data_z8706b _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C54 H72 Li4 O2 Si2' _chemical_formula_weight 837.06 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' 'Li' 'Li' -0.0003 0.0001 '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 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 26.694(5) _cell_length_b 11.166(2) _cell_length_c 20.498(4) _cell_angle_alpha 90.00 _cell_angle_beta 121.30(3) _cell_angle_gamma 90.00 _cell_volume 5220.3(18) _cell_formula_units_Z 4 _cell_measurement_temperature 123(2) _cell_measurement_reflns_used 21353 _cell_measurement_theta_min 2.03 _cell_measurement_theta_max 27.48 _exptl_crystal_description prism _exptl_crystal_colour orange _exptl_crystal_size_max 0.60 _exptl_crystal_size_mid 0.30 _exptl_crystal_size_min 0.30 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.065 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1808 _exptl_absorpt_coefficient_mu 0.104 _exptl_absorpt_correction_type 'Empirical' _exptl_absorpt_correction_T_min 0.9401 _exptl_absorpt_correction_T_max 0.9694 _exptl_absorpt_process_details ; HIGASHI, T. (1995). Abscor-Empirical Absorption Correction based on Fourier Series Approximation. Rigaku Corporation,Tokyo,Japan. ; _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 'Rigaku RAXIS RAPID IP' _diffrn_measurement_method \W _diffrn_detector_area_resol_mean 10.00 _diffrn_standards_number 0 _diffrn_standards_interval_count 0 _diffrn_standards_interval_time 0 _diffrn_standards_decay_% 0 _diffrn_reflns_number 21353 _diffrn_reflns_av_R_equivalents 0.05703705 _diffrn_reflns_av_sigmaI/netI 0.1002 _diffrn_reflns_limit_h_min -34 _diffrn_reflns_limit_h_max 34 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 2.03 _diffrn_reflns_theta_max 27.48 _reflns_number_total 5976 _reflns_number_gt 3262 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Rapid-AUTO (Rigaku,2000)' _computing_cell_refinement 'Rapid-AUTO' _computing_data_reduction 'CrystalStructure (Rigaku/MSC,2000)' _computing_structure_solution 'SHELXS-97,(Sheldrick,1997)' _computing_structure_refinement 'SHELXL-97,(Sheldrick,1997)' _computing_molecular_graphics 'Siemens SHELXTL V4.2,(Sheldrick,1990)' _computing_publication_material 'SHELXL-97,(Sheldrick,1997)' _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^)+(0.0300P)^2^+0.0000P] 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 none _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 -0.4(3) _refine_ls_number_reflns 5976 _refine_ls_number_parameters 567 _refine_ls_number_restraints 2 _refine_ls_R_factor_all 0.1046 _refine_ls_R_factor_gt 0.0478 _refine_ls_wR_factor_ref 0.0995 _refine_ls_wR_factor_gt 0.0892 _refine_ls_goodness_of_fit_ref 1.000 _refine_ls_restrained_S_all 1.000 _refine_ls_shift/su_max 0.022 _refine_ls_shift/su_mean 0.002 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 C1 C 0.0633(3) 0.2831(8) 0.0805(4) 0.025(2) Uani 1 1 d . . . C2 C 0.0316(3) 0.3239(8) 0.0067(5) 0.027(2) Uani 1 1 d . . . C3 C 0.0493(3) 0.4375(8) -0.0188(4) 0.0241(19) Uani 1 1 d . . . C4 C 0.1048(4) 0.4815(8) 0.0197(5) 0.028(2) Uani 1 1 d . . . C5 C -0.0301(4) 0.1522(9) 0.1034(6) 0.052(3) Uani 1 1 d . . . H5A H -0.0362 0.2305 0.1197 0.078 Uiso 1 1 calc R . . H5B H -0.0324 0.0893 0.1351 0.078 Uiso 1 1 calc R . . H5C H -0.0603 0.1386 0.0498 0.078 Uiso 1 1 calc R . . C6 C 0.0489(5) 0.0059(9) 0.0734(5) 0.050(3) Uani 1 1 d . . . H6A H 0.0131 -0.0078 0.0239 0.075 Uiso 1 1 calc R . . H6B H 0.0544 -0.0598 0.1082 0.075 Uiso 1 1 calc R . . H6C H 0.0826 0.0094 0.0667 0.075 Uiso 1 1 calc R . . C7 C 0.0991(4) 0.1384(8) 0.2210(5) 0.042(2) Uani 1 1 d . . . H7A H 0.1385 0.1312 0.2289 0.063 Uiso 1 1 calc R . . H7B H 0.0907 0.0681 0.2423 0.063 Uiso 1 1 calc R . . H7C H 0.0970 0.2108 0.2464 0.063 Uiso 1 1 calc R . . C8 C -0.0182(4) 0.2523(8) -0.0598(5) 0.032(2) Uani 1 1 d . . . H8A H -0.0512 0.3065 -0.0926 0.039 Uiso 1 1 calc R . . H8B H -0.0326 0.1897 -0.0394 0.039 Uiso 1 1 calc R . . C9 C 0.0058(4) 0.1921(10) -0.1085(5) 0.041(2) Uani 1 1 d . . . H9A H 0.0231 0.2549 -0.1250 0.050 Uiso 1 1 calc R . . H9B H 0.0374 0.1348 -0.0758 0.050 Uiso 1 1 calc R . . C10 C -0.0424(5) 0.1259(10) -0.1793(5) 0.059(3) Uani 1 1 d . . . H10A H -0.0701 0.1847 -0.2168 0.071 Uiso 1 1 calc R . . H10B H -0.0645 0.0730 -0.1642 0.071 Uiso 1 1 calc R . . C11 C -0.0147(5) 0.0491(12) -0.2168(6) 0.090(4) Uani 1 1 d . . . H11A H 0.0011 0.1024 -0.2398 0.136 Uiso 1 1 calc R . . H11B H -0.0450 -0.0025 -0.2564 0.136 Uiso 1 1 calc R . . H11C H 0.0169 -0.0006 -0.1777 0.136 Uiso 1 1 calc R . . C12 C -0.0027(3) 0.5033(8) -0.0878(4) 0.028(2) Uani 1 1 d . . . C13 C -0.0044(4) 0.5311(10) -0.1536(5) 0.048(3) Uani 1 1 d . . . H13 H 0.0259 0.5032 -0.1610 0.057 Uiso 1 1 calc R . . C14 C -0.0493(5) 0.5992(12) -0.2098(6) 0.064(3) Uani 1 1 d . . . H14 H -0.0475 0.6259 -0.2526 0.077 Uiso 1 1 calc R . . C15 C -0.0967(5) 0.6282(11) -0.2033(7) 0.060(4) Uani 1 1 d . . . H15 H -0.1303 0.6656 -0.2444 0.072 Uiso 1 1 calc R . . C16 C -0.0951(5) 0.6028(11) -0.1377(7) 0.058(3) Uani 1 1 d . . . H16 H -0.1255 0.6319 -0.1309 0.069 Uiso 1 1 calc R . . C17 C -0.0505(4) 0.5359(9) -0.0805(5) 0.044(3) Uani 1 1 d . . . H17 H -0.0521 0.5123 -0.0370 0.052 Uiso 1 1 calc R . . C18 C 0.1156(4) 0.5936(9) -0.0116(5) 0.029(2) Uani 1 1 d . . . C19 C 0.0985(4) 0.7067(10) -0.0014(6) 0.044(3) Uani 1 1 d . . . H19 H 0.0776 0.7136 0.0244 0.053 Uiso 1 1 calc R . . C20 C 0.1113(5) 0.8094(10) -0.0282(6) 0.051(3) Uani 1 1 d . . . H20 H 0.1009 0.8855 -0.0180 0.061 Uiso 1 1 calc R . . C21 C 0.1392(5) 0.8023(10) -0.0699(5) 0.045(3) Uani 1 1 d . . . H21 H 0.1455 0.8713 -0.0918 0.054 Uiso 1 1 calc R . . C22 C 0.1574(4) 0.6882(9) -0.0777(5) 0.042(2) Uani 1 1 d . . . H22 H 0.1775 0.6788 -0.1043 0.050 Uiso 1 1 calc R . . C23 C 0.1465(4) 0.5925(9) -0.0477(5) 0.040(2) Uani 1 1 d . . . H23 H 0.1616 0.5177 -0.0518 0.048 Uiso 1 1 calc R . . C24 C 0.2184(3) 0.2865(8) 0.1683(4) 0.0241(19) Uani 1 1 d . . . C25 C 0.2480(4) 0.3204(8) 0.2420(4) 0.0226(19) Uani 1 1 d . . . C26 C 0.2336(4) 0.4386(8) 0.2675(5) 0.026(2) Uani 1 1 d . . . C27 C 0.1780(3) 0.4823(8) 0.2300(4) 0.0228(18) Uani 1 1 d . . . C28 C 0.1862(5) 0.1376(9) 0.0303(6) 0.057(3) Uani 1 1 d . . . H28A H 0.1467 0.1211 0.0201 0.086 Uiso 1 1 calc R . . H28B H 0.1986 0.0723 0.0099 0.086 Uiso 1 1 calc R . . H28C H 0.1860 0.2130 0.0057 0.086 Uiso 1 1 calc R . . C29 C 0.2332(5) -0.0005(9) 0.1765(6) 0.055(3) Uani 1 1 d . . . H29A H 0.2547 0.0053 0.2323 0.083 Uiso 1 1 calc R . . H29B H 0.2507 -0.0635 0.1612 0.083 Uiso 1 1 calc R . . H29C H 0.1921 -0.0200 0.1575 0.083 Uiso 1 1 calc R . . C30 C 0.3127(4) 0.1593(9) 0.1446(6) 0.056(3) Uani 1 1 d . . . H30A H 0.3104 0.2113 0.1046 0.084 Uiso 1 1 calc R . . H30B H 0.3253 0.0790 0.1397 0.084 Uiso 1 1 calc R . . H30C H 0.3412 0.1924 0.1948 0.084 Uiso 1 1 calc R . . C31 C 0.2963(4) 0.2502(9) 0.3091(5) 0.032(2) Uani 1 1 d . . . H31A H 0.3123 0.1898 0.2894 0.038 Uiso 1 1 calc R . . H31B H 0.3285 0.3057 0.3425 0.038 Uiso 1 1 calc R . . C32 C 0.2760(4) 0.1887(10) 0.3552(5) 0.044(3) Uani 1 1 d . . . H32A H 0.2578 0.2496 0.3715 0.052 Uiso 1 1 calc R . . H32B H 0.2447 0.1319 0.3212 0.052 Uiso 1 1 calc R . . C33 C 0.3183(4) 0.1232(11) 0.4224(6) 0.069(3) Uani 1 1 d . . . H33A H 0.3469 0.1815 0.4595 0.083 Uiso 1 1 calc R . . H33B H 0.3401 0.0690 0.4076 0.083 Uiso 1 1 calc R . . C34 C 0.2956(5) 0.0517(11) 0.4614(6) 0.087(5) Uani 1 1 d . . . H34A H 0.2627 0.0938 0.4595 0.130 Uiso 1 1 calc R . . H34B H 0.3268 0.0397 0.5148 0.130 Uiso 1 1 calc R . . H34C H 0.2823 -0.0262 0.4361 0.130 Uiso 1 1 calc R . . C35 C 0.2822(4) 0.4991(8) 0.3315(4) 0.031(2) Uani 1 1 d . . . C36 C 0.3303(4) 0.5378(9) 0.3277(5) 0.033(2) Uani 1 1 d . . . H36 H 0.3303 0.5233 0.2820 0.040 Uiso 1 1 calc R . . C37 C 0.3783(5) 0.5964(10) 0.3871(6) 0.048(3) Uani 1 1 d . . . H37 H 0.4118 0.6150 0.3840 0.058 Uiso 1 1 calc R . . C38 C 0.3759(6) 0.6269(12) 0.4507(6) 0.070(4) Uani 1 1 d . . . H38 H 0.4059 0.6750 0.4897 0.084 Uiso 1 1 calc R . . C39 C 0.3302(5) 0.5879(12) 0.4579(5) 0.066(3) Uani 1 1 d . . . H39 H 0.3315 0.6004 0.5045 0.079 Uiso 1 1 calc R . . C40 C 0.2828(4) 0.5310(9) 0.3987(5) 0.041(3) Uani 1 1 d . . . H40 H 0.2498 0.5128 0.4029 0.050 Uiso 1 1 calc R . . C41 C 0.1647(3) 0.5931(8) 0.2574(4) 0.0228(19) Uani 1 1 d . . . C42 C 0.1831(4) 0.7063(9) 0.2487(5) 0.037(2) Uani 1 1 d . . . H42 H 0.2028 0.7141 0.2214 0.044 Uiso 1 1 calc R . . C43 C 0.1726(5) 0.8080(10) 0.2797(6) 0.051(3) Uani 1 1 d . . . H43 H 0.1866 0.8838 0.2749 0.061 Uiso 1 1 calc R . . C44 C 0.1433(5) 0.7999(10) 0.3160(6) 0.054(3) Uani 1 1 d . . . H44 H 0.1361 0.8710 0.3352 0.065 Uiso 1 1 calc R . . C45 C 0.1235(4) 0.6941(9) 0.3265(5) 0.043(3) Uani 1 1 d . . . H45 H 0.1031 0.6912 0.3531 0.052 Uiso 1 1 calc R . . C46 C 0.1338(3) 0.5858(8) 0.2966(4) 0.030(2) Uani 1 1 d . . . H46 H 0.1201 0.5108 0.3030 0.036 Uiso 1 1 calc R . . C47 C -0.0141(4) 0.4950(10) 0.1361(7) 0.069(3) Uani 1 1 d . . . H47A H 0.0086 0.4369 0.1778 0.082 Uiso 1 1 calc R . . H47B H -0.0454 0.4515 0.0912 0.082 Uiso 1 1 calc R . . C48 C -0.0414(5) 0.5971(10) 0.1629(7) 0.127(4) Uani 1 1 d . . . H48A H -0.0828 0.5798 0.1462 0.153 Uiso 1 1 calc R . . H48B H -0.0185 0.6075 0.2191 0.153 Uiso 1 1 calc R . . C49 C -0.0369(6) 0.6955(12) 0.1261(7) 0.125(6) Uani 1 1 d . . . H49A H -0.0326 0.7685 0.1560 0.150 Uiso 1 1 calc R . . H49B H -0.0732 0.7036 0.0754 0.150 Uiso 1 1 calc R . . C50 C 0.0142(4) 0.6848(10) 0.1163(5) 0.058(3) Uani 1 1 d . . . H50A H 0.0055 0.7209 0.0674 0.070 Uiso 1 1 calc R . . H50B H 0.0491 0.7245 0.1587 0.070 Uiso 1 1 calc R . . C51 C 0.2644(4) 0.6897(8) 0.1337(5) 0.043(2) Uani 1 1 d . . . H51A H 0.2831 0.7195 0.1867 0.052 Uiso 1 1 calc R . . H51B H 0.2260 0.7301 0.1023 0.052 Uiso 1 1 calc R . . C52 C 0.3036(5) 0.7128(10) 0.1014(6) 0.079(3) Uani 1 1 d . . . H52A H 0.2809 0.7156 0.0449 0.095 Uiso 1 1 calc R . . H52B H 0.3265 0.7876 0.1218 0.095 Uiso 1 1 calc R . . C53 C 0.3411(3) 0.6055(9) 0.1306(5) 0.069(2) Uani 1 1 d . . . H53A H 0.3695 0.6115 0.1862 0.083 Uiso 1 1 calc R . . H53B H 0.3625 0.5919 0.1038 0.083 Uiso 1 1 calc R . . C54 C 0.2967(4) 0.5090(10) 0.1127(6) 0.063(3) Uani 1 1 d . . . H54A H 0.2763 0.4865 0.0581 0.075 Uiso 1 1 calc R . . H54B H 0.3154 0.4368 0.1443 0.075 Uiso 1 1 calc R . . Li1 Li 0.0858(6) 0.4738(13) 0.1154(8) 0.031(3) Uani 1 1 d . . . Li2 Li 0.1350(7) 0.3080(15) 0.0609(9) 0.037(4) Uani 1 1 d . . . Li3 Li 0.1945(6) 0.4708(13) 0.1305(7) 0.028(3) Uani 1 1 d . . . Li4 Li 0.1461(6) 0.3064(14) 0.1901(7) 0.024(3) Uani 1 1 d . . . O1 O 0.0234(2) 0.5574(5) 0.1166(3) 0.0304(14) Uani 1 1 d . . . O2 O 0.2570(3) 0.5630(6) 0.1314(3) 0.0431(17) Uani 1 1 d . . . Si1 Si 0.04266(9) 0.1486(2) 0.11391(12) 0.0308(6) Uani 1 1 d . . . Si2 Si 0.23764(9) 0.1497(2) 0.13425(12) 0.0309(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 C1 0.025(4) 0.023(5) 0.031(5) 0.007(4) 0.016(4) 0.006(3) C2 0.014(4) 0.024(5) 0.037(5) -0.002(4) 0.009(4) -0.001(3) C3 0.024(4) 0.021(5) 0.020(4) 0.001(3) 0.007(4) 0.002(3) C4 0.037(5) 0.018(5) 0.041(5) -0.004(4) 0.028(4) -0.008(4) C5 0.045(5) 0.052(7) 0.058(6) 0.016(5) 0.026(5) 0.006(4) C6 0.074(8) 0.025(6) 0.063(7) 0.005(5) 0.043(6) 0.004(5) C7 0.040(4) 0.041(6) 0.037(5) 0.017(4) 0.014(4) 0.007(4) C8 0.033(5) 0.027(5) 0.035(5) -0.007(4) 0.015(4) -0.011(4) C9 0.044(6) 0.037(6) 0.040(5) -0.016(5) 0.020(5) -0.009(5) C10 0.071(6) 0.066(7) 0.029(4) -0.018(4) 0.018(4) -0.005(5) C11 0.114(10) 0.091(10) 0.072(8) -0.022(6) 0.052(8) 0.008(7) C12 0.017(4) 0.023(5) 0.031(4) 0.003(3) 0.003(4) 0.005(3) C13 0.054(6) 0.059(8) 0.036(5) 0.003(5) 0.027(5) -0.006(5) C14 0.056(7) 0.076(7) 0.048(6) 0.040(5) 0.019(6) 0.024(6) C15 0.052(7) 0.067(10) 0.051(7) 0.027(6) 0.018(6) 0.027(6) C16 0.035(5) 0.058(7) 0.067(7) 0.004(6) 0.017(6) 0.022(5) C17 0.035(6) 0.037(6) 0.050(6) 0.003(5) 0.015(5) 0.002(5) C18 0.039(5) 0.023(5) 0.030(5) 0.002(4) 0.021(5) -0.007(4) C19 0.056(7) 0.030(7) 0.065(7) 0.004(5) 0.044(6) 0.003(5) C20 0.085(8) 0.026(6) 0.060(6) -0.008(5) 0.050(6) -0.008(5) C21 0.074(7) 0.032(6) 0.044(5) 0.009(5) 0.042(6) -0.006(5) C22 0.069(7) 0.036(6) 0.039(5) -0.010(4) 0.040(5) -0.006(5) C23 0.052(5) 0.033(5) 0.034(5) -0.004(4) 0.021(5) 0.010(4) C24 0.023(4) 0.021(5) 0.036(5) 0.008(4) 0.020(4) 0.008(3) C25 0.030(5) 0.023(5) 0.026(4) 0.000(4) 0.022(4) 0.002(4) C26 0.031(5) 0.026(5) 0.035(5) 0.002(4) 0.026(4) 0.002(4) C27 0.026(4) 0.025(5) 0.021(4) -0.005(3) 0.015(4) -0.005(4) C28 0.080(7) 0.044(7) 0.055(6) -0.009(5) 0.040(6) 0.022(5) C29 0.065(7) 0.025(6) 0.071(7) 0.004(5) 0.032(6) 0.009(5) C30 0.051(6) 0.050(7) 0.095(8) -0.005(5) 0.057(6) 0.014(4) C31 0.025(4) 0.029(5) 0.038(5) -0.008(4) 0.015(4) -0.003(3) C32 0.041(6) 0.043(6) 0.050(6) 0.005(5) 0.025(6) 0.016(5) C33 0.048(5) 0.087(9) 0.076(7) 0.038(6) 0.035(5) 0.040(5) C34 0.112(10) 0.089(10) 0.079(8) 0.065(7) 0.063(8) 0.063(7) C35 0.040(5) 0.028(5) 0.025(4) 0.000(3) 0.017(4) 0.009(4) C36 0.036(5) 0.037(6) 0.029(5) -0.002(4) 0.018(5) -0.005(4) C37 0.043(6) 0.044(6) 0.052(6) -0.011(5) 0.020(5) -0.008(5) C38 0.059(8) 0.084(11) 0.045(7) -0.025(6) 0.011(7) -0.033(7) C39 0.066(8) 0.097(9) 0.026(5) -0.016(5) 0.019(5) -0.017(6) C40 0.034(5) 0.054(7) 0.028(5) -0.014(4) 0.011(4) -0.016(5) C41 0.022(4) 0.025(5) 0.018(4) 0.003(4) 0.009(4) 0.000(4) C42 0.059(7) 0.027(6) 0.044(6) 0.000(4) 0.041(6) 0.001(5) C43 0.070(7) 0.023(6) 0.074(7) -0.010(5) 0.047(6) -0.006(5) C44 0.072(8) 0.031(7) 0.062(7) -0.007(5) 0.038(7) 0.015(5) C45 0.041(5) 0.049(7) 0.050(5) -0.018(4) 0.031(5) 0.009(4) C46 0.034(4) 0.025(4) 0.039(5) 0.000(4) 0.026(4) 0.012(3) C47 0.062(6) 0.054(6) 0.138(9) -0.015(5) 0.086(7) -0.006(4) C48 0.147(10) 0.097(7) 0.217(13) 0.035(9) 0.150(10) 0.058(7) C49 0.206(14) 0.123(10) 0.150(10) 0.094(9) 0.165(11) 0.126(10) C50 0.076(7) 0.048(6) 0.036(5) 0.015(4) 0.019(5) 0.011(5) C51 0.050(5) 0.021(4) 0.074(6) -0.004(4) 0.043(5) -0.022(4) C52 0.092(5) 0.065(6) 0.087(5) 0.015(5) 0.051(5) -0.034(5) C53 0.051(4) 0.095(6) 0.087(5) -0.022(5) 0.054(4) -0.018(4) C54 0.056(6) 0.046(5) 0.087(7) -0.019(5) 0.038(5) -0.003(4) Li1 0.027(7) 0.021(8) 0.036(8) 0.001(6) 0.011(7) 0.015(6) Li2 0.039(9) 0.020(9) 0.062(9) 0.001(7) 0.033(8) 0.000(7) Li3 0.032(7) 0.028(8) 0.032(7) 0.002(6) 0.023(7) 0.014(6) Li4 0.025(7) 0.027(8) 0.018(6) -0.001(6) 0.010(6) 0.000(6) O1 0.031(3) 0.023(4) 0.033(3) 0.003(2) 0.014(3) 0.011(2) O2 0.044(4) 0.030(4) 0.071(4) -0.002(3) 0.042(4) -0.001(3) Si1 0.0333(14) 0.0227(15) 0.0395(15) 0.0029(11) 0.0212(13) -0.0045(11) Si2 0.0319(14) 0.0249(16) 0.0398(15) -0.0041(12) 0.0212(13) 0.0022(12) _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 C1 C2 1.372(10) . ? C1 Si1 1.849(9) . ? C1 Li2 2.169(17) . ? C1 Li4 2.200(15) . ? C1 Li1 2.228(17) . ? C2 C3 1.536(11) . ? C2 C8 1.543(11) . ? C2 Li2 2.387(17) . ? C2 Li1 2.552(16) . ? C3 C4 1.357(11) . ? C3 C12 1.558(10) . ? C3 Li1 2.429(15) . ? C3 Li2 2.472(18) . ? C4 C18 1.500(11) . ? C4 Li2 2.100(18) . ? C4 Li1 2.268(15) . ? C4 Li3 2.293(16) . ? C5 Si1 1.839(10) . ? C5 H5A 0.9800 . ? C5 H5B 0.9800 . ? C5 H5C 0.9800 . ? C6 Si1 1.843(10) . ? C6 H6A 0.9800 . ? C6 H6B 0.9800 . ? C6 H6C 0.9800 . ? C7 Si1 1.914(9) . ? C7 H7A 0.9800 . ? C7 H7B 0.9800 . ? C7 H7C 0.9800 . ? C8 C9 1.589(12) . ? C8 H8A 0.9900 . ? C8 H8B 0.9900 . ? C9 C10 1.539(12) . ? C9 H9A 0.9900 . ? C9 H9B 0.9900 . ? C10 C11 1.568(14) . ? C10 H10A 0.9900 . ? C10 H10B 0.9900 . ? C11 H11A 0.9800 . ? C11 H11B 0.9800 . ? C11 H11C 0.9800 . ? C12 C13 1.363(11) . ? C12 C17 1.407(12) . ? C13 C14 1.381(14) . ? C13 H13 0.9500 . ? C14 C15 1.379(15) . ? C14 H14 0.9500 . ? C15 C16 1.351(14) . ? C15 H15 0.9500 . ? C16 C17 1.378(13) . ? C16 H16 0.9500 . ? C17 H17 0.9500 . ? C18 C23 1.367(11) . ? C18 C19 1.395(13) . ? C19 C20 1.388(13) . ? C19 H19 0.9500 . ? C20 C21 1.399(12) . ? C20 H20 0.9500 . ? C21 C22 1.402(13) . ? C21 H21 0.9500 . ? C22 C23 1.338(12) . ? C22 H22 0.9500 . ? C23 H23 0.9500 . ? C24 C25 1.345(10) . ? C24 Si2 1.858(9) . ? C24 Li3 2.175(16) . ? C24 Li2 2.184(17) . ? C24 Li4 2.206(16) . ? C25 C31 1.525(12) . ? C25 C26 1.540(11) . ? C25 Li4 2.356(16) . ? C25 Li3 2.587(16) . ? C26 C27 1.359(11) . ? C26 C35 1.446(12) . ? C26 Li3 2.461(15) . ? C26 Li4 2.509(17) . ? C27 C41 1.476(11) . ? C27 Li4 2.127(17) . ? C27 Li3 2.303(14) . ? C27 Li1 2.360(16) . ? C28 Si2 1.845(10) . ? C28 H28A 0.9800 . ? C28 H28B 0.9800 . ? C28 H28C 0.9800 . ? C29 Si2 1.919(10) . ? C29 H29A 0.9800 . ? C29 H29B 0.9800 . ? C29 H29C 0.9800 . ? C30 Si2 1.906(9) . ? C30 H30A 0.9800 . ? C30 H30B 0.9800 . ? C30 H30C 0.9800 . ? C31 C32 1.479(12) . ? C31 H31A 0.9900 . ? C31 H31B 0.9900 . ? C32 C33 1.446(13) . ? C32 H32A 0.9900 . ? C32 H32B 0.9900 . ? C33 C34 1.467(14) . ? C33 H33A 0.9900 . ? C33 H33B 0.9900 . ? C34 H34A 0.9800 . ? C34 H34B 0.9800 . ? C34 H34C 0.9800 . ? C35 C36 1.395(12) . ? C35 C40 1.416(11) . ? C36 C37 1.389(13) . ? C36 H36 0.9500 . ? C37 C38 1.382(14) . ? C37 H37 0.9500 . ? C38 C39 1.371(15) . ? C38 H38 0.9500 . ? C39 C40 1.372(13) . ? C39 H39 0.9500 . ? C40 H40 0.9500 . ? C41 C42 1.401(12) . ? C41 C46 1.422(10) . ? C42 C43 1.400(13) . ? C42 H42 0.9500 . ? C43 C44 1.332(13) . ? C43 H43 0.9500 . ? C44 C45 1.357(14) . ? C44 H44 0.9500 . ? C45 C46 1.445(11) . ? C45 H45 0.9500 . ? C46 H46 0.9500 . ? C47 O1 1.437(10) . ? C47 C48 1.597(13) . ? C47 H47A 0.9900 . ? C47 H47B 0.9900 . ? C48 C49 1.374(14) . ? C48 H48A 0.9900 . ? C48 H48B 0.9900 . ? C49 C50 1.482(13) . ? C49 H49A 0.9900 . ? C49 H49B 0.9900 . ? C50 O1 1.442(12) . ? C50 H50A 0.9900 . ? C50 H50B 0.9900 . ? C51 O2 1.425(11) . ? C51 C52 1.522(12) . ? C51 H51A 0.9900 . ? C51 H51B 0.9900 . ? C52 C53 1.474(15) . ? C52 H52A 0.9900 . ? C52 H52B 0.9900 . ? C53 C54 1.500(12) . ? C53 H53A 0.9900 . ? C53 H53B 0.9900 . ? C54 O2 1.434(11) . ? C54 H54A 0.9900 . ? C54 H54B 0.9900 . ? Li1 O1 1.922(13) . ? Li1 Li4 2.422(19) . ? Li1 Li3 2.754(6) . ? Li1 Li2 2.81(2) . ? Li2 Li3 2.35(2) . ? Li2 Li4 2.506(8) . ? Li3 O2 1.952(15) . ? Li3 Li4 2.86(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 C2 C1 Si1 123.2(6) . . ? C2 C1 Li2 81.4(6) . . ? Si1 C1 Li2 129.4(6) . . ? C2 C1 Li4 143.4(7) . . ? Si1 C1 Li4 93.0(5) . . ? Li2 C1 Li4 70.0(5) . . ? C2 C1 Li1 86.9(7) . . ? Si1 C1 Li1 137.8(5) . . ? Li2 C1 Li1 79.6(6) . . ? Li4 C1 Li1 66.3(6) . . ? C1 C2 C3 121.8(7) . . ? C1 C2 C8 123.8(8) . . ? C3 C2 C8 113.8(7) . . ? C1 C2 Li2 64.0(6) . . ? C3 C2 Li2 74.6(5) . . ? C8 C2 Li2 129.1(7) . . ? C1 C2 Li1 60.7(6) . . ? C3 C2 Li1 67.7(5) . . ? C8 C2 Li1 161.5(6) . . ? Li2 C2 Li1 69.4(5) . . ? C4 C3 C2 122.4(7) . . ? C4 C3 C12 123.1(8) . . ? C2 C3 C12 114.2(6) . . ? C4 C3 Li1 66.8(6) . . ? C2 C3 Li1 76.5(5) . . ? C12 C3 Li1 126.3(6) . . ? C4 C3 Li2 58.1(6) . . ? C2 C3 Li2 68.6(5) . . ? C12 C3 Li2 163.5(7) . . ? Li1 C3 Li2 70.1(5) . . ? C3 C4 C18 116.5(8) . . ? C3 C4 Li2 88.6(7) . . ? C18 C4 Li2 145.3(7) . . ? C3 C4 Li1 79.8(6) . . ? C18 C4 Li1 125.4(7) . . ? Li2 C4 Li1 80.1(6) . . ? C3 C4 Li3 145.0(7) . . ? C18 C4 Li3 97.7(6) . . ? Li2 C4 Li3 64.4(6) . . ? Li1 C4 Li3 74.3(5) . . ? Si1 C5 H5A 109.5 . . ? Si1 C5 H5B 109.5 . . ? H5A C5 H5B 109.5 . . ? Si1 C5 H5C 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? Si1 C6 H6A 109.5 . . ? Si1 C6 H6B 109.5 . . ? H6A C6 H6B 109.5 . . ? Si1 C6 H6C 109.5 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? Si1 C7 H7A 109.5 . . ? Si1 C7 H7B 109.5 . . ? H7A C7 H7B 109.5 . . ? Si1 C7 H7C 109.5 . . ? H7A C7 H7C 109.5 . . ? H7B C7 H7C 109.5 . . ? C2 C8 C9 109.2(7) . . ? C2 C8 H8A 109.8 . . ? C9 C8 H8A 109.8 . . ? C2 C8 H8B 109.8 . . ? C9 C8 H8B 109.8 . . ? H8A C8 H8B 108.3 . . ? C10 C9 C8 112.5(8) . . ? C10 C9 H9A 109.1 . . ? C8 C9 H9A 109.1 . . ? C10 C9 H9B 109.1 . . ? C8 C9 H9B 109.1 . . ? H9A C9 H9B 107.8 . . ? C9 C10 C11 110.5(9) . . ? C9 C10 H10A 109.6 . . ? C11 C10 H10A 109.6 . . ? C9 C10 H10B 109.6 . . ? C11 C10 H10B 109.6 . . ? H10A C10 H10B 108.1 . . ? C10 C11 H11A 109.5 . . ? C10 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? C10 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? C13 C12 C17 118.8(8) . . ? C13 C12 C3 124.1(8) . . ? C17 C12 C3 117.2(8) . . ? C12 C13 C14 121.3(10) . . ? C12 C13 H13 119.3 . . ? C14 C13 H13 119.3 . . ? C15 C14 C13 119.4(10) . . ? C15 C14 H14 120.3 . . ? C13 C14 H14 120.3 . . ? C16 C15 C14 119.3(10) . . ? C16 C15 H15 120.3 . . ? C14 C15 H15 120.3 . . ? C15 C16 C17 122.0(10) . . ? C15 C16 H16 119.0 . . ? C17 C16 H16 119.0 . . ? C16 C17 C12 118.5(9) . . ? C16 C17 H17 120.7 . . ? C12 C17 H17 120.7 . . ? C23 C18 C19 115.2(9) . . ? C23 C18 C4 121.9(9) . . ? C19 C18 C4 122.8(7) . . ? C20 C19 C18 121.5(9) . . ? C20 C19 H19 119.2 . . ? C18 C19 H19 119.2 . . ? C19 C20 C21 120.9(10) . . ? C19 C20 H20 119.6 . . ? C21 C20 H20 119.6 . . ? C20 C21 C22 116.6(9) . . ? C20 C21 H21 121.7 . . ? C22 C21 H21 121.7 . . ? C23 C22 C21 120.2(8) . . ? C23 C22 H22 119.9 . . ? C21 C22 H22 119.9 . . ? C22 C23 C18 125.3(9) . . ? C22 C23 H23 117.3 . . ? C18 C23 H23 117.3 . . ? C25 C24 Si2 122.6(6) . . ? C25 C24 Li3 91.5(7) . . ? Si2 C24 Li3 136.9(5) . . ? C25 C24 Li2 142.9(7) . . ? Si2 C24 Li2 92.7(5) . . ? Li3 C24 Li2 65.1(6) . . ? C25 C24 Li4 79.0(6) . . ? Si2 C24 Li4 126.9(6) . . ? Li3 C24 Li4 81.4(6) . . ? Li2 C24 Li4 69.6(5) . . ? C24 C25 C31 126.5(8) . . ? C24 C25 C26 121.2(7) . . ? C31 C25 C26 112.2(6) . . ? C24 C25 Li4 66.9(5) . . ? C31 C25 Li4 127.6(6) . . ? C26 C25 Li4 77.1(6) . . ? C24 C25 Li3 57.2(6) . . ? C31 C25 Li3 161.9(6) . . ? C26 C25 Li3 67.8(5) . . ? Li4 C25 Li3 70.5(5) . . ? C27 C26 C35 123.2(8) . . ? C27 C26 C25 120.5(8) . . ? C35 C26 C25 116.3(7) . . ? C27 C26 Li3 67.1(5) . . ? C35 C26 Li3 127.9(7) . . ? C25 C26 Li3 76.7(5) . . ? C27 C26 Li4 58.0(6) . . ? C35 C26 Li4 161.8(6) . . ? C25 C26 Li4 66.2(5) . . ? Li3 C26 Li4 70.2(5) . . ? C26 C27 C41 119.5(7) . . ? C26 C27 Li4 89.2(7) . . ? C41 C27 Li4 142.5(7) . . ? C26 C27 Li3 79.9(6) . . ? C41 C27 Li3 125.3(7) . . ? Li4 C27 Li3 80.2(6) . . ? C26 C27 Li1 144.7(7) . . ? C41 C27 Li1 94.6(6) . . ? Li4 C27 Li1 65.1(5) . . ? Li3 C27 Li1 72.4(5) . . ? Si2 C28 H28A 109.5 . . ? Si2 C28 H28B 109.5 . . ? H28A C28 H28B 109.5 . . ? Si2 C28 H28C 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? Si2 C29 H29A 109.5 . . ? Si2 C29 H29B 109.5 . . ? H29A C29 H29B 109.5 . . ? Si2 C29 H29C 109.5 . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? Si2 C30 H30A 109.5 . . ? Si2 C30 H30B 109.5 . . ? H30A C30 H30B 109.5 . . ? Si2 C30 H30C 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? C32 C31 C25 113.4(7) . . ? C32 C31 H31A 108.9 . . ? C25 C31 H31A 108.9 . . ? C32 C31 H31B 108.9 . . ? C25 C31 H31B 108.9 . . ? H31A C31 H31B 107.7 . . ? C33 C32 C31 118.6(8) . . ? C33 C32 H32A 107.7 . . ? C31 C32 H32A 107.7 . . ? C33 C32 H32B 107.7 . . ? C31 C32 H32B 107.7 . . ? H32A C32 H32B 107.1 . . ? C32 C33 C34 117.1(9) . . ? C32 C33 H33A 108.0 . . ? C34 C33 H33A 108.0 . . ? C32 C33 H33B 108.0 . . ? C34 C33 H33B 108.0 . . ? H33A C33 H33B 107.3 . . ? C33 C34 H34A 109.5 . . ? C33 C34 H34B 109.5 . . ? H34A C34 H34B 109.5 . . ? C33 C34 H34C 109.5 . . ? H34A C34 H34C 109.5 . . ? H34B C34 H34C 109.5 . . ? C36 C35 C40 115.6(8) . . ? C36 C35 C26 120.9(7) . . ? C40 C35 C26 123.4(8) . . ? C37 C36 C35 123.6(8) . . ? C37 C36 H36 118.2 . . ? C35 C36 H36 118.2 . . ? C38 C37 C36 118.0(10) . . ? C38 C37 H37 121.0 . . ? C36 C37 H37 121.0 . . ? C39 C38 C37 120.2(10) . . ? C39 C38 H38 119.9 . . ? C37 C38 H38 119.9 . . ? C40 C39 C38 121.1(10) . . ? C40 C39 H39 119.5 . . ? C38 C39 H39 119.5 . . ? C39 C40 C35 121.0(9) . . ? C39 C40 H40 119.5 . . ? C35 C40 H40 119.5 . . ? C42 C41 C46 117.9(8) . . ? C42 C41 C27 122.6(7) . . ? C46 C41 C27 119.5(8) . . ? C43 C42 C41 120.5(8) . . ? C43 C42 H42 119.7 . . ? C41 C42 H42 119.7 . . ? C44 C43 C42 120.8(10) . . ? C44 C43 H43 119.6 . . ? C42 C43 H43 119.6 . . ? C43 C44 C45 122.6(10) . . ? C43 C44 H44 118.7 . . ? C45 C44 H44 118.7 . . ? C44 C45 C46 119.0(8) . . ? C44 C45 H45 120.5 . . ? C46 C45 H45 120.5 . . ? C41 C46 C45 119.1(8) . . ? C41 C46 H46 120.5 . . ? C45 C46 H46 120.5 . . ? O1 C47 C48 104.9(8) . . ? O1 C47 H47A 110.8 . . ? C48 C47 H47A 110.8 . . ? O1 C47 H47B 110.8 . . ? C48 C47 H47B 110.8 . . ? H47A C47 H47B 108.8 . . ? C49 C48 C47 101.2(8) . . ? C49 C48 H48A 111.5 . . ? C47 C48 H48A 111.5 . . ? C49 C48 H48B 111.5 . . ? C47 C48 H48B 111.5 . . ? H48A C48 H48B 109.3 . . ? C48 C49 C50 111.1(9) . . ? C48 C49 H49A 109.4 . . ? C50 C49 H49A 109.4 . . ? C48 C49 H49B 109.4 . . ? C50 C49 H49B 109.4 . . ? H49A C49 H49B 108.0 . . ? O1 C50 C49 104.2(9) . . ? O1 C50 H50A 110.9 . . ? C49 C50 H50A 110.9 . . ? O1 C50 H50B 110.9 . . ? C49 C50 H50B 110.9 . . ? H50A C50 H50B 108.9 . . ? O2 C51 C52 105.6(8) . . ? O2 C51 H51A 110.6 . . ? C52 C51 H51A 110.6 . . ? O2 C51 H51B 110.6 . . ? C52 C51 H51B 110.6 . . ? H51A C51 H51B 108.8 . . ? C53 C52 C51 99.3(7) . . ? C53 C52 H52A 111.9 . . ? C51 C52 H52A 111.9 . . ? C53 C52 H52B 111.9 . . ? C51 C52 H52B 111.9 . . ? H52A C52 H52B 109.6 . . ? C52 C53 C54 101.6(8) . . ? C52 C53 H53A 111.4 . . ? C54 C53 H53A 111.4 . . ? C52 C53 H53B 111.4 . . ? C54 C53 H53B 111.4 . . ? H53A C53 H53B 109.3 . . ? O2 C54 C53 103.4(8) . . ? O2 C54 H54A 111.1 . . ? C53 C54 H54A 111.1 . . ? O2 C54 H54B 111.1 . . ? C53 C54 H54B 111.1 . . ? H54A C54 H54B 109.0 . . ? O1 Li1 C1 112.1(7) . . ? O1 Li1 C4 125.3(7) . . ? C1 Li1 C4 84.4(6) . . ? O1 Li1 C27 115.5(7) . . ? C1 Li1 C27 109.0(6) . . ? C4 Li1 C27 105.9(6) . . ? O1 Li1 Li4 131.5(8) . . ? C1 Li1 Li4 56.3(5) . . ? C4 Li1 Li4 101.7(6) . . ? C27 Li1 Li4 52.8(5) . . ? O1 Li1 C3 104.8(6) . . ? C1 Li1 C3 66.0(5) . . ? C4 Li1 C3 33.4(3) . . ? C27 Li1 C3 137.0(6) . . ? Li4 Li1 C3 109.3(6) . . ? O1 Li1 C2 103.2(6) . . ? C1 Li1 C2 32.5(3) . . ? C4 Li1 C2 63.2(4) . . ? C27 Li1 C2 136.1(6) . . ? Li4 Li1 C2 86.2(6) . . ? C3 Li1 C2 35.8(3) . . ? O1 Li1 Li3 151.0(10) . . ? C1 Li1 Li3 96.8(7) . . ? C4 Li1 Li3 53.3(4) . . ? C27 Li1 Li3 52.9(4) . . ? Li4 Li1 Li3 66.7(6) . . ? C3 Li1 Li3 84.5(4) . . ? C2 Li1 Li3 100.2(5) . . ? O1 Li1 Li2 155.7(8) . . ? C1 Li1 Li2 49.3(5) . . ? C4 Li1 Li2 47.3(5) . . ? C27 Li1 Li2 87.8(5) . . ? Li4 Li1 Li2 56.6(4) . . ? C3 Li1 Li2 55.7(5) . . ? C2 Li1 Li2 52.5(4) . . ? Li3 Li1 Li2 49.8(5) . . ? C4 Li2 C1 90.1(7) . . ? C4 Li2 C24 119.0(8) . . ? C1 Li2 C24 109.6(7) . . ? C4 Li2 Li3 61.8(6) . . ? C1 Li2 Li3 111.8(7) . . ? C24 Li2 Li3 57.3(5) . . ? C4 Li2 C2 68.5(5) . . ? C1 Li2 C2 34.6(3) . . ? C24 Li2 C2 143.6(7) . . ? Li3 Li2 C2 118.6(8) . . ? C4 Li2 C3 33.3(4) . . ? C1 Li2 C3 66.1(5) . . ? C24 Li2 C3 147.1(8) . . ? Li3 Li2 C3 92.9(7) . . ? C2 Li2 C3 36.8(4) . . ? C4 Li2 Li4 104.0(9) . . ? C1 Li2 Li4 55.6(4) . . ? C24 Li2 Li4 55.6(4) . . ? Li3 Li2 Li4 72.1(7) . . ? C2 Li2 Li4 88.1(4) . . ? C3 Li2 Li4 105.3(6) . . ? C4 Li2 Li1 52.5(5) . . ? C1 Li2 Li1 51.1(5) . . ? C24 Li2 Li1 96.5(6) . . ? Li3 Li2 Li1 63.7(4) . . ? C2 Li2 Li1 58.1(5) . . ? C3 Li2 Li1 54.2(4) . . ? Li4 Li2 Li1 53.8(6) . . ? O2 Li3 C24 113.9(6) . . ? O2 Li3 C4 115.4(7) . . ? C24 Li3 C4 111.4(7) . . ? O2 Li3 C27 121.3(7) . . ? C24 Li3 C27 83.9(6) . . ? C4 Li3 C27 106.9(6) . . ? O2 Li3 Li2 136.0(7) . . ? C24 Li3 Li2 57.6(6) . . ? C4 Li3 Li2 53.8(6) . . ? C27 Li3 Li2 101.6(7) . . ? O2 Li3 C26 102.3(6) . . ? C24 Li3 C26 65.4(5) . . ? C4 Li3 C26 138.0(6) . . ? C27 Li3 C26 32.9(3) . . ? Li2 Li3 C26 109.4(7) . . ? O2 Li3 C25 104.9(6) . . ? C24 Li3 C25 31.3(3) . . ? C4 Li3 C25 136.2(7) . . ? C27 Li3 C25 61.7(4) . . ? Li2 Li3 C25 85.6(6) . . ? C26 Li3 C25 35.4(3) . . ? O2 Li3 Li1 147.1(9) . . ? C24 Li3 Li1 98.5(7) . . ? C4 Li3 Li1 52.4(4) . . ? C27 Li3 Li1 54.8(4) . . ? Li2 Li3 Li1 66.4(6) . . ? C26 Li3 Li1 85.8(4) . . ? C25 Li3 Li1 100.0(5) . . ? O2 Li3 Li4 155.3(7) . . ? C24 Li3 Li4 49.8(5) . . ? C4 Li3 Li4 89.1(6) . . ? C27 Li3 Li4 47.2(4) . . ? Li2 Li3 Li4 56.5(4) . . ? C26 Li3 Li4 55.7(4) . . ? C25 Li3 Li4 51.0(4) . . ? Li1 Li3 Li4 51.1(5) . . ? C27 Li4 C1 119.4(7) . . ? C27 Li4 C24 87.4(6) . . ? C1 Li4 C24 107.6(6) . . ? C27 Li4 C25 68.2(5) . . ? C1 Li4 C25 141.4(6) . . ? C24 Li4 C25 34.1(3) . . ? C27 Li4 Li1 62.1(6) . . ? C1 Li4 Li1 57.4(5) . . ? C24 Li4 Li1 108.3(7) . . ? C25 Li4 Li1 117.8(7) . . ? C27 Li4 Li2 101.7(8) . . ? C1 Li4 Li2 54.4(4) . . ? C24 Li4 Li2 54.8(4) . . ? C25 Li4 Li2 87.2(4) . . ? Li1 Li4 Li2 69.6(6) . . ? C27 Li4 C26 32.8(4) . . ? C1 Li4 C26 145.7(7) . . ? C24 Li4 C26 64.1(5) . . ? C25 Li4 C26 36.7(3) . . ? Li1 Li4 C26 92.3(7) . . ? Li2 Li4 C26 103.0(6) . . ? C27 Li4 Li3 52.6(5) . . ? C1 Li4 Li3 94.5(5) . . ? C24 Li4 Li3 48.8(4) . . ? C25 Li4 Li3 58.5(5) . . ? Li1 Li4 Li3 62.2(4) . . ? Li2 Li4 Li3 51.4(6) . . ? C26 Li4 Li3 54.1(4) . . ? C47 O1 C50 109.8(7) . . ? C47 O1 Li1 120.1(7) . . ? C50 O1 Li1 128.7(7) . . ? C51 O2 C54 108.5(7) . . ? C51 O2 Li3 128.8(6) . . ? C54 O2 Li3 121.5(7) . . ? C5 Si1 C6 107.6(5) . . ? C5 Si1 C1 116.0(4) . . ? C6 Si1 C1 114.9(4) . . ? C5 Si1 C7 106.8(4) . . ? C6 Si1 C7 105.3(4) . . ? C1 Si1 C7 105.3(4) . . ? C28 Si2 C24 108.0(4) . . ? C28 Si2 C30 104.0(5) . . ? C24 Si2 C30 113.1(4) . . ? C28 Si2 C29 105.9(5) . . ? C24 Si2 C29 117.1(4) . . ? C30 Si2 C29 107.8(5) . . ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 27.48 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 0.247 _refine_diff_density_min -0.392 _refine_diff_density_rms 0.075