 calc R . . C18 C 0.1122(3) 0.1994(2) -0.08747(15) 0.0212(7) Uani 1 1 d . . . C19 C 0.2445(3) 0.2243(3) -0.09814(15) 0.0237(7) Uani 1 1 d . . . H28 H 0.3035 0.2131 -0.0600 0.028 Uiso 1 1 calc R . . H29 H 0.2463 0.2955 -0.1068 0.028 Uiso 1 1 calc R . . C20 C 0.2616(6) 0.2192(4) -0.23307(19) 0.0506(13) Uani 1 1 d . . . H30 H 0.3004 0.1858 -0.2642 0.076 Uiso 1 1 calc R . . H31 H 0.2889 0.2881 -0.2305 0.076 Uiso 1 1 calc R . . H32 H 0.1681 0.2160 -0.2434 0.076 Uiso 1 1 calc R . . C21 C 0.2637(6) 0.0279(3) -0.1640(2) 0.0500(12) Uani 1 1 d . . . H33 H 0.1700 0.0238 -0.1714 0.075 Uiso 1 1 calc R . . H34 H 0.2968 -0.0051 -0.1261 0.075 Uiso 1 1 calc R . . H35 H 0.2980 -0.0042 -0.1970 0.075 Uiso 1 1 calc R . . C22 C 0.4898(5) 0.1692(4) -0.1406(3) 0.0511(13) Uani 1 1 d . . . H36 H 0.5195 0.1354 -0.1025 0.077 Uiso 1 1 calc R . . H37 H 0.5136 0.2388 -0.1366 0.077 Uiso 1 1 calc R . . H38 H 0.5297 0.1394 -0.1725 0.077 Uiso 1 1 calc R . . C23 C 0.2821(3) 0.2923(2) 0.18329(16) 0.0228(7) Uani 1 1 d . . . C24 C 0.1476(3) 0.3800(2) 0.02512(15) 0.0221(7) Uani 1 1 d . . . C25 C 0.3097(3) 0.0898(2) 0.12258(16) 0.0233(7) Uani 1 1 d . . . C26 C 0.3125(3) 0.0432(2) 0.01189(16) 0.0225(7) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ru1 0.01426(13) 0.01508(13) 0.01393(13) -0.00065(9) 0.00250(9) -0.00081(9) Ru2 0.01504(13) 0.01592(13) 0.01596(13) -0.00103(9) 0.00224(9) -0.00005(9) Si1 0.0136(4) 0.0228(4) 0.0211(4) -0.0035(3) 0.0038(3) -0.0022(3) Si2 0.0160(4) 0.0185(4) 0.0271(5) -0.0040(4) 0.0044(4) -0.0027(3) Si3 0.0170(4) 0.0176(4) 0.0176(4) -0.0008(3) 0.0050(3) -0.0028(3) Si4 0.0288(5) 0.0250(5) 0.0226(5) -0.0022(4) 0.0083(4) -0.0026(4) O1 0.0525(19) 0.0413(16) 0.0186(13) 0.0011(12) -0.0052(13) 0.0054(14) O2 0.0454(17) 0.0340(14) 0.0211(13) 0.0066(11) 0.0017(12) 0.0009(12) O3 0.0483(18) 0.0383(15) 0.0232(13) 0.0062(12) -0.0012(12) 0.0087(13) O4 0.0315(15) 0.0379(15) 0.0497(18) -0.0191(14) 0.0104(13) 0.0047(12) N1 0.0202(14) 0.0157(12) 0.0194(13) 0.0013(10) 0.0049(11) 0.0010(10) N2 0.0182(13) 0.0167(12) 0.0167(13) -0.0022(10) 0.0011(10) 0.0006(10) C1 0.0275(19) 0.039(2) 0.034(2) -0.0067(17) 0.0143(16) -0.0118(16) C2 0.0178(17) 0.038(2) 0.041(2) -0.0047(17) -0.0027(16) 0.0001(15) C3 0.035(2) 0.0224(17) 0.042(2) 0.0046(16) 0.0118(17) -0.0042(15) C4 0.0213(19) 0.034(2) 0.056(3) -0.0177(19) 0.0011(17) -0.0041(15) C5 0.0283(18) 0.0213(16) 0.0270(18) -0.0080(14) -0.0003(14) -0.0013(14) C6 0.0274(17) 0.0205(15) 0.0198(16) -0.0013(13) 0.0079(13) 0.0025(13) C7 0.037(2) 0.0230(16) 0.0229(17) -0.0016(14) 0.0101(15) 0.0054(15) C8 0.0325(19) 0.0248(17) 0.0321(19) 0.0018(15) 0.0172(16) 0.0078(14) C9 0.0203(17) 0.0247(16) 0.0342(19) 0.0015(15) 0.0091(14) 0.0026(13) C10 0.0203(16) 0.0208(15) 0.0224(16) 0.0029(13) 0.0069(13) 0.0029(12) C11 0.0170(16) 0.0237(16) 0.0322(19) -0.0035(14) 0.0030(14) -0.0008(13) C12 0.037(2) 0.0334(19) 0.0250(18) 0.0023(15) 0.0112(16) -0.0093(16) C13 0.0180(15) 0.0182(15) 0.0250(16) -0.0012(13) 0.0037(13) -0.0029(12) C14 0.0187(16) 0.0155(13) 0.0220(16) -0.0035(12) 0.0028(13) -0.0005(12) C15 0.0176(16) 0.0261(16) 0.0288(18) -0.0035(14) -0.0004(14) -0.0005(13) C16 0.0279(19) 0.0312(18) 0.0256(18) 0.0001(15) -0.0076(15) 0.0038(15) C17 0.0267(18) 0.0325(18) 0.0187(16) 0.0017(14) 0.0000(14) 0.0021(15) C18 0.0251(17) 0.0208(15) 0.0176(15) -0.0018(12) 0.0030(13) 0.0006(13) C19 0.0267(18) 0.0273(17) 0.0172(15) -0.0014(13) 0.0039(13) -0.0054(14) C20 0.070(4) 0.060(3) 0.025(2) 0.002(2) 0.019(2) 0.019(3) C21 0.076(4) 0.032(2) 0.048(3) -0.012(2) 0.027(2) -0.017(2) C22 0.032(2) 0.054(3) 0.070(3) -0.017(3) 0.017(2) 0.002(2) C23 0.0244(17) 0.0200(15) 0.0243(17) -0.0046(13) 0.0045(14) -0.0006(13) C24 0.0245(17) 0.0196(15) 0.0227(17) -0.0014(13) 0.0055(14) -0.0008(13) C25 0.0241(17) 0.0215(15) 0.0244(17) -0.0019(14) 0.0040(14) 0.0027(13) C26 0.0169(15) 0.0221(16) 0.0283(17) -0.0029(14) 0.0031(13) -0.0018(13) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ru1 C23 1.902(4) . ? Ru1 C24 1.926(3) . ? Ru1 N1 2.251(3) . ? Ru1 Si1 2.3716(9) . ? Ru1 Si2 2.4241(9) . ? Ru1 Si3 2.4504(9) . ? Ru1 Ru2 2.9313(3) . ? Ru2 C25 1.848(4) . ? Ru2 C26 1.866(3) . ? Ru2 N2 2.186(3) . ? Ru2 Si1 2.3726(9) . ? Ru2 Si3 2.7900(9) . ? Si1 C2 1.889(4) . ? Si1 C1 1.900(4) . ? Si2 C3 1.881(4) . ? Si2 C4 1.885(4) . ? Si2 C5 1.900(4) . ? Si3 C12 1.881(4) . ? Si3 C11 1.895(4) . ? Si3 C13 1.942(3) . ? Si4 C21 1.850(4) . ? Si4 C22 1.854(5) . ? Si4 C20 1.857(5) . ? Si4 C19 1.892(4) . ? O1 C23 1.150(4) . ? O2 C24 1.143(4) . ? O3 C25 1.141(4) . ? O4 C26 1.146(4) . ? N1 C10 1.358(4) . ? N1 C6 1.362(4) . ? N2 C18 1.353(4) . ? N2 C14 1.362(4) . ? C1 H1 0.9800 . ? C1 H2 0.9800 . ? C1 H3 0.9800 . ? C2 H4 0.9800 . ? C2 H5 0.9800 . ? C2 H6 0.9800 . ? C3 H7 0.9800 . ? C3 H8 0.9800 . ? C3 H9 0.9800 . ? C4 H10 0.9800 . ? C4 H11 0.9800 . ? C4 H12 0.9800 . ? C5 C6 1.488(5) . ? C5 H13 0.9900 . ? C5 H14 0.9900 . ? C6 C7 1.398(5) . ? C7 C8 1.367(6) . ? C7 H15 0.9500 . ? C8 C9 1.387(5) . ? C8 H16 0.9500 . ? C9 C10 1.383(5) . ? C9 H17 0.9500 . ? C10 C11 1.492(5) . ? C11 H18 0.9900 . ? C11 H19 0.9900 . ? C12 H20 0.9800 . ? C12 H21 0.9800 . ? C12 H22 0.9800 . ? C13 C14 1.490(5) . ? C13 H23 0.94(5) . ? C13 H24 1.02(5) . ? C14 C15 1.390(5) . ? C15 C16 1.383(5) . ? C15 H25 0.9500 . ? C16 C17 1.370(6) . ? C16 H26 0.9500 . ? C17 C18 1.401(5) . ? C17 H27 0.9500 . ? C18 C19 1.497(5) . ? C19 H28 0.9900 . ? C19 H29 0.9900 . ? C20 H30 0.9800 . ? C20 H31 0.9800 . ? C20 H32 0.9800 . ? C21 H33 0.9800 . ? C21 H34 0.9800 . ? C21 H35 0.9800 . ? C22 H36 0.9800 . ? C22 H37 0.9800 . ? C22 H38 0.9800 . ? 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 C23 Ru1 C24 170.38(15) . . ? C23 Ru1 N1 94.80(13) . . ? C24 Ru1 N1 91.46(12) . . ? C23 Ru1 Si1 85.08(11) . . ? C24 Ru1 Si1 87.48(11) . . ? N1 Ru1 Si1 170.02(7) . . ? C23 Ru1 Si2 85.79(10) . . ? C24 Ru1 Si2 88.39(10) . . ? N1 Ru1 Si2 78.04(7) . . ? Si1 Ru1 Si2 92.01(3) . . ? C23 Ru1 Si3 93.59(11) . . ? C24 Ru1 Si3 94.94(10) . . ? N1 Ru1 Si3 76.83(7) . . ? Si1 Ru1 Si3 113.15(3) . . ? Si2 Ru1 Si3 154.71(3) . . ? C23 Ru1 Ru2 94.18(10) . . ? C24 Ru1 Ru2 85.98(10) . . ? N1 Ru1 Ru2 137.98(7) . . ? Si1 Ru1 Ru2 51.86(2) . . ? Si2 Ru1 Ru2 143.59(3) . . ? Si3 Ru1 Ru2 61.69(2) . . ? C25 Ru2 C26 88.04(15) . . ? C25 Ru2 N2 162.60(13) . . ? C26 Ru2 N2 91.70(13) . . ? C25 Ru2 Si1 84.32(11) . . ? C26 Ru2 Si1 106.01(10) . . ? N2 Ru2 Si1 112.38(7) . . ? C25 Ru2 Si3 91.28(11) . . ? C26 Ru2 Si3 151.62(10) . . ? N2 Ru2 Si3 80.75(8) . . ? Si1 Ru2 Si3 102.14(3) . . ? C25 Ru2 Ru1 91.36(10) . . ? C26 Ru2 Ru1 157.72(10) . . ? N2 Ru2 Ru1 95.37(7) . . ? Si1 Ru2 Ru1 51.82(2) . . ? Si3 Ru2 Ru1 50.645(19) . . ? C2 Si1 C1 101.04(19) . . ? C2 Si1 Ru1 123.06(14) . . ? C1 Si1 Ru1 119.52(14) . . ? C2 Si1 Ru2 115.51(13) . . ? C1 Si1 Ru2 121.88(13) . . ? Ru1 Si1 Ru2 76.32(3) . . ? C3 Si2 C4 106.1(2) . . ? C3 Si2 C5 107.02(18) . . ? C4 Si2 C5 106.51(18) . . ? C3 Si2 Ru1 115.46(13) . . ? C4 Si2 Ru1 123.27(13) . . ? C5 Si2 Ru1 96.64(11) . . ? C12 Si3 C11 107.61(18) . . ? C12 Si3 C13 105.17(16) . . ? C11 Si3 C13 100.85(15) . . ? C12 Si3 Ru1 115.36(13) . . ? C11 Si3 Ru1 95.27(11) . . ? C13 Si3 Ru1 128.98(11) . . ? C12 Si3 Ru2 114.88(14) . . ? C11 Si3 Ru2 137.50(12) . . ? C13 Si3 Ru2 67.90(11) . . ? Ru1 Si3 Ru2 67.66(2) . . ? C21 Si4 C22 110.9(3) . . ? C21 Si4 C20 109.9(3) . . ? C22 Si4 C20 108.2(3) . . ? C21 Si4 C19 110.9(2) . . ? C22 Si4 C19 106.5(2) . . ? C20 Si4 C19 110.37(19) . . ? C10 N1 C6 119.4(3) . . ? C10 N1 Ru1 120.3(2) . . ? C6 N1 Ru1 120.3(2) . . ? C18 N2 C14 120.1(3) . . ? C18 N2 Ru2 132.3(2) . . ? C14 N2 Ru2 107.4(2) . . ? Si1 C1 H1 109.5 . . ? Si1 C1 H2 109.5 . . ? H1 C1 H2 109.5 . . ? Si1 C1 H3 109.5 . . ? H1 C1 H3 109.5 . . ? H2 C1 H3 109.5 . . ? Si1 C2 H4 109.5 . . ? Si1 C2 H5 109.5 . . ? H4 C2 H5 109.5 . . ? Si1 C2 H6 109.5 . . ? H4 C2 H6 109.5 . . ? H5 C2 H6 109.5 . . ? Si2 C3 H7 109.5 . . ? Si2 C3 H8 109.5 . . ? H7 C3 H8 109.5 . . ? Si2 C3 H9 109.5 . . ? H7 C3 H9 109.5 . . ? H8 C3 H9 109.5 . . ? Si2 C4 H10 109.5 . . ? Si2 C4 H11 109.5 . . ? H10 C4 H11 109.5 . . ? Si2 C4 H12 109.5 . . ? H10 C4 H12 109.5 . . ? H11 C4 H12 109.5 . . ? C6 C5 Si2 110.1(2) . . ? C6 C5 H13 109.6 . . ? Si2 C5 H13 109.6 . . ? C6 C5 H14 109.6 . . ? Si2 C5 H14 109.6 . . ? H13 C5 H14 108.2 . . ? N1 C6 C7 120.4(3) . . ? N1 C6 C5 117.6(3) . . ? C7 C6 C5 122.0(3) . . ? C8 C7 C6 120.3(3) . . ? C8 C7 H15 119.9 . . ? C6 C7 H15 119.9 . . ? C7 C8 C9 118.9(3) . . ? C7 C8 H16 120.5 . . ? C9 C8 H16 120.5 . . ? C10 C9 C8 119.8(3) . . ? C10 C9 H17 120.1 . . ? C8 C9 H17 120.1 . . ? N1 C10 C9 121.2(3) . . ? N1 C10 C11 117.1(3) . . ? C9 C10 C11 121.7(3) . . ? C10 C11 Si3 109.9(2) . . ? C10 C11 H18 109.7 . . ? Si3 C11 H18 109.7 . . ? C10 C11 H19 109.7 . . ? Si3 C11 H19 109.7 . . ? H18 C11 H19 108.2 . . ? Si3 C12 H20 109.5 . . ? Si3 C12 H21 109.5 . . ? H20 C12 H21 109.5 . . ? Si3 C12 H22 109.5 . . ? H20 C12 H22 109.5 . . ? H21 C12 H22 109.5 . . ? C14 C13 Si3 112.4(2) . . ? C14 C13 H23 109(3) . . ? Si3 C13 H23 111(3) . . ? C14 C13 H24 116(2) . . ? Si3 C13 H24 104(2) . . ? H23 C13 H24 104(3) . . ? N2 C14 C15 121.2(3) . . ? N2 C14 C13 114.6(3) . . ? C15 C14 C13 124.2(3) . . ? C16 C15 C14 118.8(3) . . ? C16 C15 H25 120.6 . . ? C14 C15 H25 120.6 . . ? C17 C16 C15 119.8(3) . . ? C17 C16 H26 120.1 . . ? C15 C16 H26 120.1 . . ? C16 C17 C18 120.2(3) . . ? C16 C17 H27 119.9 . . ? C18 C17 H27 119.9 . . ? N2 C18 C17 119.8(3) . . ? N2 C18 C19 118.3(3) . . ? C17 C18 C19 121.9(3) . . ? C18 C19 Si4 119.3(2) . . ? C18 C19 H28 107.5 . . ? Si4 C19 H28 107.5 . . ? C18 C19 H29 107.5 . . ? Si4 C19 H29 107.5 . . ? H28 C19 H29 107.0 . . ? Si4 C20 H30 109.5 . . ? Si4 C20 H31 109.5 . . ? H30 C20 H31 109.5 . . ? Si4 C20 H32 109.5 . . ? H30 C20 H32 109.5 . . ? H31 C20 H32 109.5 . . ? Si4 C21 H33 109.5 . . ? Si4 C21 H34 109.5 . . ? H33 C21 H34 109.5 . . ? Si4 C21 H35 109.5 . . ? H33 C21 H35 109.5 . . ? H34 C21 H35 109.5 . . ? Si4 C22 H36 109.5 . . ? Si4 C22 H37 109.5 . . ? H36 C22 H37 109.5 . . ? Si4 C22 H38 109.5 . . ? H36 C22 H38 109.5 . . ? H37 C22 H38 109.5 . . ? O1 C23 Ru1 177.6(3) . . ? O2 C24 Ru1 178.7(3) . . ? O3 C25 Ru2 175.3(3) . . ? O4 C26 Ru2 177.7(3) . . ? 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 C23 Ru1 Ru2 C25 1.28(15) . . . . ? C24 Ru1 Ru2 C25 171.64(15) . . . . ? N1 Ru1 Ru2 C25 -100.64(15) . . . . ? Si1 Ru1 Ru2 C25 81.69(12) . . . . ? Si2 Ru1 Ru2 C25 89.86(12) . . . . ? Si3 Ru1 Ru2 C25 -90.54(12) . . . . ? C23 Ru1 Ru2 C26 -86.9(3) . . . . ? C24 Ru1 Ru2 C26 83.5(3) . . . . ? N1 Ru1 Ru2 C26 171.2(3) . . . . ? Si1 Ru1 Ru2 C26 -6.4(3) . . . . ? Si2 Ru1 Ru2 C26 1.7(3) . . . . ? Si3 Ru1 Ru2 C26 -178.7(3) . . . . ? C23 Ru1 Ru2 N2 165.22(13) . . . . ? C24 Ru1 Ru2 N2 -24.42(13) . . . . ? N1 Ru1 Ru2 N2 63.30(13) . . . . ? Si1 Ru1 Ru2 N2 -114.37(8) . . . . ? Si2 Ru1 Ru2 N2 -106.21(9) . . . . ? Si3 Ru1 Ru2 N2 73.39(8) . . . . ? C23 Ru1 Ru2 Si1 -80.41(11) . . . . ? C24 Ru1 Ru2 Si1 89.95(11) . . . . ? N1 Ru1 Ru2 Si1 177.67(11) . . . . ? Si2 Ru1 Ru2 Si1 8.17(5) . . . . ? Si3 Ru1 Ru2 Si1 -172.24(4) . . . . ? C23 Ru1 Ru2 Si3 91.83(11) . . . . ? C24 Ru1 Ru2 Si3 -97.81(11) . . . . ? N1 Ru1 Ru2 Si3 -10.09(11) . . . . ? Si1 Ru1 Ru2 Si3 172.24(4) . . . . ? Si2 Ru1 Ru2 Si3 -179.60(5) . . . . ? C23 Ru1 Si1 C2 -12.50(19) . . . . ? C24 Ru1 Si1 C2 161.39(19) . . . . ? Si2 Ru1 Si1 C2 73.09(16) . . . . ? Si3 Ru1 Si1 C2 -104.31(16) . . . . ? Ru2 Ru1 Si1 C2 -111.74(16) . . . . ? C23 Ru1 Si1 C1 -141.62(18) . . . . ? C24 Ru1 Si1 C1 32.27(18) . . . . ? Si2 Ru1 Si1 C1 -56.02(15) . . . . ? Si3 Ru1 Si1 C1 126.57(15) . . . . ? Ru2 Ru1 Si1 C1 119.14(15) . . . . ? C23 Ru1 Si1 Ru2 99.24(10) . . . . ? C24 Ru1 Si1 Ru2 -86.87(10) . . . . ? Si2 Ru1 Si1 Ru2 -175.16(3) . . . . ? Si3 Ru1 Si1 Ru2 7.43(4) . . . . ? C25 Ru2 Si1 C2 24.16(19) . . . . ? C26 Ru2 Si1 C2 -62.15(19) . . . . ? N2 Ru2 Si1 C2 -160.86(17) . . . . ? Si3 Ru2 Si1 C2 114.26(16) . . . . ? Ru1 Ru2 Si1 C2 120.39(16) . . . . ? C25 Ru2 Si1 C1 147.30(19) . . . . ? C26 Ru2 Si1 C1 61.0(2) . . . . ? N2 Ru2 Si1 C1 -37.72(18) . . . . ? Si3 Ru2 Si1 C1 -122.61(16) . . . . ? Ru1 Ru2 Si1 C1 -116.47(16) . . . . ? C25 Ru2 Si1 Ru1 -96.22(11) . . . . ? C26 Ru2 Si1 Ru1 177.46(11) . . . . ? N2 Ru2 Si1 Ru1 78.75(8) . . . . ? Si3 Ru2 Si1 Ru1 -6.13(3) . . . . ? C23 Ru1 Si2 C3 -178.37(18) . . . . ? C24 Ru1 Si2 C3 9.29(18) . . . . ? N1 Ru1 Si2 C3 -82.55(16) . . . . ? Si1 Ru1 Si2 C3 96.71(15) . . . . ? Si3 Ru1 Si2 C3 -88.88(17) . . . . ? Ru2 Ru1 Si2 C3 90.29(15) . . . . ? C23 Ru1 Si2 C4 48.8(2) . . . . ? C24 Ru1 Si2 C4 -123.5(2) . . . . ? N1 Ru1 Si2 C4 144.6(2) . . . . ? Si1 Ru1 Si2 C4 -36.10(19) . . . . ? Si3 Ru1 Si2 C4 138.31(19) . . . . ? Ru2 Ru1 Si2 C4 -42.5(2) . . . . ? C23 Ru1 Si2 C5 -65.93(16) . . . . ? C24 Ru1 Si2 C5 121.73(16) . . . . ? N1 Ru1 Si2 C5 29.89(13) . . . . ? Si1 Ru1 Si2 C5 -150.85(12) . . . . ? Si3 Ru1 Si2 C5 23.56(15) . . . . ? Ru2 Ru1 Si2 C5 -157.26(11) . . . . ? C23 Ru1 Si3 C12 15.16(18) . . . . ? C24 Ru1 Si3 C12 -169.29(18) . . . . ? N1 Ru1 Si3 C12 -78.94(17) . . . . ? Si1 Ru1 Si3 C12 101.34(15) . . . . ? Si2 Ru1 Si3 C12 -72.58(17) . . . . ? Ru2 Ru1 Si3 C12 107.98(15) . . . . ? C23 Ru1 Si3 C11 127.50(16) . . . . ? C24 Ru1 Si3 C11 -56.95(16) . . . . ? N1 Ru1 Si3 C11 33.40(14) . . . . ? Si1 Ru1 Si3 C11 -146.32(12) . . . . ? Si2 Ru1 Si3 C11 39.76(15) . . . . ? Ru2 Ru1 Si3 C11 -139.68(12) . . . . ? C23 Ru1 Si3 C13 -123.97(17) . . . . ? C24 Ru1 Si3 C13 51.59(17) . . . . ? N1 Ru1 Si3 C13 141.93(16) . . . . ? Si1 Ru1 Si3 C13 -37.78(14) . . . . ? Si2 Ru1 Si3 C13 148.30(15) . . . . ? Ru2 Ru1 Si3 C13 -31.15(14) . . . . ? C23 Ru1 Si3 Ru2 -92.82(10) . . . . ? C24 Ru1 Si3 Ru2 82.73(10) . . . . ? N1 Ru1 Si3 Ru2 173.08(7) . . . . ? Si1 Ru1 Si3 Ru2 -6.64(3) . . . . ? Si2 Ru1 Si3 Ru2 179.44(7) . . . . ? C25 Ru2 Si3 C12 -17.95(17) . . . . ? C26 Ru2 Si3 C12 70.3(3) . . . . ? N2 Ru2 Si3 C12 146.51(15) . . . . ? Si1 Ru2 Si3 C12 -102.42(14) . . . . ? Ru1 Ru2 Si3 C12 -108.66(14) . . . . ? C25 Ru2 Si3 C11 163.17(19) . . . . ? C26 Ru2 Si3 C11 -108.6(3) . . . . ? N2 Ru2 Si3 C11 -32.37(18) . . . . ? Si1 Ru2 Si3 C11 78.70(16) . . . . ? Ru1 Ru2 Si3 C11 72.47(16) . . . . ? C25 Ru2 Si3 C13 -115.02(15) . . . . ? C26 Ru2 Si3 C13 -26.8(3) . . . . ? N2 Ru2 Si3 C13 49.44(13) . . . . ? Si1 Ru2 Si3 C13 160.52(11) . . . . ? Ru1 Ru2 Si3 C13 154.28(11) . . . . ? C25 Ru2 Si3 Ru1 90.70(11) . . . . ? C26 Ru2 Si3 Ru1 178.9(2) . . . . ? N2 Ru2 Si3 Ru1 -104.84(7) . . . . ? Si1 Ru2 Si3 Ru1 6.24(3) . . . . ? C23 Ru1 N1 C10 -119.8(3) . . . . ? C24 Ru1 N1 C10 67.5(3) . . . . ? Si2 Ru1 N1 C10 155.5(2) . . . . ? Si3 Ru1 N1 C10 -27.3(2) . . . . ? Ru2 Ru1 N1 C10 -18.1(3) . . . . ? C23 Ru1 N1 C6 62.8(3) . . . . ? C24 Ru1 N1 C6 -109.9(3) . . . . ? Si2 Ru1 N1 C6 -21.9(2) . . . . ? Si3 Ru1 N1 C6 155.3(2) . . . . ? Ru2 Ru1 N1 C6 164.45(19) . . . . ? C25 Ru2 N2 C18 -148.2(4) . . . . ? C26 Ru2 N2 C18 -59.4(3) . . . . ? Si1 Ru2 N2 C18 48.7(3) . . . . ? Si3 Ru2 N2 C18 148.1(3) . . . . ? Ru1 Ru2 N2 C18 99.5(3) . . . . ? C25 Ru2 N2 C14 26.1(5) . . . . ? C26 Ru2 N2 C14 114.9(2) . . . . ? Si1 Ru2 N2 C14 -136.98(18) . . . . ? Si3 Ru2 N2 C14 -37.57(19) . . . . ? Ru1 Ru2 N2 C14 -86.23(19) . . . . ? C3 Si2 C5 C6 76.9(3) . . . . ? C4 Si2 C5 C6 -169.9(3) . . . . ? Ru1 Si2 C5 C6 -42.3(2) . . . . ? C10 N1 C6 C7 1.1(5) . . . . ? Ru1 N1 C6 C7 178.5(2) . . . . ? C10 N1 C6 C5 -179.0(3) . . . . ? Ru1 N1 C6 C5 -1.5(4) . . . . ? Si2 C5 C6 N1 32.3(4) . . . . ? Si2 C5 C6 C7 -147.8(3) . . . . ? N1 C6 C7 C8 -1.5(5) . . . . ? C5 C6 C7 C8 178.5(3) . . . . ? C6 C7 C8 C9 0.0(5) . . . . ? C7 C8 C9 C10 1.8(5) . . . . ? C6 N1 C10 C9 0.8(5) . . . . ? Ru1 N1 C10 C9 -176.6(3) . . . . ? C6 N1 C10 C11 -179.0(3) . . . . ? Ru1 N1 C10 C11 3.6(4) . . . . ? C8 C9 C10 N1 -2.3(5) . . . . ? C8 C9 C10 C11 177.5(3) . . . . ? N1 C10 C11 Si3 31.6(4) . . . . ? C9 C10 C11 Si3 -148.2(3) . . . . ? C12 Si3 C11 C10 73.6(3) . . . . ? C13 Si3 C11 C10 -176.5(2) . . . . ? Ru1 Si3 C11 C10 -45.1(2) . . . . ? Ru2 Si3 C11 C10 -107.4(2) . . . . ? C12 Si3 C13 C14 177.7(3) . . . . ? C11 Si3 C13 C14 65.9(3) . . . . ? Ru1 Si3 C13 C14 -40.1(3) . . . . ? Ru2 Si3 C13 C14 -71.2(2) . . . . ? C18 N2 C14 C15 -3.4(5) . . . . ? Ru2 N2 C14 C15 -178.5(2) . . . . ? C18 N2 C14 C13 176.9(3) . . . . ? Ru2 N2 C14 C13 1.8(3) . . . . ? Si3 C13 C14 N2 63.6(3) . . . . ? Si3 C13 C14 C15 -116.1(3) . . . . ? N2 C14 C15 C16 3.3(5) . . . . ? C13 C14 C15 C16 -177.0(3) . . . . ? C14 C15 C16 C17 -0.9(5) . . . . ? C15 C16 C17 C18 -1.4(6) . . . . ? C14 N2 C18 C17 1.0(5) . . . . ? Ru2 N2 C18 C17 174.8(2) . . . . ? C14 N2 C18 C19 -179.2(3) . . . . ? Ru2 N2 C18 C19 -5.4(5) . . . . ? C16 C17 C18 N2 1.3(5) . . . . ? C16 C17 C18 C19 -178.5(3) . . . . ? N2 C18 C19 Si4 124.3(3) . . . . ? C17 C18 C19 Si4 -55.9(4) . . . . ? C21 Si4 C19 C18 -37.3(4) . . . . ? C22 Si4 C19 C18 -158.1(3) . . . . ? C20 Si4 C19 C18 84.7(3) . . . . ? #===END