# Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 1999 # CCDC Number: 186/1581 data_aug597 _audit_creation_method SHELXL _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural '[K{C(SiMe2NMe2)3}]n' _chemical_formula_analytical ? _chemical_formula_sum 'C13 H36 K N3 Si3' _chemical_formula_weight 357.82 _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' 'Si' 'Si' 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'K' 'K' 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M Cc loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x, -y, z+1/2' 'x+1/2, y+1/2, z' 'x+1/2, -y+1/2, z+1/2' _cell_length_a 16.219(5) _cell_length_b 9.486(2) _cell_length_c 13.656(4) _cell_angle_alpha 90.00 _cell_angle_beta 99.67(2) _cell_angle_gamma 90.00 _cell_volume 2071.2(10) _cell_formula_units_Z 4 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 25 _cell_measurement_theta_min 7 _cell_measurement_theta_max 10 _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.20 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.148 _exptl_crystal_density_method ? _exptl_crystal_F_000 784 _exptl_absorpt_coefficient_mu 0.427 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(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 ' Enraf-Nonius CAD4' _diffrn_measurement_method \w--2\q _diffrn_standards_number 2 _diffrn_standards_interval_count ? _diffrn_standards_interval_time 120 _diffrn_standards_decay_% 0 _diffrn_reflns_number 1881 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_sigmaI/netI 0.0374 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_theta_min 2.50 _diffrn_reflns_theta_max 24.97 _reflns_number_total 1881 _reflns_number_observed 1818 _reflns_observed_criterion >2sigma(I) _computing_data_collection 'Enraf-Nonius CAD4' _computing_cell_refinement 'Enraf-Nonius CAD4' _computing_data_reduction ? _computing_structure_solution 'SHELXS-86 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-93 (Sheldrick, 1993)' _computing_molecular_graphics 'CAMERON (Watkin and Pearce,1993)' _computing_publication_material SHELXL-93 _refine_special_details ; Refinement on F^2^ for ALL reflections except for 4 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^)+(0.0454P)^2^+6.3977P] 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 riding _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.03(10) _refine_ls_number_reflns 1877 _refine_ls_number_parameters 181 _refine_ls_number_restraints 2 _refine_ls_R_factor_all 0.0427 _refine_ls_R_factor_obs 0.0398 _refine_ls_wR_factor_all 0.1316 _refine_ls_wR_factor_obs 0.1182 _refine_ls_goodness_of_fit_all 1.196 _refine_ls_goodness_of_fit_obs 1.198 _refine_ls_restrained_S_all 1.309 _refine_ls_restrained_S_obs 1.197 _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 K K 0.75856(8) 1.04805(14) 0.67279(9) 0.0315(3) Uani 1 d . . Si1 Si 0.75254(10) 0.66789(15) 0.34978(11) 0.0212(3) Uani 1 d . . Si2 Si 0.83065(9) 0.9549(2) 0.42441(11) 0.0204(3) Uani 1 d . . Si3 Si 0.63906(9) 0.9103(2) 0.41923(10) 0.0191(3) Uani 1 d . . N1 N 0.7599(4) 0.6627(6) 0.2209(4) 0.0321(12) Uani 1 d . . N2 N 0.8750(3) 0.9586(6) 0.5536(4) 0.0316(12) Uani 1 d . . N3 N 0.6326(3) 0.8994(5) 0.5477(4) 0.0255(11) Uani 1 d . . C1 C 0.7376(3) 0.8471(5) 0.3917(4) 0.0180(11) Uani 1 d . . C2 C 0.6691(4) 0.5342(7) 0.3663(6) 0.038(2) Uani 1 d . . H2C H 0.6837(4) 0.4423(7) 0.3413(6) 0.056 Uiso 1 calc R . H2B H 0.6150(4) 0.5650(7) 0.3292(6) 0.056 Uiso 1 calc R . H2A H 0.6652(4) 0.5262(7) 0.4369(6) 0.056 Uiso 1 calc R . C3 C 0.8495(4) 0.5758(7) 0.4132(5) 0.0318(14) Uani 1 d . . H3C H 0.8518(4) 0.4808(7) 0.3856(5) 0.048 Uiso 1 calc R . H3B H 0.8483(4) 0.5694(7) 0.4846(5) 0.048 Uiso 1 calc R . H3A H 0.8989(4) 0.6292(7) 0.4025(5) 0.048 Uiso 1 calc R . C4 C 0.8209(7) 0.5709(9) 0.1848(7) 0.059(2) Uani 1 d . . H4C H 0.8743(7) 0.5753(9) 0.2307(7) 0.089 Uiso 1 calc R . H4B H 0.8291(7) 0.6022(9) 0.1188(7) 0.089 Uiso 1 calc R . H4A H 0.8002(7) 0.4736(9) 0.1809(7) 0.089 Uiso 1 calc R . C5 C 0.6807(6) 0.6560(8) 0.1527(5) 0.050(2) Uani 1 d . . H5C H 0.6398(6) 0.7174(8) 0.1767(5) 0.076 Uiso 1 calc R . H5B H 0.6600(6) 0.5587(8) 0.1487(5) 0.076 Uiso 1 calc R . H5A H 0.6890(6) 0.6873(8) 0.0866(5) 0.076 Uiso 1 calc R . C6 C 0.9193(4) 0.9019(7) 0.3568(5) 0.0298(13) Uani 1 d . . H6C H 0.9675(4) 0.9636(7) 0.3775(5) 0.045 Uiso 1 calc R . H6B H 0.9008(4) 0.9107(7) 0.2849(5) 0.045 Uiso 1 calc R . H6A H 0.9353(4) 0.8039(7) 0.3730(5) 0.045 Uiso 1 calc R . C7 C 0.8165(4) 1.1492(7) 0.3940(6) 0.038(2) Uani 1 d . . H7C H 0.8697(4) 1.1985(7) 0.4142(6) 0.057 Uiso 1 calc R . H7B H 0.7742(4) 1.1888(7) 0.4297(6) 0.057 Uiso 1 calc R . H7A H 0.7981(4) 1.1608(7) 0.3224(6) 0.057 Uiso 1 calc R . C8 C 0.8913(5) 0.8272(9) 0.6038(5) 0.043(2) Uani 1 d . . H8C H 0.8422(5) 0.7658(9) 0.5877(5) 0.065 Uiso 1 calc R . H8B H 0.9030(5) 0.8434(9) 0.6757(5) 0.065 Uiso 1 calc R . H8A H 0.9397(5) 0.7820(9) 0.5827(5) 0.065 Uiso 1 calc R . C9 C 0.9492(5) 1.0496(10) 0.5787(6) 0.054(2) Uani 1 d . . H9C H 0.9387(5) 1.1403(10) 0.5445(6) 0.081 Uiso 1 calc R . H9B H 0.9975(5) 1.0037(10) 0.5576(6) 0.081 Uiso 1 calc R . H9A H 0.9609(5) 1.0652(10) 0.6506(6) 0.081 Uiso 1 calc R . C10 C 0.5423(4) 0.8172(7) 0.3518(5) 0.035(2) Uani 1 d . . H10C H 0.4923(4) 0.8588(7) 0.3716(5) 0.052 Uiso 1 calc R . H10B H 0.5452(4) 0.7168(7) 0.3690(5) 0.052 Uiso 1 calc R . H10A H 0.5395(4) 0.8279(7) 0.2799(5) 0.052 Uiso 1 calc R . C11 C 0.6152(4) 1.1029(6) 0.3897(5) 0.0299(13) Uani 1 d . . H11C H 0.5607(4) 1.1270(6) 0.4071(5) 0.045 Uiso 1 calc R . H11B H 0.6139(4) 1.1193(6) 0.3186(5) 0.045 Uiso 1 calc R . H11A H 0.6586(4) 1.1619(6) 0.4281(5) 0.045 Uiso 1 calc R . C12 C 0.6519(4) 0.7621(7) 0.5942(5) 0.0339(15) Uani 1 d . . H12C H 0.7021(4) 0.7235(7) 0.5731(5) 0.051 Uiso 1 calc R . H12B H 0.6048(4) 0.6978(7) 0.5741(5) 0.051 Uiso 1 calc R . H12A H 0.6617(4) 0.7728(7) 0.6666(5) 0.051 Uiso 1 calc R . C13 C 0.5574(5) 0.9586(8) 0.5786(5) 0.041(2) Uani 1 d . . H13C H 0.5450(5) 1.0506(8) 0.5471(5) 0.062 Uiso 1 calc R . H13B H 0.5669(5) 0.9697(8) 0.6510(5) 0.062 Uiso 1 calc R . H13A H 0.5100(5) 0.8948(8) 0.5585(5) 0.062 Uiso 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 K 0.0345(7) 0.0320(7) 0.0275(7) -0.0063(6) 0.0040(6) -0.0011(6) Si1 0.0235(8) 0.0145(7) 0.0260(8) -0.0010(6) 0.0054(6) 0.0004(6) Si2 0.0176(7) 0.0188(7) 0.0253(8) -0.0020(6) 0.0045(6) -0.0023(6) Si3 0.0171(7) 0.0191(7) 0.0206(7) -0.0003(6) 0.0018(6) 0.0008(6) N1 0.047(3) 0.024(3) 0.025(3) -0.005(2) 0.005(2) 0.003(2) N2 0.022(3) 0.046(3) 0.027(3) -0.008(2) 0.003(2) -0.010(2) N3 0.023(3) 0.031(3) 0.024(3) -0.004(2) 0.007(2) 0.000(2) C1 0.018(3) 0.014(3) 0.022(3) -0.001(2) 0.003(2) 0.001(2) C2 0.038(4) 0.020(3) 0.058(4) 0.001(3) 0.014(3) -0.005(3) C3 0.034(4) 0.024(3) 0.038(4) 0.001(3) 0.006(3) 0.011(3) C4 0.090(7) 0.044(4) 0.052(5) -0.013(4) 0.032(5) 0.015(5) C5 0.072(6) 0.041(4) 0.032(4) -0.004(3) -0.010(4) -0.006(4) C6 0.024(3) 0.030(3) 0.038(3) -0.001(3) 0.012(3) -0.005(3) C7 0.029(3) 0.020(3) 0.065(5) -0.002(3) 0.009(3) -0.004(3) C8 0.038(4) 0.059(5) 0.030(3) -0.001(3) 0.000(3) 0.007(3) C9 0.036(4) 0.084(7) 0.041(4) -0.016(4) 0.002(3) -0.030(4) C10 0.022(3) 0.037(4) 0.044(4) -0.012(3) 0.002(3) -0.005(3) C11 0.025(3) 0.025(3) 0.042(4) 0.004(3) 0.011(3) 0.008(2) C12 0.033(3) 0.038(4) 0.031(3) 0.007(3) 0.007(3) -0.005(3) C13 0.037(4) 0.055(5) 0.034(4) 0.001(3) 0.011(3) 0.012(3) _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 K N3 2.812(5) . ? K N1 2.821(6) 2_575 ? K N2 2.823(5) . ? K Si2 3.439(2) 2_575 ? Si1 N1 1.785(5) . ? Si1 C1 1.823(5) . ? Si1 C3 1.879(7) . ? Si1 C2 1.896(7) . ? Si2 N2 1.790(5) . ? Si2 C1 1.815(5) . ? Si2 C7 1.895(7) . ? Si2 C6 1.903(6) . ? Si2 K 3.439(2) 2_574 ? Si3 N3 1.778(5) . ? Si3 C1 1.805(6) . ? Si3 C11 1.898(6) . ? Si3 C10 1.899(6) . ? N1 C5 1.456(9) . ? N1 C4 1.464(9) . ? N1 K 2.821(5) 2_574 ? N2 C8 1.426(9) . ? N2 C9 1.474(9) . ? N3 C12 1.460(8) . ? N3 C13 1.468(8) . ? 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 N3 K N1 127.3(2) . 2_575 ? N3 K N2 89.27(15) . . ? N1 K N2 116.5(2) 2_575 . ? N3 K Si2 133.90(11) . 2_575 ? N1 K Si2 77.71(11) 2_575 2_575 ? N2 K Si2 115.19(12) . 2_575 ? N1 Si1 C1 111.7(2) . . ? N1 Si1 C3 104.6(3) . . ? C1 Si1 C3 115.7(3) . . ? N1 Si1 C2 105.4(3) . . ? C1 Si1 C2 116.8(3) . . ? C3 Si1 C2 101.1(3) . . ? N2 Si2 C1 115.7(3) . . ? N2 Si2 C7 102.1(3) . . ? C1 Si2 C7 115.4(3) . . ? N2 Si2 C6 105.8(3) . . ? C1 Si2 C6 113.4(3) . . ? C7 Si2 C6 103.0(3) . . ? N2 Si2 K 176.2(2) . 2_574 ? C1 Si2 K 67.7(2) . 2_574 ? C7 Si2 K 77.3(2) . 2_574 ? C6 Si2 K 70.8(2) . 2_574 ? N3 Si3 C1 112.8(2) . . ? N3 Si3 C11 102.8(3) . . ? C1 Si3 C11 115.6(3) . . ? N3 Si3 C10 105.7(3) . . ? C1 Si3 C10 115.7(3) . . ? C11 Si3 C10 102.8(3) . . ? C5 N1 C4 109.4(6) . . ? C5 N1 Si1 115.7(5) . . ? C4 N1 Si1 120.6(5) . . ? C5 N1 K 85.5(4) . 2_574 ? C4 N1 K 118.7(5) . 2_574 ? Si1 N1 K 101.7(2) . 2_574 ? C8 N2 C9 108.8(6) . . ? C8 N2 Si2 117.9(4) . . ? C9 N2 Si2 114.7(5) . . ? C8 N2 K 94.2(4) . . ? C9 N2 K 106.8(4) . . ? Si2 N2 K 112.2(2) . . ? C12 N3 C13 110.1(5) . . ? C12 N3 Si3 115.9(4) . . ? C13 N3 Si3 116.9(4) . . ? C12 N3 K 95.9(4) . . ? C13 N3 K 100.8(4) . . ? Si3 N3 K 114.4(2) . . ? Si3 C1 Si2 119.4(3) . . ? Si3 C1 Si1 122.9(3) . . ? Si2 C1 Si1 117.0(3) . . ? _refine_diff_density_max 0.449 _refine_diff_density_min -0.266 _refine_diff_density_rms 0.073 data_ki5 _audit_creation_method SHELXL _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_sum 'C11 H30 K N Si3' _chemical_formula_weight 299.73 _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' 'Si' 'Si' 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'K' 'K' 0.2009 0.2494 '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 9.4021(9) _cell_length_b 14.6824(14) _cell_length_c 12.7646(12) _cell_angle_alpha 90.00 _cell_angle_beta 92.586(2) _cell_angle_gamma 90.00 _cell_volume 1760.3(3) _cell_formula_units_Z 4 _cell_measurement_temperature 160(2) _cell_measurement_reflns_used 11716 _cell_measurement_theta_min 2.11 _cell_measurement_theta_max 28.11 _exptl_crystal_description block _exptl_crystal_colour colourless _exptl_crystal_size_max 0.56 _exptl_crystal_size_mid 0.42 _exptl_crystal_size_min 0.38 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.131 _exptl_crystal_density_method ? _exptl_crystal_F_000 656 _exptl_absorpt_coefficient_mu 0.487 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.9011 _exptl_absorpt_correction_T_max 0.8206 _exptl_special_details ; ? ; _diffrn_ambient_temperature 160(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 'Siemens SMART CCD diffractometer' _diffrn_measurement_method '\w rotation with narrow frames' _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 13832 _diffrn_reflns_av_R_equivalents 0.0149 _diffrn_reflns_av_sigmaI/netI 0.0133 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_theta_min 2.12 _diffrn_reflns_theta_max 28.16 _reflns_number_total 4042 _reflns_number_observed 3740 _reflns_observed_criterion >2sigma(I) _computing_data_collection 'Siemens SMART' _computing_cell_refinement 'Siemens SMART' _computing_data_reduction 'Siemens SAINT' _computing_structure_solution 'Siemens SHELXTL' _computing_structure_refinement 'Siemens SHELXTL' _computing_molecular_graphics 'Siemens SHELXTL' _computing_publication_material 'SHELXTL and local programs' _refine_special_details ; Refinement of F^2^ against ALL reflections. 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^)+(0.0378P)^2^+0.6798P] 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 ? _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 4042 _refine_ls_number_parameters 159 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0291 _refine_ls_R_factor_obs 0.0262 _refine_ls_wR_factor_all 0.0751 _refine_ls_wR_factor_obs 0.0728 _refine_ls_goodness_of_fit_all 1.076 _refine_ls_goodness_of_fit_obs 1.086 _refine_ls_restrained_S_all 1.076 _refine_ls_restrained_S_obs 1.086 _refine_ls_shift/esd_max 0.033 _refine_ls_shift/esd_mean 0.001 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_thermal_displace_type _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_group K1 K 0.79375(3) 0.75341(2) 1.09037(2) 0.03068(9) Uani 1 d . . Si1 Si 0.70980(4) 0.62761(2) 0.85653(3) 0.02098(9) Uani 1 d . . Si2 Si 0.65328(3) 0.83378(2) 0.82200(3) 0.02093(9) Uani 1 d . . Si3 Si 0.97340(3) 0.75526(2) 0.84865(3) 0.02104(9) Uani 1 d . . C1 C 0.78208(12) 0.74208(8) 0.84079(9) 0.0197(2) Uani 1 d . . C2 C 0.81361(18) 0.54973(11) 0.95072(13) 0.0408(4) Uani 1 d . . H2A H 0.8640 0.5864 1.0047 0.049 Uiso 1 calc R . H2B H 0.8826 0.5145 0.9121 0.049 Uiso 1 calc R . H2C H 0.7478 0.5081 0.9839 0.049 Uiso 1 calc R . C3 C 0.69286(18) 0.55935(10) 0.73104(11) 0.0348(3) Uani 1 d . . H3A H 0.6212 0.5875 0.6832 0.042 Uiso 1 calc R . H3B H 0.6638 0.4970 0.7470 0.042 Uiso 1 calc R . H3C H 0.7848 0.5582 0.6978 0.042 Uiso 1 calc R . C4 C 0.52520(16) 0.62406(11) 0.90889(14) 0.0403(4) Uani 1 d . . H4A H 0.5266(3) 0.6513(8) 0.9753(8) 0.048 Uiso 1 calc R . H4B H 0.4955(6) 0.5634(7) 0.9141(9) 0.048 Uiso 1 calc R . H4C H 0.4620(8) 0.6557(8) 0.8632(7) 0.048 Uiso 1 calc R . C5 C 0.50018(15) 0.80411(11) 0.72588(11) 0.0351(3) Uani 1 d . . H5A H 0.4096 0.8174 0.7578 0.042 Uiso 1 calc R . H5B H 0.5044 0.7392 0.7083 0.042 Uiso 1 calc R . H5C H 0.5075 0.8404 0.6619 0.042 Uiso 1 calc R . C6 C 0.72331(17) 0.94462(10) 0.77015(13) 0.0388(3) Uani 1 d . . H6A H 0.6476(9) 0.9884(5) 0.7648(8) 0.047 Uiso 1 calc R . H6B H 0.7602(12) 0.9348(2) 0.7022(8) 0.047 Uiso 1 calc R . H6C H 0.7978(12) 0.9671(5) 0.8171(7) 0.047 Uiso 1 calc R . C7 C 0.56427(15) 0.87288(10) 0.94431(11) 0.0308(3) Uani 1 d . . H7A H 0.6339 0.9047 0.9906 0.037 Uiso 1 calc R . H7B H 0.5271 0.8199 0.9809 0.037 Uiso 1 calc R . H7C H 0.4858 0.9143 0.9247 0.037 Uiso 1 calc R . C8 C 1.07536(15) 0.64792(11) 0.82181(13) 0.0375(3) Uani 1 d . . H8A H 1.1709(11) 0.66321(19) 0.8054(9) 0.045 Uiso 1 calc R . H8B H 1.0300(8) 0.6163(5) 0.7638(8) 0.045 Uiso 1 calc R . H8C H 1.0770(10) 0.6096(5) 0.8826(7) 0.045 Uiso 1 calc R . C9 C 1.04897(15) 0.84045(11) 0.75433(12) 0.0342(3) Uani 1 d . . H9A H 0.9973 0.8982 0.7587 0.041 Uiso 1 calc R . H9B H 1.0386 0.8167 0.6827 0.041 Uiso 1 calc R . H9C H 1.1500 0.8505 0.7728 0.041 Uiso 1 calc R . C10 C 1.01235(19) 0.88672(11) 0.99727(13) 0.0406(3) Uani 1 d . . H10A H 1.0259 0.8981 1.0727 0.049 Uiso 1 calc R . H10B H 0.9142 0.9017 0.9744 0.049 Uiso 1 calc R . H10C H 1.0784 0.9247 0.9592 0.049 Uiso 1 calc R . C11 C 1.18902(16) 0.76992(15) 1.00540(14) 0.0482(4) Uani 1 d . . H11A H 1.2522(8) 0.8042(8) 0.9598(8) 0.058 Uiso 1 calc R . H11B H 1.2059(4) 0.7039(8) 0.9972(10) 0.058 Uiso 1 calc R . H11C H 1.2093(5) 0.7876(8) 1.0793(9) 0.058 Uiso 1 calc R . N1 N 1.04004(11) 0.79077(8) 0.97566(9) 0.0280(2) Uani 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 K1 0.02884(16) 0.04138(18) 0.02196(15) 0.00048(11) 0.00280(11) -0.00091(11) Si1 0.02205(17) 0.02043(16) 0.02045(16) 0.00105(12) 0.00087(12) -0.00174(12) Si2 0.01958(16) 0.02286(17) 0.02038(16) 0.00111(12) 0.00121(12) 0.00397(12) Si3 0.01588(16) 0.02468(17) 0.02267(17) -0.00053(12) 0.00214(12) 0.00033(12) C1 0.0169(5) 0.0205(5) 0.0218(6) 0.0003(4) 0.0008(4) 0.0001(4) C2 0.0476(9) 0.0346(7) 0.0395(8) 0.0148(6) -0.0061(7) -0.0005(7) C3 0.0497(9) 0.0254(6) 0.0293(7) -0.0039(5) 0.0022(6) -0.0070(6) C4 0.0338(8) 0.0370(8) 0.0512(9) -0.0008(7) 0.0144(7) -0.0105(6) C5 0.0285(7) 0.0450(8) 0.0310(7) -0.0045(6) -0.0070(6) 0.0112(6) C6 0.0401(8) 0.0292(7) 0.0475(9) 0.0135(6) 0.0078(7) 0.0073(6) C7 0.0292(7) 0.0359(7) 0.0275(6) -0.0032(5) 0.0029(5) 0.0109(5) C8 0.0260(7) 0.0397(8) 0.0471(9) -0.0055(7) 0.0047(6) 0.0101(6) C9 0.0251(6) 0.0440(8) 0.0340(7) 0.0058(6) 0.0071(5) -0.0064(6) C10 0.0469(9) 0.0393(8) 0.0358(7) -0.0107(6) 0.0033(6) -0.0129(7) C11 0.0213(7) 0.0827(13) 0.0398(9) -0.0016(8) -0.0069(6) -0.0038(7) N1 0.0195(5) 0.0372(6) 0.0271(5) -0.0021(5) -0.0017(4) -0.0039(4) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag K1 N1 2.8484(12) . ? K1 C10 3.1126(17) . ? K1 C1 3.1870(12) . ? K1 C1 3.2041(13) 4_576 ? K1 C7 3.2932(14) . ? K1 C9 3.4036(16) 4_576 ? Si1 C1 1.8274(12) . ? Si1 C4 1.8886(15) . ? Si1 C3 1.8901(14) . ? Si1 C2 1.8973(15) . ? Si1 K1 3.9319(5) 4_575 ? Si2 C1 1.8195(12) . ? Si2 C6 1.8866(15) . ? Si2 C7 1.8934(14) . ? Si2 C5 1.8994(14) . ? Si2 K1 3.5324(5) 4_575 ? Si3 N1 1.7892(12) . ? Si3 C1 1.8075(12) . ? Si3 C8 1.8840(15) . ? Si3 C9 1.8963(14) . ? Si3 K1 3.6382(5) 4_575 ? C1 K1 3.2041(13) 4_575 ? C10 N1 1.461(2) . ? C11 N1 1.4670(18) . ? 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 N1 K1 C10 27.93(4) . . ? N1 K1 C1 59.22(3) . . ? C10 K1 C1 69.19(4) . . ? N1 K1 C1 125.04(3) . 4_576 ? C10 K1 C1 114.89(4) . 4_576 ? C1 K1 C1 175.67(4) . 4_576 ? N1 K1 C7 97.67(4) . . ? C10 K1 C7 82.87(4) . . ? C1 K1 C7 57.98(3) . . ? C1 K1 C7 120.18(3) 4_576 . ? N1 K1 C9 80.04(4) . 4_576 ? C10 K1 C9 91.72(4) . 4_576 ? C1 K1 C9 125.81(3) . 4_576 ? C1 K1 C9 56.62(3) 4_576 4_576 ? C7 K1 C9 171.70(4) . 4_576 ? C1 Si1 C4 114.61(6) . . ? C1 Si1 C3 114.34(6) . . ? C4 Si1 C3 103.99(7) . . ? C1 Si1 C2 116.15(7) . . ? C4 Si1 C2 102.35(8) . . ? C3 Si1 C2 103.81(7) . . ? C1 Sy1 K1 63.03(4) . . ? C4 Si1 K1 83.?0(5) . . ? C3 Si1 K1 172.06(5) . . ? C2 Si1 K1 72.17(6) . . ? C1 Si1 K1 53.58(4) . 4_575 ? C4 Si1 K1 122.79(6) . 4_575 ? C3 Si1 K1 61.04(5) . 4_575 ? C2 Si1 K1 134.25(6) . 4_575 ? K1 Si1 K1 116.577(11) . 4_575 ? C1 Si2 C6 116.34(6) . . ? C1 Si2 C7 115.59(6) . . ? C6 Si2 C7 101.65(7) . . ? C1 Si2 C5 113.32(7) . . ? _refine_diff_density_max 0.340 _refine_diff_density_min -0.373 _refine_diff_density_rms 0.046 data_apr298 _audit_creation_method SHELXL _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural '[{Li(C(SiMe3)(SiMe2OMe)2}2]' _chemical_formula_analytical ? _chemical_formula_sum 'C20 H54 Li2 O4 Si6' _chemical_formula_weight 541.05 _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' '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' 'Li' 'Li' -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M Cmca loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x, -y, -z' 'x, -y+1/2, z+1/2' 'x, y+1/2, -z+1/2' 'x+1/2, y+1/2, z' 'x+1/2, -y+1/2, -z' 'x+1/2, -y+1, z+1/2' 'x+1/2, y+1, -z+1/2' '-x, -y, -z' '-x, y, z' '-x, y-1/2, -z-1/2' '-x, -y-1/2, z-1/2' '-x+1/2, -y+1/2, -z' '-x+1/2, y+1/2, z' '-x+1/2, y, -z-1/2' '-x+1/2, -y, z-1/2' _cell_length_a 15.569(3) _cell_length_b 12.603(2) _cell_length_c 16.848(2) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 3305.8(9) _cell_formula_units_Z 4 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 25 _cell_measurement_theta_min 7 _cell_measurement_theta_max 10 _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.30 _exptl_crystal_size_mid 0.30 _exptl_crystal_size_min 0.30 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.087 _exptl_crystal_density_method ? _exptl_crystal_F_000 1184 _exptl_absorpt_coefficient_mu 0.273 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(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 ' Enraf-Nonius CAD4' _diffrn_measurement_method \w--2\q _diffrn_standards_number 2 _diffrn_standards_interval_count ? _diffrn_standards_interval_time 120 _diffrn_standards_decay_% 0 _diffrn_reflns_number 2954 _diffrn_reflns_av_R_equivalents 0.0206 _diffrn_reflns_av_sigmaI/netI 0.0370 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_theta_min 2.41 _diffrn_reflns_theta_max 24.98 _reflns_number_total 1513 _reflns_number_observed 1184 _reflns_observed_criterion >2sigma(I) _computing_data_collection 'Enraf-Nonius CAD4' _computing_cell_refinement 'Enraf-Nonius CAD4' _computing_data_reduction ? _computing_structure_solution 'SHELXS-86 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-93 (Sheldrick, 1993)' _computing_molecular_graphics 'CAMERON (Watkin and Pearce,1993)' _computing_publication_material SHELXL-93 _refine_special_details ; Refinement on F^2^ for ALL reflections except for 0 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^)+(0.0826P)^2^+8.2393P] 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 riding _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 1513 _refine_ls_number_parameters 91 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0757 _refine_ls_R_factor_obs 0.0582 _refine_ls_wR_factor_all 0.1673 _refine_ls_wR_factor_obs 0.1528 _refine_ls_goodness_of_fit_all 1.048 _refine_ls_goodness_of_fit_obs 1.090 _refine_ls_restrained_S_all 1.048 _refine_ls_restrained_S_obs 1.090 _refine_ls_shift/esd_max -0.003 _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 Li Li 0.5000 -0.0931(7) 0.5471(5) 0.045(2) Uani 1 d S . Si1 Si 0.40171(6) 0.07679(8) 0.62731(6) 0.0411(3) Uani 1 d . . Si2 Si 0.5000 0.27043(11) 0.56575(9) 0.0466(4) Uani 1 d S . O1 O 0.4051(2) -0.0554(2) 0.6133(2) 0.0540(7) Uani 1 d . . C1 C 0.5000 0.1272(4) 0.5843(3) 0.0364(10) Uani 1 d S . C2 C 0.3435(4) -0.1222(5) 0.6494(3) 0.097(2) Uani 1 d . . H2A H 0.3552(4) -0.1961(5) 0.6349(3) 0.146 Uiso 1 calc R . H2B H 0.2860(4) -0.1024(5) 0.6310(3) 0.146 Uiso 1 calc R . H2C H 0.3466(4) -0.1144(5) 0.7072(3) 0.146 Uiso 1 calc R . C3 C 0.3006(2) 0.1188(4) 0.5771(3) 0.0683(12) Uani 1 d . . H3A H 0.2513(2) 0.0876(4) 0.6046(3) 0.103 Uiso 1 calc R . H3B H 0.3014(2) 0.0947(4) 0.5218(3) 0.103 Uiso 1 calc R . H3C H 0.2961(2) 0.1964(4) 0.5785(3) 0.103 Uiso 1 calc R . C4 C 0.3847(3) 0.0988(4) 0.7364(3) 0.0700(13) Uani 1 d . . H4A H 0.3295(3) 0.0680(4) 0.7523(3) 0.105 Uiso 1 calc R . H4B H 0.3845(3) 0.1751(4) 0.7475(3) 0.105 Uiso 1 calc R . H4C H 0.4312(3) 0.0647(4) 0.7662(3) 0.105 Uiso 1 calc R . C5 C 0.4372(6) 0.3520(6) 0.6360(6) 0.071(3) Uani 0.50 d P . H5A H 0.4414(6) 0.4268(6) 0.6208(6) 0.107 Uiso 0.50 calc PR . H5B H 0.4600(6) 0.3426(6) 0.6898(6) 0.107 Uiso 0.50 calc PR . H5C H 0.3769(6) 0.3297(6) 0.6347(6) 0.107 Uiso 0.50 calc PR . C6 C 0.4665(7) 0.3023(12) 0.4638(6) 0.136(6) Uani 0.50 d P . H6A H 0.4674(7) 0.3794(12) 0.4563(6) 0.204 Uiso 0.50 calc PR . H6B H 0.4082(7) 0.2756(12) 0.4547(6) 0.204 Uiso 0.50 calc PR . H6C H 0.5061(7) 0.2689(12) 0.4261(6) 0.204 Uiso 0.50 calc PR . C7 C 0.6108(6) 0.3370(7) 0.5721(7) 0.077(3) Uani 0.50 d P . H7A H 0.6050(6) 0.4131(7) 0.5613(7) 0.115 Uiso 0.50 calc PR . H7B H 0.6494(6) 0.3052(7) 0.5327(7) 0.115 Uiso 0.50 calc PR . H7C H 0.6347(6) 0.3268(7) 0.6253(7) 0.115 Uiso 0.50 calc PR . 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 Li 0.051(5) 0.045(5) 0.040(4) -0.008(3) 0.000 0.000 Si1 0.0243(5) 0.0513(6) 0.0478(6) -0.0142(4) 0.0031(4) 0.0007(4) Si2 0.0472(8) 0.0428(8) 0.0498(8) -0.0103(6) 0.000 0.000 O1 0.049(2) 0.053(2) 0.060(2) -0.0044(12) 0.0054(12) -0.0160(12) C1 0.024(2) 0.041(2) 0.044(3) -0.013(2) 0.000 0.000 C2 0.114(5) 0.098(4) 0.080(3) 0.009(3) 0.015(3) -0.060(4) C3 0.030(2) 0.099(3) 0.076(3) -0.015(3) 0.001(2) 0.014(2) C4 0.054(2) 0.100(3) 0.055(3) -0.019(2) 0.017(2) -0.008(2) C5 0.073(6) 0.045(4) 0.096(7) -0.011(5) 0.014(5) 0.011(4) C6 0.103(10) 0.220(15) 0.085(7) -0.091(8) 0.022(6) -0.087(9) C7 0.067(6) 0.054(5) 0.110(8) -0.012(5) 0.004(6) -0.026(4) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Li O1 1.912(6) 10_655 ? Li O1 1.912(6) . ? Li C1 2.256(9) 9_656 ? Li Li 2.83(2) 9_656 ? Li Si2 2.934(8) 9_656 ? Li Si1 2.959(7) 10_655 ? Li Si1 2.959(7) . ? Si1 O1 1.683(3) . ? Si1 C1 1.808(3) . ? Si1 C3 1.863(4) . ? Si1 C4 1.877(4) . ? Si2 C1 1.832(5) . ? Si2 C6 1.839(12) . ? Si2 C6 1.839(12) 10_655 ? Si2 C5 1.847(8) 10_655 ? Si2 C5 1.847(8) . ? Si2 C7 1.922(8) . ? Si2 C7 1.922(8) 10_655 ? Si2 Li 2.934(8) 9_656 ? O1 C2 1.413(5) . ? C1 Si1 1.808(3) 10_655 ? C1 Li 2.256(9) 9_656 ? 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 O1 Li O1 101.2(4) 10_655 . ? O1 Li C1 128.3(2) 10_655 9_656 ? O1 Li C1 128.3(2) . 9_656 ? O1 Li Li 96.9(3) 10_655 9_656 ? O1 Li Li 96.9(3) . 9_656 ? C1 Li Li 66.9(3) 9_656 9_656 ? O1 Li Si2 124.6(2) 10_655 9_656 ? O1 Li Si2 124.6(2) . 9_656 ? C1 Li Si2 38.6(2) 9_656 9_656 ? Li Li Si2 105.5(4) 9_656 9_656 ? O1 Li Si1 32.2(2) 10_655 10_655 ? O1 Li Si1 87.3(3) . 10_655 ? C1 Li Si1 125.9(3) 9_656 10_655 ? Li Li Si1 69.9(3) 9_656 10_655 ? Si2 Li Si1 147.91(11) 9_656 10_655 ? O1 Li Si1 87.3(3) 10_655 . ? O1 Li Si1 32.2(2) . . ? C1 Li Si1 125.9(3) 9_656 . ? Li Li Si1 69.9(3) 9_656 . ? Si2 Li Si1 147.91(11) 9_656 . ? Si1 Li Si1 62.3(2) 10_655 . ? O1 Si1 C1 105.4(2) . . ? O1 Si1 C3 104.2(2) . . ? C1 Si1 C3 115.7(2) . . ? O1 Si1 C4 106.7(2) . . ? C1 Si1 C4 117.4(2) . . ? C3 Si1 C4 106.5(2) . . ? O1 Si1 Li 37.2(2) . . ? C1 Si1 Li 68.5(2) . . ? C3 Si1 Li 115.8(2) . . ? C4 Si1 Li 128.8(2) . . ? C1 Si2 C6 112.0(5) . . ? C1 Si2 C6 112.0(5) . 10_655 ? C6 Si2 C6 32.9(7) . 10_655 ? C1 Si2 C5 116.0(3) . 10_655 ? C6 Si2 C5 128.8(5) . 10_655 ? C6 Si2 C5 109.1(6) 10_655 10_655 ? C1 Si2 C5 116.0(3) . . ? C6 Si2 C5 109.1(6) . . ? C6 Si2 C5 128.8(5) 10_655 . ? C5 Si2 C5 63.9(7) 10_655 . ? C1 Si2 C7 114.9(3) . . ? C6 Si2 C7 102.2(5) . . ? C6 Si2 C7 72.6(5) 10_655 . ? C5 Si2 C7 41.1(4) 10_655 . ? C5 Si2 C7 101.4(5) . . ? C1 Si2 C7 114.9(3) . 10_655 ? C6 Si2 C7 72.6(5) . 10_655 ? C6 Si2 C7 102.2(5) 10_655 10_655 ? C5 Si2 C7 101.4(5) 10_655 10_655 ? C5 Si2 C7 41.1(4) . 10_655 ? C7 Si2 C7 127.8(6) . 10_655 ? C1 Si2 Li 50.2(2) . 9_656 ? C6 Si2 Li 64.0(5) . 9_656 ? C6 Si2 Li 64.0(5) 10_655 9_656 ? C5 Si2 Li 147.0(3) 10_655 9_656 ? C5 Si2 Li 147.0(3) . 9_656 ? C7 Si2 Li 111.6(3) . 9_656 ? C7 Si2 Li 111.6(3) 10_655 9_656 ? C2 O1 Si1 120.6(3) . . ? C2 O1 Li 128.8(4) . . ? Si1 O1 Li 110.6(3) . . ? Si1 C1 Si1 115.6(3) . 10_655 ? Si1 C1 Si2 114.49(15) . . ? Si1 C1 Si2 114.49(15) 10_655 . ? Si1 C1 Li 109.0(2) . 9_656 ? Si1 C1 Li 109.0(2) 10_655 9_656 ? Si2 C1 Li 91.1(3) . 9_656 ? _refine_diff_density_max 0.769 _refine_diff_density_min -0.399 _refine_diff_density_rms 0.068