data_global _journal_name_full Chem.Commun. _journal_coden_Cambridge 0182 _publ_contact_author_name 'Dr Georgii I. Nikonov' _publ_contact_author_address ; Chemistry Department Moscow State University Vorob'evy Gory Moscow 119992 RUSSIAN FEDERATION ; _publ_contact_author_email NIKONOV@ORG.CHEM.MSU.SU _publ_section_title ; Cp*(Pri3P)Ru(Cl)(n2-HSiClMe2): the first complex with simultaneous SiH and RuClSiCl interligand interactions ; loop_ _publ_author_name 'Georgii I. Nikonov' 'Konstantin Yu Dorogov' 'Judith A. K. Howard' 'Lydmila G. Kuzmina' ; D.A.Lemenovskii ; 'Alexander L. Osipov' 'Sergei F. Vyboishchikov' data_ru _database_code_depnum_ccdc_archive 'CCDC 261259' _chemical_formula_sum 'C21 H43 Cl2 P Ru Si' _chemical_formula_weight 526.58 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' Si Si 0.0817 0.0704 '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' Cl Cl 0.1484 0.1585 '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 P2(1)/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 10.9544(3) _cell_length_b 15.0911(4) _cell_length_c 15.4986(4) _cell_angle_alpha 90.00 _cell_angle_beta 99.8980(10) _cell_angle_gamma 90.00 _cell_volume 2524.00(12) _cell_formula_units_Z 4 _cell_measurement_temperature 123(2) _cell_measurement_reflns_used 4995 _cell_measurement_theta_min 2.321 _cell_measurement_theta_max 30.401 _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.24 _exptl_crystal_size_mid 0.22 _exptl_crystal_size_min 0.18 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.386 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1104 _exptl_absorpt_coefficient_mu 0.948 _exptl_absorpt_correction_type SADABS _exptl_absorpt_correction_T_min 0.8044 _exptl_absorpt_correction_T_max 0.8478 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 123(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 14754 _diffrn_reflns_av_R_equivalents 0.0327 _diffrn_reflns_av_sigmaI/netI 0.0578 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_theta_min 1.89 _diffrn_reflns_theta_max 29.00 _reflns_number_total 6694 _reflns_number_gt 5320 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _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^)+(0.0182P)^2^+0.8168P] 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 refall _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 6694 _refine_ls_number_parameters 239 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0490 _refine_ls_R_factor_gt 0.0339 _refine_ls_wR_factor_ref 0.0859 _refine_ls_wR_factor_gt 0.0797 _refine_ls_goodness_of_fit_ref 1.069 _refine_ls_restrained_S_all 1.069 _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 0.724789(16) 0.561806(11) 0.229047(12) 0.01809(6) Uani 1 1 d . . . Cl1 Cl 0.87338(6) 0.44697(4) 0.27919(4) 0.02954(14) Uani 1 1 d . . . Cl2 Cl 0.57731(7) 0.63861(5) 0.42272(5) 0.03881(16) Uani 1 1 d . . . P1 P 0.89547(6) 0.65982(4) 0.23042(4) 0.02139(13) Uani 1 1 d . . . Si1 Si 0.70879(7) 0.54902(5) 0.38094(5) 0.02732(15) Uani 1 1 d . . . C1 C 0.5524(2) 0.60309(17) 0.13903(18) 0.0289(6) Uani 1 1 d . . . C2 C 0.5243(2) 0.52959(18) 0.19015(18) 0.0304(6) Uani 1 1 d . . . C3 C 0.5937(2) 0.45537(16) 0.17005(17) 0.0257(5) Uani 1 1 d . . . C4 C 0.6622(2) 0.48303(15) 0.10208(16) 0.0245(5) Uani 1 1 d . . . C5 C 0.6325(2) 0.57255(16) 0.08123(16) 0.0266(5) Uani 1 1 d . . . C6 C 0.4826(3) 0.68914(19) 0.1322(2) 0.0447(8) Uani 1 1 d . . . H6A H 0.5124 0.7274 0.0891 0.067 Uiso 1 1 calc R . . H6B H 0.4961 0.7186 0.1894 0.067 Uiso 1 1 calc R . . H6C H 0.3940 0.6776 0.1136 0.067 Uiso 1 1 calc R . . C7 C 0.4191(3) 0.5281(2) 0.2407(2) 0.0481(8) Uani 1 1 d . . . H7A H 0.3428 0.5103 0.2018 0.072 Uiso 1 1 calc R . . H7B H 0.4082 0.5873 0.2642 0.072 Uiso 1 1 calc R . . H7C H 0.4375 0.4857 0.2891 0.072 Uiso 1 1 calc R . . C8 C 0.5882(3) 0.36186(17) 0.2015(2) 0.0398(7) Uani 1 1 d . . . H8A H 0.6644 0.3480 0.2423 0.060 Uiso 1 1 calc R . . H8B H 0.5796 0.3214 0.1513 0.060 Uiso 1 1 calc R . . H8C H 0.5168 0.3550 0.2313 0.060 Uiso 1 1 calc R . . C9 C 0.7355(3) 0.42047(18) 0.05642(19) 0.0353(6) Uani 1 1 d . . . H9A H 0.7536 0.4483 0.0029 0.053 Uiso 1 1 calc R . . H9B H 0.6877 0.3661 0.0413 0.053 Uiso 1 1 calc R . . H9C H 0.8134 0.4060 0.0952 0.053 Uiso 1 1 calc R . . C10 C 0.6641(3) 0.62156(19) 0.00400(18) 0.0396(7) Uani 1 1 d . . . H10A H 0.6017 0.6089 -0.0478 0.059 Uiso 1 1 calc R . . H10B H 0.7458 0.6025 -0.0067 0.059 Uiso 1 1 calc R . . H10C H 0.6656 0.6854 0.0159 0.059 Uiso 1 1 calc R . . C11 C 0.9519(2) 0.66631(16) 0.12380(17) 0.0285(5) Uani 1 1 d . . . H11A H 0.8791 0.6876 0.0809 0.034 Uiso 1 1 calc R . . C12 C 0.9849(3) 0.57595(18) 0.0883(2) 0.0378(7) Uani 1 1 d . . . H12C H 1.0750 0.5677 0.1008 0.057 Uiso 1 1 calc R . . H12A H 0.9560 0.5738 0.0249 0.057 Uiso 1 1 calc R . . H12B H 0.9448 0.5288 0.1167 0.057 Uiso 1 1 calc R . . C13 C 1.0551(3) 0.73396(19) 0.11784(19) 0.0408(7) Uani 1 1 d . . . H13A H 1.0773 0.7316 0.0593 0.061 Uiso 1 1 calc R . . H13B H 1.1280 0.7198 0.1618 0.061 Uiso 1 1 calc R . . H13C H 1.0257 0.7936 0.1287 0.061 Uiso 1 1 calc R . . C14 C 0.8610(2) 0.77883(15) 0.24771(16) 0.0267(5) Uani 1 1 d . . . H14A H 0.9404 0.8125 0.2511 0.032 Uiso 1 1 calc R . . C15 C 0.8115(3) 0.79611(18) 0.33274(18) 0.0369(6) Uani 1 1 d . . . H15A H 0.7956 0.8596 0.3381 0.055 Uiso 1 1 calc R . . H15B H 0.8730 0.7767 0.3828 0.055 Uiso 1 1 calc R . . H15C H 0.7343 0.7630 0.3318 0.055 Uiso 1 1 calc R . . C16 C 0.7688(3) 0.81737(17) 0.17152(19) 0.0377(7) Uani 1 1 d . . . H16A H 0.7535 0.8798 0.1833 0.057 Uiso 1 1 calc R . . H16B H 0.6907 0.7844 0.1652 0.057 Uiso 1 1 calc R . . H16C H 0.8030 0.8125 0.1173 0.057 Uiso 1 1 calc R . . C17 C 1.0344(2) 0.63778(18) 0.31723(18) 0.0302(6) Uani 1 1 d . . . H17A H 1.0021 0.6095 0.3671 0.036 Uiso 1 1 calc R . . C18 C 1.1269(3) 0.5720(2) 0.2898(2) 0.0457(8) Uani 1 1 d . . . H18A H 1.1962 0.5637 0.3383 0.069 Uiso 1 1 calc R . . H18B H 1.1581 0.5952 0.2387 0.069 Uiso 1 1 calc R . . H18C H 1.0856 0.5151 0.2750 0.069 Uiso 1 1 calc R . . C19 C 1.1071(3) 0.7199(2) 0.3552(2) 0.0438(7) Uani 1 1 d . . . H19A H 1.1771 0.7015 0.3998 0.066 Uiso 1 1 calc R . . H19B H 1.0525 0.7589 0.3818 0.066 Uiso 1 1 calc R . . H19C H 1.1381 0.7516 0.3082 0.066 Uiso 1 1 calc R . . C20 C 0.8475(3) 0.5714(2) 0.46699(17) 0.0376(7) Uani 1 1 d . . . H20A H 0.8253 0.5633 0.5251 0.056 Uiso 1 1 calc R . . H20B H 0.8755 0.6325 0.4612 0.056 Uiso 1 1 calc R . . H20C H 0.9142 0.5303 0.4597 0.056 Uiso 1 1 calc R . . C21 C 0.6501(4) 0.43908(19) 0.4146(2) 0.0476(8) Uani 1 1 d . . . H21A H 0.6468 0.4401 0.4774 0.071 Uiso 1 1 calc R . . H21B H 0.7060 0.3918 0.4025 0.071 Uiso 1 1 calc R . . H21C H 0.5669 0.4282 0.3815 0.071 Uiso 1 1 calc R . . H1 H 0.701(3) 0.6422(18) 0.2835(19) 0.037(8) 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 Ru1 0.01883(9) 0.01642(9) 0.02021(10) -0.00003(7) 0.00670(7) -0.00004(7) Cl1 0.0314(3) 0.0225(3) 0.0337(3) 0.0012(2) 0.0027(2) 0.0075(2) Cl2 0.0420(4) 0.0409(4) 0.0399(4) -0.0070(3) 0.0250(3) 0.0003(3) P1 0.0217(3) 0.0203(3) 0.0242(3) -0.0040(2) 0.0098(2) -0.0022(2) Si1 0.0348(4) 0.0267(3) 0.0233(3) 0.0015(3) 0.0130(3) -0.0008(3) C1 0.0231(12) 0.0247(12) 0.0363(14) -0.0050(11) -0.0023(10) 0.0013(10) C2 0.0201(12) 0.0355(14) 0.0361(14) -0.0059(12) 0.0063(10) -0.0034(11) C3 0.0238(12) 0.0227(11) 0.0293(12) -0.0040(10) 0.0011(10) -0.0029(9) C4 0.0261(12) 0.0222(11) 0.0245(12) -0.0042(10) 0.0021(9) -0.0002(9) C5 0.0270(12) 0.0266(12) 0.0241(12) -0.0007(10) -0.0017(9) -0.0006(10) C6 0.0364(16) 0.0374(15) 0.0539(19) -0.0122(14) -0.0101(14) 0.0122(13) C7 0.0228(14) 0.069(2) 0.056(2) -0.0127(17) 0.0169(13) -0.0090(14) C8 0.0469(17) 0.0253(13) 0.0471(17) 0.0015(12) 0.0078(14) -0.0135(12) C9 0.0386(15) 0.0316(14) 0.0362(15) -0.0118(12) 0.0079(12) 0.0026(12) C10 0.0509(18) 0.0369(15) 0.0275(14) 0.0058(12) -0.0029(12) -0.0047(13) C11 0.0331(14) 0.0277(12) 0.0286(13) -0.0080(10) 0.0165(10) -0.0087(11) C12 0.0384(16) 0.0368(15) 0.0436(16) -0.0154(13) 0.0225(13) -0.0046(12) C13 0.0509(18) 0.0413(16) 0.0372(15) -0.0119(13) 0.0274(13) -0.0187(14) C14 0.0333(13) 0.0205(11) 0.0296(13) -0.0065(10) 0.0149(10) -0.0053(10) C15 0.0514(18) 0.0263(13) 0.0388(15) -0.0079(12) 0.0245(13) -0.0035(12) C16 0.0508(18) 0.0200(12) 0.0437(16) 0.0005(12) 0.0120(13) 0.0022(12) C17 0.0215(12) 0.0366(14) 0.0324(14) -0.0041(11) 0.0041(10) -0.0033(11) C18 0.0232(14) 0.0547(19) 0.058(2) -0.0048(16) 0.0042(13) 0.0043(13) C19 0.0344(16) 0.0530(18) 0.0417(17) -0.0056(14) 0.0006(13) -0.0127(14) C20 0.0454(17) 0.0466(17) 0.0207(12) 0.0032(12) 0.0049(11) 0.0068(14) C21 0.074(2) 0.0349(15) 0.0394(16) 0.0055(13) 0.0253(16) -0.0101(15) _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 C2 2.229(2) . ? Ru1 C1 2.235(2) . ? Ru1 C3 2.242(2) . ? Ru1 C4 2.301(2) . ? Ru1 C5 2.345(2) . ? Ru1 P1 2.3813(6) . ? Ru1 Si1 2.3982(7) . ? Ru1 Cl1 2.4129(6) . ? Ru1 H1 1.52(3) . ? Cl2 Si1 2.1547(10) . ? P1 C11 1.864(3) . ? P1 C14 1.864(2) . ? P1 C17 1.880(3) . ? Si1 C20 1.872(3) . ? Si1 C21 1.885(3) . ? C1 C2 1.427(4) . ? C1 C5 1.434(4) . ? C1 C6 1.501(4) . ? C2 C3 1.419(4) . ? C2 C7 1.500(4) . ? C3 C4 1.455(4) . ? C3 C8 1.497(3) . ? C4 C5 1.414(3) . ? C4 C9 1.495(4) . ? C5 C10 1.497(4) . ? C6 H6A 0.9800 . ? C6 H6B 0.9800 . ? C6 H6C 0.9800 . ? C7 H7A 0.9800 . ? C7 H7B 0.9800 . ? C7 H7C 0.9800 . ? C8 H8A 0.9800 . ? C8 H8B 0.9800 . ? C8 H8C 0.9800 . ? C9 H9A 0.9800 . ? C9 H9B 0.9800 . ? C9 H9C 0.9800 . ? C10 H10A 0.9800 . ? C10 H10B 0.9800 . ? C10 H10C 0.9800 . ? C11 C12 1.536(3) . ? C11 C13 1.537(4) . ? C11 H11A 1.0000 . ? C12 H12C 0.9800 . ? C12 H12A 0.9800 . ? C12 H12B 0.9800 . ? C13 H13A 0.9800 . ? C13 H13B 0.9800 . ? C13 H13C 0.9800 . ? C14 C16 1.531(4) . ? C14 C15 1.531(3) . ? C14 H14A 1.0000 . ? C15 H15A 0.9800 . ? C15 H15B 0.9800 . ? C15 H15C 0.9800 . ? C16 H16A 0.9800 . ? C16 H16B 0.9800 . ? C16 H16C 0.9800 . ? C17 C18 1.529(4) . ? C17 C19 1.534(4) . ? C17 H17A 1.0000 . ? C18 H18A 0.9800 . ? C18 H18B 0.9800 . ? C18 H18C 0.9800 . ? C19 H19A 0.9800 . ? C19 H19B 0.9800 . ? C19 H19C 0.9800 . ? C20 H20A 0.9800 . ? C20 H20B 0.9800 . ? C20 H20C 0.9800 . ? C21 H21A 0.9800 . ? C21 H21B 0.9800 . ? C21 H21C 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 C2 Ru1 C1 37.29(10) . . ? C2 Ru1 C3 37.00(9) . . ? C1 Ru1 C3 62.09(9) . . ? C2 Ru1 C4 61.37(9) . . ? C1 Ru1 C4 60.95(9) . . ? C3 Ru1 C4 37.34(9) . . ? C2 Ru1 C5 60.77(10) . . ? C1 Ru1 C5 36.38(10) . . ? C3 Ru1 C5 60.85(9) . . ? C4 Ru1 C5 35.42(8) . . ? C2 Ru1 P1 150.87(7) . . ? C1 Ru1 P1 114.23(7) . . ? C3 Ru1 P1 153.57(7) . . ? C4 Ru1 P1 116.54(7) . . ? C5 Ru1 P1 99.89(7) . . ? C2 Ru1 Si1 90.74(7) . . ? C1 Ru1 Si1 116.02(8) . . ? C3 Ru1 Si1 101.13(7) . . ? C4 Ru1 Si1 137.45(7) . . ? C5 Ru1 Si1 150.74(7) . . ? P1 Ru1 Si1 103.36(2) . . ? C2 Ru1 Cl1 120.61(7) . . ? C1 Ru1 Cl1 148.44(7) . . ? C3 Ru1 Cl1 88.05(7) . . ? C4 Ru1 Cl1 89.42(6) . . ? C5 Ru1 Cl1 121.19(6) . . ? P1 Ru1 Cl1 87.60(2) . . ? Si1 Ru1 Cl1 77.59(2) . . ? C2 Ru1 H1 94.0(11) . . ? C1 Ru1 H1 85.3(10) . . ? C3 Ru1 H1 129.6(11) . . ? C4 Ru1 H1 146.1(10) . . ? C5 Ru1 H1 113.5(10) . . ? P1 Ru1 H1 73.1(11) . . ? Si1 Ru1 H1 58.2(11) . . ? Cl1 Ru1 H1 124.3(10) . . ? C11 P1 C14 100.55(11) . . ? C11 P1 C17 107.01(13) . . ? C14 P1 C17 103.09(12) . . ? C11 P1 Ru1 113.85(8) . . ? C14 P1 Ru1 114.95(9) . . ? C17 P1 Ru1 115.75(9) . . ? C20 Si1 C21 103.62(15) . . ? C20 Si1 Cl2 100.08(10) . . ? C21 Si1 Cl2 101.04(12) . . ? C20 Si1 Ru1 119.84(10) . . ? C21 Si1 Ru1 115.37(10) . . ? Cl2 Si1 Ru1 114.20(4) . . ? C2 C1 C5 108.1(2) . . ? C2 C1 C6 123.8(3) . . ? C5 C1 C6 126.4(3) . . ? C2 C1 Ru1 71.14(14) . . ? C5 C1 Ru1 76.00(14) . . ? C6 C1 Ru1 130.56(18) . . ? C3 C2 C1 108.4(2) . . ? C3 C2 C7 126.3(3) . . ? C1 C2 C7 124.0(3) . . ? C3 C2 Ru1 71.98(14) . . ? C1 C2 Ru1 71.58(14) . . ? C7 C2 Ru1 132.2(2) . . ? C2 C3 C4 107.2(2) . . ? C2 C3 C8 128.3(3) . . ? C4 C3 C8 124.1(2) . . ? C2 C3 Ru1 71.03(14) . . ? C4 C3 Ru1 73.52(13) . . ? C8 C3 Ru1 126.99(18) . . ? C5 C4 C3 108.2(2) . . ? C5 C4 C9 128.1(2) . . ? C3 C4 C9 123.2(2) . . ? C5 C4 Ru1 74.02(13) . . ? C3 C4 Ru1 69.14(13) . . ? C9 C4 Ru1 128.75(17) . . ? C4 C5 C1 107.8(2) . . ? C4 C5 C10 125.4(3) . . ? C1 C5 C10 126.2(2) . . ? C4 C5 Ru1 70.56(13) . . ? C1 C5 Ru1 67.63(14) . . ? C10 C5 Ru1 134.02(18) . . ? C1 C6 H6A 109.5 . . ? C1 C6 H6B 109.5 . . ? H6A C6 H6B 109.5 . . ? C1 C6 H6C 109.5 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? C2 C7 H7A 109.5 . . ? C2 C7 H7B 109.5 . . ? H7A C7 H7B 109.5 . . ? C2 C7 H7C 109.5 . . ? H7A C7 H7C 109.5 . . ? H7B C7 H7C 109.5 . . ? C3 C8 H8A 109.5 . . ? C3 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? C3 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? C4 C9 H9A 109.5 . . ? C4 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? C4 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? C5 C10 H10A 109.5 . . ? C5 C10 H10B 109.5 . . ? H10A C10 H10B 109.5 . . ? C5 C10 H10C 109.5 . . ? H10A C10 H10C 109.5 . . ? H10B C10 H10C 109.5 . . ? C12 C11 C13 110.3(2) . . ? C12 C11 P1 113.88(18) . . ? C13 C11 P1 116.58(18) . . ? C12 C11 H11A 104.9 . . ? C13 C11 H11A 104.9 . . ? P1 C11 H11A 104.9 . . ? C11 C12 H12C 109.5 . . ? C11 C12 H12A 109.5 . . ? H12C C12 H12A 109.5 . . ? C11 C12 H12B 109.5 . . ? H12C C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? C11 C13 H13A 109.5 . . ? C11 C13 H13B 109.5 . . ? H13A C13 H13B 109.5 . . ? C11 C13 H13C 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? C16 C14 C15 108.3(2) . . ? C16 C14 P1 112.22(17) . . ? C15 C14 P1 113.46(18) . . ? C16 C14 H14A 107.5 . . ? C15 C14 H14A 107.5 . . ? P1 C14 H14A 107.5 . . ? C14 C15 H15A 109.5 . . ? C14 C15 H15B 109.5 . . ? H15A C15 H15B 109.5 . . ? C14 C15 H15C 109.5 . . ? H15A C15 H15C 109.5 . . ? H15B C15 H15C 109.5 . . ? C14 C16 H16A 109.5 . . ? C14 C16 H16B 109.5 . . ? H16A C16 H16B 109.5 . . ? C14 C16 H16C 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? C18 C17 C19 107.8(2) . . ? C18 C17 P1 114.18(19) . . ? C19 C17 P1 115.8(2) . . ? C18 C17 H17A 106.1 . . ? C19 C17 H17A 106.1 . . ? P1 C17 H17A 106.1 . . ? C17 C18 H18A 109.5 . . ? C17 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C17 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C17 C19 H19A 109.5 . . ? C17 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? C17 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? Si1 C20 H20A 109.5 . . ? Si1 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? Si1 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? Si1 C21 H21A 109.5 . . ? Si1 C21 H21B 109.5 . . ? H21A C21 H21B 109.5 . . ? Si1 C21 H21C 109.5 . . ? H21A C21 H21C 109.5 . . ? H21B C21 H21C 109.5 . . ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 29.00 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 1.027 _refine_diff_density_min -0.552 _refine_diff_density_rms 0.089