# Copyright The Royal Society of Chemistry, 1998 data_los7 _audit_creation_method SHELXL _chemical_name_systematic ; O-Acetoneoximato-silane ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_sum 'C3 H9 N O Si' _chemical_formula_weight 103.20 _chemical_melting_point ? _chemical_compound_source ? 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' _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 8.3930(10) _cell_length_b 7.5200(10) _cell_length_c 9.7060(10) _cell_angle_alpha 90.00 _cell_angle_beta 91.450(10) _cell_angle_gamma 90.00 _cell_volume 612.40(13) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 88 _cell_measurement_theta_min 20 _cell_measurement_theta_max 25 _exptl_crystal_description Column _exptl_crystal_colour Colorless _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.119 _exptl_crystal_density_method ? _exptl_crystal_F_000 224 _exptl_absorpt_coefficient_mu 0.263 _exptl_absorpt_correction_type None _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_special_details ; Crystal grown in situ in a capillary ; _diffrn_ambient_temperature 293(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 ? _diffrn_measurement_method ? _diffrn_standards_number 3 _diffrn_standards_interval_count ? _diffrn_standards_interval_time 60 _diffrn_standards_decay_% None _diffrn_reflns_number 2187 _diffrn_reflns_av_R_equivalents 0.0228 _diffrn_reflns_av_sigmaI/netI 0.0214 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_l_min -12 _diffrn_reflns_limit_l_max 7 _diffrn_reflns_theta_min 3.43 _diffrn_reflns_theta_max 26.97 _reflns_number_total 1338 _reflns_number_observed 1178 _reflns_observed_criterion >2sigma(I) _computing_data_collection 'CAD4-Software' _computing_cell_refinement 'CAD4-Software' _computing_data_reduction 'CADSHEL' _computing_structure_solution 'SHELXS-86 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-93 (Sheldrick, 1993)' _computing_molecular_graphics 'SHELXTL' _computing_publication_material 'SHELXTL' _refine_special_details ; Refinement on F^2^ for ALL reflections except for 3 with very negative F^2^ or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses 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 observed criterion of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.0522P)^2^+0.0755P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens difmap _refine_ls_hydrogen_treatment refall _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0109(50) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 1335 _refine_ls_number_parameters 92 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0358 _refine_ls_R_factor_obs 0.0298 _refine_ls_wR_factor_all 0.0951 _refine_ls_wR_factor_obs 0.0778 _refine_ls_goodness_of_fit_all 1.071 _refine_ls_goodness_of_fit_obs 1.099 _refine_ls_restrained_S_all 1.258 _refine_ls_restrained_S_obs 1.099 _refine_ls_shift/esd_max 0.001 _refine_ls_shift/esd_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_thermal_displace_type _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_group Si Si 0.54104(3) 0.09402(4) 0.70999(3) 0.02780(15) Uani 1 d . . O O 0.62278(10) -0.08951(11) 0.64471(9) 0.0320(2) Uani 1 d . . N N 0.79280(11) -0.06939(13) 0.66467(10) 0.0296(2) Uani 1 d . . C2 C 0.8025(2) -0.3470(2) 0.52923(14) 0.0357(3) Uani 1 d . . C1 C 0.87080(13) -0.1943(2) 0.60906(11) 0.0276(3) Uani 1 d . . C3 C 1.04838(15) -0.1836(2) 0.6276(2) 0.0406(3) Uani 1 d . . H1 H 0.5790(22) 0.1095(21) 0.8422(17) 0.049(5) Uiso 1 d . . H2 H 0.5905(18) 0.2426(22) 0.6396(15) 0.045(4) Uiso 1 d . . H3 H 0.3812(21) 0.0656(21) 0.6879(17) 0.048(5) Uiso 1 d . . H4 H 1.0813(23) -0.0793(25) 0.6804(18) 0.051(5) Uiso 1 d . . H5 H 1.0798(21) -0.2880(27) 0.6828(18) 0.058(5) Uiso 1 d . . H6 H 1.1005(22) -0.1798(23) 0.5401(20) 0.054(5) Uiso 1 d . . H7 H 0.8313(22) -0.4559(26) 0.5726(18) 0.055(5) Uiso 1 d . . H8 H 0.6886(26) -0.3533(26) 0.5211(19) 0.065(5) Uiso 1 d . . H9 H 0.8420(22) -0.3469(23) 0.4441(19) 0.050(5) Uiso 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 Si 0.0200(2) 0.0280(2) 0.0354(2) -0.00021(11) 0.00047(13) 0.00239(11) O 0.0195(4) 0.0330(5) 0.0435(5) -0.0068(3) 0.0011(3) 0.0013(3) N 0.0195(5) 0.0335(5) 0.0358(5) -0.0021(4) 0.0007(4) -0.0013(4) C2 0.0336(6) 0.0377(7) 0.0359(6) -0.0068(5) 0.0004(5) 0.0077(5) C1 0.0238(5) 0.0324(6) 0.0265(5) 0.0044(4) 0.0018(4) 0.0035(4) C3 0.0231(6) 0.0453(8) 0.0535(8) 0.0027(6) 0.0030(5) 0.0038(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 Si O 1.6730(9) . ? Si H1 1.32(2) . ? Si H2 1.38(2) . ? Si H3 1.37(2) . ? O N 1.4432(12) . ? N C1 1.273(2) . ? C2 C1 1.491(2) . ? C2 H7 0.95(2) . ? C2 H8 0.96(2) . ? C2 H9 0.90(2) . ? C1 C3 1.499(2) . ? C3 H4 0.97(2) . ? C3 H5 0.98(2) . ? C3 H6 0.97(2) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O Si H1 110.5(7) . . ? O Si H2 110.5(6) . . ? H1 Si H2 110.0(10) . . ? O Si H3 102.8(7) . . ? H1 Si H3 112.2(11) . . ? H2 Si H3 110.8(10) . . ? N O Si 106.04(6) . . ? C1 N O 112.52(9) . . ? C1 C2 H7 110.1(11) . . ? C1 C2 H8 116.7(12) . . ? H7 C2 H8 103.6(15) . . ? C1 C2 H9 109.3(12) . . ? H7 C2 H9 108.3(15) . . ? H8 C2 H9 108.4(16) . . ? N C1 C2 126.40(10) . . ? N C1 C3 115.45(11) . . ? C2 C1 C3 118.15(11) . . ? C1 C3 H4 112.0(11) . . ? C1 C3 H5 105.9(11) . . ? H4 C3 H5 106.8(13) . . ? C1 C3 H6 111.6(11) . . ? H4 C3 H6 108.1(15) . . ? H5 C3 H6 112.4(15) . . ? 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 Si O N C1 -174.60(8) . . . . ? O N C1 C2 0.8(2) . . . . ? O N C1 C3 -179.09(10) . . . . ? _refine_diff_density_max 0.286 _refine_diff_density_min -0.324 _refine_diff_density_rms 0.052 ###END data_los9 _audit_creation_method SHELXL _chemical_name_systematic ; Bis(acetonoximato)silane ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_sum 'C6 H14 N2 O2 Si' _chemical_formula_weight 174.28 _chemical_melting_point -15 _chemical_compound_source ? 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' _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 7.068(1) _cell_length_b 7.375(1) _cell_length_c 10.963(1) _cell_angle_alpha 87.16(1) _cell_angle_beta 79.61(1) _cell_angle_gamma 64.19(1) _cell_volume 505.75(11) _cell_formula_units_Z 2 _cell_measurement_temperature -79(2) _cell_measurement_reflns_used 92 _cell_measurement_theta_min 19 _cell_measurement_theta_max 24 _exptl_crystal_description Column _exptl_crystal_colour Colorless _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.144 _exptl_crystal_density_method ? _exptl_crystal_F_000 188 _exptl_absorpt_coefficient_mu 0.195 _exptl_absorpt_correction_type None _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 470(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 ? _diffrn_measurement_method ? _diffrn_standards_number 3 _diffrn_standards_interval_count ? _diffrn_standards_interval_time 60 _diffrn_standards_decay_% None _diffrn_reflns_number 2193 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_sigmaI/netI 0.0128 _diffrn_reflns_limit_h_min -7 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_theta_min 3.07 _diffrn_reflns_theta_max 27.05 _reflns_number_total 2193 _reflns_number_observed 1876 _reflns_observed_criterion >2sigma(I) _computing_data_collection 'CAD4-Software' _computing_cell_refinement 'CAD4-Software' _computing_data_reduction 'CADSHEL' _computing_structure_solution 'SHELXS-86 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-93 (Sheldrick, 1993)' _computing_molecular_graphics 'SHELXTL' _computing_publication_material 'SHELXTL' _refine_special_details ; Refinement on F^2^ for ALL reflections except for 2 with very negative F^2^ or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses 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 observed criterion of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.0870P)^2^+0.0710P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens difmap _refine_ls_hydrogen_treatment refall _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 2191 _refine_ls_number_parameters 144 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0531 _refine_ls_R_factor_obs 0.0441 _refine_ls_wR_factor_all 0.1280 _refine_ls_wR_factor_obs 0.1191 _refine_ls_goodness_of_fit_all 1.067 _refine_ls_goodness_of_fit_obs 1.092 _refine_ls_restrained_S_all 1.081 _refine_ls_restrained_S_obs 1.092 _refine_ls_shift/esd_max 0.000 _refine_ls_shift/esd_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_thermal_displace_type _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_group Si Si 0.35385(6) 0.63605(6) 0.20045(4) 0.0389(2) Uani 1 d . . H1 H 0.2602(32) 0.5345(31) 0.1553(19) 0.052(5) Uiso 1 d . . H2 H 0.5730(33) 0.5459(31) 0.1721(19) 0.052(5) Uiso 1 d . . O1 O 0.2566(2) 0.8716(2) 0.15437(10) 0.0423(3) Uani 1 d . . O2 O 0.3006(2) 0.6477(2) 0.35348(11) 0.0464(3) Uani 1 d . . N1 N 0.3161(2) 0.8459(2) 0.02088(12) 0.0378(3) Uani 1 d . . C1 C 0.2559(2) 1.0136(2) -0.03264(15) 0.0355(3) Uani 1 d . . N2 N 0.0714(2) 0.7260(2) 0.39056(13) 0.0456(3) Uani 1 d . . C3 C 0.3099(3) 1.0011(3) -0.1713(2) 0.0473(4) Uani 1 d . . H3A H 0.3744(43) 0.8681(43) -0.2051(25) 0.080 Uiso 1 d . . H3B H 0.1765(45) 1.0760(41) -0.2010(24) 0.080 Uiso 1 d . . H3C H 0.4008(43) 1.0705(41) -0.1979(25) 0.080 Uiso 1 d . . C4 C 0.0159(3) 0.7420(3) 0.5075(2) 0.0468(4) Uani 1 d . . C2 C 0.1388(3) 1.2155(2) 0.0312(2) 0.0461(4) Uani 1 d . . H2B H 0.1735(43) 1.2171(42) 0.0988(27) 0.080 Uiso 1 d . . H2C H 0.1799(44) 1.3144(43) -0.0015(25) 0.080 Uiso 1 d . . H2D H 0.0022(46) 1.2625(42) 0.0289(25) 0.080 Uiso 1 d . . C5 C 0.1600(4) 0.6893(5) 0.5991(2) 0.0721(7) Uani 1 d . . H5A H 0.2814(46) 0.7140(42) 0.5720(26) 0.080 Uiso 1 d . . H5B H 0.1105(44) 0.7970(43) 0.6598(27) 0.080 Uiso 1 d . . H5C H 0.1532(47) 0.5935(46) 0.6372(28) 0.080 Uiso 1 d . . C6 C -0.2190(3) 0.8228(4) 0.5545(2) 0.0657(6) Uani 1 d . . H6A H -0.3074(45) 0.8599(43) 0.4837(27) 0.080 Uiso 1 d . . H6B H -0.2400(42) 0.7292(43) 0.6060(26) 0.080 Uiso 1 d . . H6C H -0.2746(43) 0.9508(44) 0.5929(25) 0.080 Uiso 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 Si 0.0316(2) 0.0356(3) 0.0422(3) -0.0003(2) -0.0020(2) -0.0096(2) O1 0.0408(6) 0.0380(6) 0.0415(6) 0.0000(4) -0.0027(4) -0.0127(5) O2 0.0303(6) 0.0533(7) 0.0439(6) 0.0040(5) -0.0035(5) -0.0089(5) N1 0.0300(6) 0.0358(7) 0.0421(7) -0.0024(5) -0.0021(5) -0.0105(5) C1 0.0223(6) 0.0361(7) 0.0467(8) 0.0008(6) -0.0046(5) -0.0119(5) N2 0.0299(6) 0.0479(8) 0.0471(8) 0.0050(6) -0.0026(5) -0.0080(6) C3 0.0416(9) 0.0504(10) 0.0470(9) 0.0052(7) -0.0065(7) -0.0183(8) C4 0.0418(9) 0.0402(8) 0.0470(9) 0.0009(7) 0.0007(7) -0.0105(7) C2 0.0370(8) 0.0332(8) 0.0624(11) -0.0008(7) -0.0064(7) -0.0108(6) C5 0.0709(15) 0.092(2) 0.0440(11) 0.0019(11) -0.0099(10) -0.0268(14) C6 0.0473(11) 0.0573(12) 0.0701(13) -0.0027(10) 0.0157(10) -0.0117(9) _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 Si O2 1.6498(13) . ? Si O1 1.6565(12) . ? Si N1 2.4227(14) . ? Si N2 2.5006(14) . ? Si H1 1.35(2) . ? Si H2 1.37(2) . ? O1 N1 1.446(2) . ? O2 N2 1.447(2) . ? N1 C1 1.271(2) . ? C1 C2 1.488(2) . ? C1 C3 1.497(2) . ? N2 C4 1.266(2) . ? C3 H3A 0.95(3) . ? C3 H3B 0.97(3) . ? C3 H3C 0.98(3) . ? C4 C5 1.478(3) . ? C4 C6 1.495(3) . ? C2 H2B 0.82(3) . ? C2 H2C 0.93(3) . ? C2 H2D 0.88(3) . ? C5 H5A 0.95(3) . ? C5 H5B 0.96(3) . ? C5 H5C 0.82(3) . ? C6 H6A 1.04(3) . ? C6 H6B 0.92(3) . ? C6 H6C 0.94(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 O2 Si O1 106.61(6) . . ? O2 Si N1 142.23(5) . . ? O1 Si N1 35.64(5) . . ? O2 Si N2 33.51(5) . . ? O1 Si N2 92.09(5) . . ? N1 Si N2 122.59(5) . . ? O2 Si H1 110.4(9) . . ? O1 Si H1 110.2(8) . . ? N1 Si H1 91.3(9) . . ? N2 Si H1 88.5(9) . . ? O2 Si H2 104.4(8) . . ? O1 Si H2 110.7(9) . . ? N1 Si H2 93.5(9) . . ? N2 Si H2 137.7(8) . . ? H1 Si H2 114.1(12) . . ? N1 O1 Si 102.48(8) . . ? N2 O2 Si 107.50(9) . . ? C1 N1 O1 112.07(12) . . ? C1 N1 Si 153.95(11) . . ? O1 N1 Si 41.88(6) . . ? N1 C1 C2 125.4(2) . . ? N1 C1 C3 115.70(14) . . ? C2 C1 C3 118.91(15) . . ? C4 N2 O2 111.73(13) . . ? C4 N2 Si 150.72(12) . . ? O2 N2 Si 39.00(6) . . ? C1 C3 H3A 113.8(16) . . ? C1 C3 H3B 106.4(16) . . ? H3A C3 H3B 108.9(21) . . ? C1 C3 H3C 108.5(15) . . ? H3A C3 H3C 111.2(23) . . ? H3B C3 H3C 107.7(22) . . ? N2 C4 C5 126.2(2) . . ? N2 C4 C6 115.5(2) . . ? C5 C4 C6 118.3(2) . . ? C1 C2 H2B 112.3(20) . . ? C1 C2 H2C 116.1(17) . . ? H2B C2 H2C 94.2(24) . . ? C1 C2 H2D 109.7(18) . . ? H2B C2 H2D 117.8(25) . . ? H2C C2 H2D 106.2(25) . . ? C4 C5 H5A 113.4(17) . . ? C4 C5 H5B 110.7(17) . . ? H5A C5 H5B 88.0(23) . . ? C4 C5 H5C 107.6(21) . . ? H5A C5 H5C 128.3(26) . . ? H5B C5 H5C 105.8(25) . . ? C4 C6 H6A 112.8(15) . . ? C4 C6 H6B 107.1(17) . . ? H6A C6 H6B 113.2(23) . . ? C4 C6 H6C 111.8(17) . . ? H6A C6 H6C 98.9(23) . . ? H6B C6 H6C 113.1(24) . . ? 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 O2 Si O1 N1 178.37(8) . . . . ? N1 Si O1 N1 0.0 . . . . ? N2 Si O1 N1 -150.93(8) . . . . ? O1 Si O2 N2 67.56(11) . . . . ? N1 Si O2 N2 69.11(14) . . . . ? N2 Si O2 N2 0.0 . . . . ? Si O1 N1 C1 -179.40(10) . . . . ? Si O1 N1 Si 0.0 . . . . ? O2 Si N1 C1 -1.3(3) . . . . ? O1 Si N1 C1 1.3(2) . . . . ? N2 Si N1 C1 36.5(2) . . . . ? O2 Si N1 O1 -2.55(12) . . . . ? O1 Si N1 O1 0.0 . . . . ? N2 Si N1 O1 35.19(10) . . . . ? O1 N1 C1 C2 0.3(2) . . . . ? Si N1 C1 C2 -0.6(3) . . . . ? O1 N1 C1 C3 -179.67(12) . . . . ? Si N1 C1 C3 179.4(2) . . . . ? Si O2 N2 C4 -179.29(12) . . . . ? Si O2 N2 Si 0.0 . . . . ? O2 Si N2 C4 1.3(2) . . . . ? O1 Si N2 C4 -116.2(3) . . . . ? N1 Si N2 C4 -135.9(2) . . . . ? O2 Si N2 O2 0.0 . . . . ? O1 Si N2 O2 -117.59(11) . . . . ? N1 Si N2 O2 -137.22(10) . . . . ? O2 N2 C4 C5 -0.2(3) . . . . ? Si N2 C4 C5 -1.1(4) . . . . ? O2 N2 C4 C6 179.7(2) . . . . ? Si N2 C4 C6 178.8(2) . . . . ? _refine_diff_density_max 0.483 _refine_diff_density_min -0.385 _refine_diff_density_rms 0.070