# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx
_database_code_depnum_ccdc_archive 'CCDC 1561388'
_audit_update_record             
;
2017-07-10 deposited with the CCDC.
2017-09-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        
(η⁵-3,4-diphenyl-1-(2,4,6-trimethylphenyl)-2,5-bis(trimethylsilyl)-1-silacyclopentadien-1-yl)-tetrahydrofuran-lithium
_chemical_name_common            ?
_chemical_melting_point          'decomp. above 333K'
_chemical_formula_moiety         'C35 H47 Li O Si3'
_chemical_formula_sum            'C35 H47 Li O Si3'
_chemical_formula_weight         574.93

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0008 0.0003 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   11.8347(3)
_cell_length_b                   19.7159(5)
_cell_length_c                   14.9148(4)
_cell_angle_alpha                90
_cell_angle_beta                 91.806(7)
_cell_angle_gamma                90
_cell_volume                     3478.37(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    112(2)
_cell_measurement_reflns_used    45071
_cell_measurement_theta_min      2.97
_cell_measurement_theta_max      68.28

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.098
_exptl_crystal_F_000             1240
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.230
_exptl_absorpt_coefficient_mu    1.426
_shelx_estimated_absorpt_T_min   0.691
_shelx_estimated_absorpt_T_max   0.735
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.9248
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   
;
T.Higashi, Numerical Absorption Correction, NUMABS, 2002
T.Higashi, Empirical Absorption Correction, 2001
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      112(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Rigaku RAXIS RAPID conversion'
_diffrn_measurement_method       dtprofit.ref
_diffrn_measurement_details      
;
 scan:  N=1,PHI=0.0,CHI=54.0,OMEGA=25.0,260.0,5.0,COUPLE=0.00                  
 scan:  N=2,PHI=90.0,CHI=54.0,OMEGA=25.0,260.0,5.0,COUPLE=0.00                 
 scan:  N=3,PHI=180.0,CHI=54.0,OMEGA=25.0,260.0,5.0,COUPLE=0.00                
 scan:  N=4,PHI=270.0,CHI=54.0,OMEGA=25.0,260.0,5.0,COUPLE=0.00                
 scan:  N=5,PHI=0.0,CHI=0.0,OMEGA=25.0,260.0,5.0,COUPLE=0.00                   
 Orientation Matrix:
    UB11 -0.0723 UB12  0.0047 UB13 -0.0360
    UB21 -0.0409 UB22  0.0107 UB23  0.0559
    UB31  0.0158 UB32  0.0494 UB33 -0.0087
    Matrix type: 'd*Trek'
;
_diffrn_reflns_number            52455
_diffrn_reflns_av_unetI/netI     0.0536
_diffrn_reflns_av_R_equivalents  0.0451
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.964
_diffrn_reflns_theta_max         68.232
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_point_group_measured_fraction_full 0.988
_reflns_number_total             12555
_reflns_number_gt                11275
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.919
_reflns_Friedel_fraction_max     0.976
_reflns_Friedel_fraction_full    0.979

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Crystal Clear V.1.4.1 (Rigaku/MSC, 2007)'
_computing_cell_refinement       'Crystal Clear V.1.4.1 (Rigaku/MSC, 2007)'
_computing_data_reduction        'Crystal Clear V.1.4.1 (Rigaku/MSC, 2007)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'PLATON (Spek, 2009)'
# Spek, A. L. (2009). Acta Cryst. D65, 148--155. 
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0315P)²+2.7635P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   direct
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 4581 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.040(6)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         12555
_refine_ls_number_parameters     739
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0558
_refine_ls_R_factor_gt           0.0469
_refine_ls_wR_factor_ref         0.1061
_refine_ls_wR_factor_gt          0.0988
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.045
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1_1 Si 0.84454(10) 0.13653(6) 0.49212(8) 0.0253(3) Uani 1 1 d . . . . .
Si2_1 Si 0.93830(10) -0.01835(6) 0.48350(8) 0.0280(3) Uani 1 1 d . . . . .
Si3_1 Si 0.70906(10) 0.25743(6) 0.59446(8) 0.0277(3) Uani 1 1 d . . . . .
C2_1 C 0.8579(4) 0.0517(2) 0.5342(3) 0.0254(10) Uani 1 1 d . . . . .
C3_1 C 0.8225(4) 0.0563(2) 0.6263(3) 0.0240(9) Uani 1 1 d . . . . .
C4_1 C 0.7821(3) 0.1202(2) 0.6543(3) 0.0229(9) Uani 1 1 d . . . . .
C5_1 C 0.7770(4) 0.1732(2) 0.5863(3) 0.0249(10) Uani 1 1 d . . . . .
C6_1 C 0.8607(3) 0.1726(2) 0.3776(3) 0.0250(9) Uani 1 1 d . . . . .
C7_1 C 0.8035(4) 0.1463(2) 0.3007(3) 0.0269(10) Uani 1 1 d . . . . .
C8_1 C 0.8139(4) 0.1787(2) 0.2190(3) 0.0315(11) Uani 1 1 d . . . . .
H8_1 H 0.7775 0.1594 0.1673 0.038 Uiso 1 1 calc R U . . .
C9_1 C 0.8746(4) 0.2378(2) 0.2093(3) 0.0292(10) Uani 1 1 d . . . . .
C10_1 C 0.9332(4) 0.2627(2) 0.2851(3) 0.0300(10) Uani 1 1 d . . . . .
H10_1 H 0.9777 0.3025 0.2798 0.036 Uiso 1 1 calc R U . . .
C11_1 C 0.9282(4) 0.2312(2) 0.3677(3) 0.0235(9) Uani 1 1 d . . . . .
C12_1 C 0.7268(4) 0.0854(3) 0.3042(3) 0.0407(13) Uani 1 1 d . . . . .
H12A_1 H 0.7486 0.0573 0.3562 0.061 Uiso 1 1 calc R U . . .
H12B_1 H 0.7335 0.0587 0.2492 0.061 Uiso 1 1 calc R U . . .
H12C_1 H 0.6484 0.1005 0.3096 0.061 Uiso 1 1 calc R U . . .
C13_1 C 0.8762(5) 0.2741(3) 0.1209(3) 0.0476(14) Uani 1 1 d . . . . .
H13A_1 H 0.9525 0.2913 0.1111 0.071 Uiso 1 1 calc R U . . .
H13B_1 H 0.8228 0.3120 0.1213 0.071 Uiso 1 1 calc R U . . .
H13C_1 H 0.8543 0.2425 0.0727 0.071 Uiso 1 1 calc R U . . .
C14_1 C 0.9948(4) 0.2616(2) 0.4461(3) 0.0296(10) Uani 1 1 d . . . . .
H14A_1 H 1.0284 0.2251 0.4827 0.044 Uiso 1 1 calc R U . . .
H14B_1 H 0.9442 0.2886 0.4826 0.044 Uiso 1 1 calc R U . . .
H14C_1 H 1.0548 0.2907 0.4237 0.044 Uiso 1 1 calc R U . . .
C15_1 C 0.8462(5) -0.0894(3) 0.4400(4) 0.0439(13) Uani 1 1 d . . . . .
H15A_1 H 0.8929 -0.1232 0.4104 0.066 Uiso 1 1 calc R U . . .
H15B_1 H 0.7898 -0.0714 0.3968 0.066 Uiso 1 1 calc R U . . .
H15C_1 H 0.8078 -0.1106 0.4900 0.066 Uiso 1 1 calc R U . . .
C16_1 C 1.0165(4) 0.0153(3) 0.3858(3) 0.0400(12) Uani 1 1 d . . . . .
H16A_1 H 1.0582 -0.0217 0.3580 0.060 Uiso 1 1 calc R U . . .
H16B_1 H 1.0697 0.0505 0.4066 0.060 Uiso 1 1 calc R U . . .
H16C_1 H 0.9626 0.0348 0.3417 0.060 Uiso 1 1 calc R U . . .
C17_1 C 1.0469(4) -0.0534(3) 0.5641(3) 0.0357(11) Uani 1 1 d . . . . .
H17A_1 H 1.0994 -0.0822 0.5318 0.054 Uiso 1 1 calc R U . . .
H17B_1 H 1.0096 -0.0804 0.6098 0.054 Uiso 1 1 calc R U . . .
H17C_1 H 1.0887 -0.0160 0.5930 0.054 Uiso 1 1 calc R U . . .
C18_1 C 0.8339(3) -0.0026(2) 0.6888(3) 0.0248(10) Uani 1 1 d . . . . .
C19_1 C 0.7701(4) -0.0607(2) 0.6764(3) 0.0324(11) Uani 1 1 d . . . . .
H19_1 H 0.7164 -0.0630 0.6278 0.039 Uiso 1 1 calc R U . . .
C20_1 C 0.7833(4) -0.1159(2) 0.7338(4) 0.0365(12) Uani 1 1 d . . . . .
H20_1 H 0.7383 -0.1554 0.7245 0.044 Uiso 1 1 calc R U . . .
C21_1 C 0.8619(4) -0.1134(2) 0.8042(3) 0.0355(12) Uani 1 1 d . . . . .
H21_1 H 0.8715 -0.1511 0.8434 0.043 Uiso 1 1 calc R U . . .
C22_1 C 0.9259(4) -0.0561(3) 0.8172(3) 0.0357(11) Uani 1 1 d . . . . .
H22_1 H 0.9803 -0.0543 0.8654 0.043 Uiso 1 1 calc R U . . .
C23_1 C 0.9122(4) -0.0010(2) 0.7609(3) 0.0306(11) Uani 1 1 d . . . . .
H23_1 H 0.9566 0.0385 0.7713 0.037 Uiso 1 1 calc R U . . .
C24_1 C 0.7474(3) 0.1349(2) 0.7474(3) 0.0250(9) Uani 1 1 d . . . . .
C25_1 C 0.6586(4) 0.1027(2) 0.7894(3) 0.0303(10) Uani 1 1 d . . . . .
H25_1 H 0.6224 0.0652 0.7606 0.036 Uiso 1 1 calc R U . . .
C26_1 C 0.6219(4) 0.1238(3) 0.8718(3) 0.0360(11) Uani 1 1 d . . . . .
H26_1 H 0.5602 0.1015 0.8984 0.043 Uiso 1 1 calc R U . . .
C27_1 C 0.6751(4) 0.1773(3) 0.9156(3) 0.0373(12) Uani 1 1 d . . . . .
H27_1 H 0.6495 0.1923 0.9719 0.045 Uiso 1 1 calc R U . . .
C28_1 C 0.7652(4) 0.2088(3) 0.8772(3) 0.0344(11) Uani 1 1 d . . . . .
H28_1 H 0.8025 0.2452 0.9076 0.041 Uiso 1 1 calc R U . . .
C29_1 C 0.8020(4) 0.1878(2) 0.7944(3) 0.0278(10) Uani 1 1 d . . . . .
H29_1 H 0.8652 0.2096 0.7691 0.033 Uiso 1 1 calc R U . . .
C30_1 C 0.5748(4) 0.2552(3) 0.6575(4) 0.0424(12) Uani 1 1 d . . . . .
H30A_1 H 0.5357 0.2988 0.6508 0.064 Uiso 1 1 calc R U . . .
H30B_1 H 0.5924 0.2467 0.7212 0.064 Uiso 1 1 calc R U . . .
H30C_1 H 0.5261 0.2189 0.6336 0.064 Uiso 1 1 calc R U . . .
C31_1 C 0.8010(4) 0.3257(2) 0.6471(3) 0.0377(12) Uani 1 1 d . . . . .
H31A_1 H 0.7730 0.3703 0.6278 0.057 Uiso 1 1 calc R U . . .
H31B_1 H 0.8790 0.3199 0.6281 0.057 Uiso 1 1 calc R U . . .
H31C_1 H 0.7989 0.3223 0.7126 0.057 Uiso 1 1 calc R U . . .
C32_1 C 0.6710(4) 0.2857(3) 0.4765(3) 0.0378(12) Uani 1 1 d . . . . .
H32A_1 H 0.6192 0.3243 0.4785 0.057 Uiso 1 1 calc R U . . .
H32B_1 H 0.6344 0.2482 0.4436 0.057 Uiso 1 1 calc R U . . .
H32C_1 H 0.7398 0.2991 0.4462 0.057 Uiso 1 1 calc R U . . .
Li2_1 Li 0.6677(7) 0.0788(4) 0.5480(6) 0.0347(19) Uani 1 1 d . . . . .
O1S_1 O 0.5242(3) 0.04278(18) 0.5203(2) 0.0392(8) Uani 1 1 d . . . . .
C2S_1 C 0.4704(5) -0.0096(3) 0.5714(4) 0.0535(15) Uani 1 1 d . . . . .
H2S1_1 H 0.4642 0.0046 0.6347 0.064 Uiso 1 1 calc R U . . .
H2S2_1 H 0.5149 -0.0521 0.5697 0.064 Uiso 1 1 calc R U . . .
C3S_1 C 0.3566(5) -0.0200(4) 0.5294(6) 0.083(2) Uani 1 1 d . . . . .
H3S1_1 H 0.3453 -0.0684 0.5138 0.100 Uiso 1 1 calc R U . . .
H3S2_1 H 0.2975 -0.0063 0.5712 0.100 Uiso 1 1 calc R U . . .
C4S_1 C 0.3503(6) 0.0221(5) 0.4478(5) 0.091(3) Uani 1 1 d . . . . .
H4S1_1 H 0.3260 -0.0056 0.3953 0.110 Uiso 1 1 calc R U . . .
H4S2_1 H 0.2953 0.0594 0.4549 0.110 Uiso 1 1 calc R U . . .
C5S_1 C 0.4641(5) 0.0495(4) 0.4354(4) 0.0589(17) Uani 1 1 d . . . . .
H5S1_1 H 0.5029 0.0238 0.3884 0.071 Uiso 1 1 calc R U . . .
H5S2_1 H 0.4598 0.0978 0.4173 0.071 Uiso 1 1 calc R U . . .
Si1_2 Si 0.33336(10) 0.13298(6) 0.05366(8) 0.0277(3) Uani 1 1 d . . . . .
Si2_2 Si 0.23879(11) 0.25684(6) -0.07345(9) 0.0304(3) Uani 1 1 d . . . . .
Si3_2 Si 0.39754(12) -0.02609(7) 0.08541(9) 0.0350(3) Uani 1 1 d . . . . .
C2_2 C 0.2714(4) 0.1672(2) -0.0471(3) 0.0276(10) Uani 1 1 d . . . . .
C3_2 C 0.2799(4) 0.1125(2) -0.1120(3) 0.0253(10) Uani 1 1 d . . . . .
C4_2 C 0.3226(3) 0.0498(2) -0.0791(3) 0.0243(9) Uani 1 1 d . . . . .
C5_2 C 0.3496(4) 0.0470(2) 0.0164(3) 0.0263(10) Uani 1 1 d . . . . .
C6_2 C 0.3320(4) 0.1682(2) 0.1706(3) 0.0257(9) Uani 1 1 d . . . . .
C7_2 C 0.2368(4) 0.1641(2) 0.2244(3) 0.0253(10) Uani 1 1 d . . . . .
C8_2 C 0.2421(4) 0.1910(2) 0.3116(3) 0.0300(10) Uani 1 1 d . . . . .
H8_2 H 0.1776 0.1882 0.3477 0.036 Uiso 1 1 calc R U . . .
C9_2 C 0.3391(4) 0.2217(2) 0.3460(3) 0.0274(10) Uani 1 1 d . . . . .
C10_2 C 0.4330(4) 0.2255(2) 0.2921(3) 0.0282(10) Uani 1 1 d . . . . .
H10_2 H 0.5003 0.2463 0.3152 0.034 Uiso 1 1 calc R U . . .
C11_2 C 0.4306(4) 0.1997(2) 0.2058(3) 0.0270(10) Uani 1 1 d . . . . .
C12_2 C 0.1278(4) 0.1324(3) 0.1914(3) 0.0354(11) Uani 1 1 d . . . . .
H12A_2 H 0.1400 0.0842 0.1791 0.053 Uiso 1 1 calc R U . . .
H12B_2 H 0.1013 0.1552 0.1363 0.053 Uiso 1 1 calc R U . . .
H12C_2 H 0.0708 0.1372 0.2373 0.053 Uiso 1 1 calc R U . . .
C13_2 C 0.3423(4) 0.2529(3) 0.4388(3) 0.0410(12) Uani 1 1 d . . . . .
H13A_2 H 0.4068 0.2346 0.4738 0.062 Uiso 1 1 calc R U . . .
H13B_2 H 0.2721 0.2421 0.4689 0.062 Uiso 1 1 calc R U . . .
H13C_2 H 0.3500 0.3022 0.4338 0.062 Uiso 1 1 calc R U . . .
C14_2 C 0.5343(4) 0.2069(3) 0.1505(3) 0.0376(12) Uani 1 1 d . . . . .
H14A_2 H 0.5557 0.1624 0.1272 0.056 Uiso 1 1 calc R U . . .
H14B_2 H 0.5967 0.2251 0.1881 0.056 Uiso 1 1 calc R U . . .
H14C_2 H 0.5181 0.2379 0.1004 0.056 Uiso 1 1 calc R U . . .
C15_2 C 0.0828(5) 0.2736(3) -0.0805(5) 0.0590(17) Uani 1 1 d . . . . .
H15A_2 H 0.0695 0.3225 -0.0862 0.088 Uiso 1 1 calc R U . . .
H15B_2 H 0.0479 0.2568 -0.0261 0.088 Uiso 1 1 calc R U . . .
H15C_2 H 0.0494 0.2503 -0.1330 0.088 Uiso 1 1 calc R U . . .
C16_2 C 0.3009(5) 0.3108(3) 0.0188(4) 0.0452(13) Uani 1 1 d . . . . .
H16A_2 H 0.2718 0.3571 0.0128 0.068 Uiso 1 1 calc R U . . .
H16B_2 H 0.3834 0.3113 0.0151 0.068 Uiso 1 1 calc R U . . .
H16C_2 H 0.2801 0.2921 0.0770 0.068 Uiso 1 1 calc R U . . .
C17_2 C 0.2993(5) 0.2878(3) -0.1794(4) 0.0485(14) Uani 1 1 d . . . . .
H17A_2 H 0.2883 0.3369 -0.1842 0.073 Uiso 1 1 calc R U . . .
H17B_2 H 0.2611 0.2653 -0.2305 0.073 Uiso 1 1 calc R U . . .
H17C_2 H 0.3803 0.2774 -0.1793 0.073 Uiso 1 1 calc R U . . .
C18_2 C 0.2489(4) 0.1237(2) -0.2083(3) 0.0244(9) Uani 1 1 d . . . . .
C19_2 C 0.1364(3) 0.1339(2) -0.2364(3) 0.0264(9) Uani 1 1 d . . . . .
H19_2 H 0.0794 0.1338 -0.1929 0.032 Uiso 1 1 calc R U . . .
C20_2 C 0.1056(4) 0.1442(2) -0.3255(3) 0.0337(11) Uani 1 1 d . . . . .
H20_2 H 0.0284 0.1505 -0.3431 0.040 Uiso 1 1 calc R U . . .
C21_2 C 0.1879(4) 0.1452(3) -0.3883(3) 0.0356(11) Uani 1 1 d . . . . .
H21_2 H 0.1676 0.1524 -0.4497 0.043 Uiso 1 1 calc R U . . .
C22_2 C 0.3000(4) 0.1358(3) -0.3628(3) 0.0327(10) Uani 1 1 d . . . . .
H22_2 H 0.3566 0.1365 -0.4066 0.039 Uiso 1 1 calc R U . . .
C23_2 C 0.3299(4) 0.1253(2) -0.2733(3) 0.0290(10) Uani 1 1 d . . . . .
H23_2 H 0.4072 0.1192 -0.2563 0.035 Uiso 1 1 calc R U . . .
C24_2 C 0.3399(4) -0.0090(2) -0.1400(3) 0.0259(9) Uani 1 1 d . . . . .
C25_2 C 0.2512(4) -0.0354(2) -0.1935(3) 0.0319(11) Uani 1 1 d . . . . .
H25_2 H 0.1784 -0.0152 -0.1914 0.038 Uiso 1 1 calc R U . . .
C26_2 C 0.2673(5) -0.0898(2) -0.2491(3) 0.0383(12) Uani 1 1 d . . . . .
H26_2 H 0.2059 -0.1065 -0.2852 0.046 Uiso 1 1 calc R U . . .
C27_2 C 0.3712(5) -0.1202(3) -0.2530(3) 0.0427(13) Uani 1 1 d . . . . .
H27_2 H 0.3815 -0.1583 -0.2908 0.051 Uiso 1 1 calc R U . . .
C28_2 C 0.4611(4) -0.0949(3) -0.2014(4) 0.0402(12) Uani 1 1 d . . . . .
H28_2 H 0.5334 -0.1156 -0.2039 0.048 Uiso 1 1 calc R U . . .
C29_2 C 0.4453(4) -0.0392(2) -0.1461(3) 0.0318(11) Uani 1 1 d . . . . .
H29_2 H 0.5077 -0.0215 -0.1119 0.038 Uiso 1 1 calc R U . . .
C30_2 C 0.3378(6) -0.1092(3) 0.0477(4) 0.0553(16) Uani 1 1 d . . . . .
H30A_2 H 0.3633 -0.1449 0.0894 0.083 Uiso 1 1 calc R U . . .
H30B_2 H 0.3636 -0.1195 -0.0125 0.083 Uiso 1 1 calc R U . . .
H30C_2 H 0.2551 -0.1068 0.0466 0.083 Uiso 1 1 calc R U . . .
C31_2 C 0.5548(5) -0.0317(3) 0.0933(4) 0.0595(17) Uani 1 1 d . . . . .
H31A_2 H 0.5772 -0.0696 0.1326 0.089 Uiso 1 1 calc R U . . .
H31B_2 H 0.5858 0.0106 0.1181 0.089 Uiso 1 1 calc R U . . .
H31C_2 H 0.5842 -0.0392 0.0334 0.089 Uiso 1 1 calc R U . . .
C32_2 C 0.3529(6) -0.0135(3) 0.2042(3) 0.0560(16) Uani 1 1 d . . . . .
H32A_2 H 0.3804 -0.0514 0.2413 0.084 Uiso 1 1 calc R U . . .
H32B_2 H 0.2703 -0.0115 0.2054 0.084 Uiso 1 1 calc R U . . .
H32C_2 H 0.3849 0.0290 0.2277 0.084 Uiso 1 1 calc R U . . .
Li1_2 Li 0.1658(6) 0.0714(4) -0.0153(6) 0.0332(18) Uani 1 1 d . . . . .
O1S_2 O 0.0237(3) 0.03491(18) 0.0055(2) 0.0427(9) Uani 1 1 d . . . . .
C2S_2 C 0.0041(5) -0.0202(3) 0.0640(4) 0.0547(15) Uani 1 1 d . . . . .
H2S1_2 H 0.0642 -0.0230 0.1115 0.066 Uiso 1 1 calc R U . . .
H2S2_2 H 0.0013 -0.0636 0.0306 0.066 Uiso 1 1 calc R U . . .
C3S_2 C -0.1100(5) -0.0044(3) 0.1038(4) 0.0621(18) Uani 1 1 d . . . . .
H3S1_2 H -0.1499 -0.0464 0.1206 0.075 Uiso 1 1 calc R U . . .
H3S2_2 H -0.1014 0.0253 0.1571 0.075 Uiso 1 1 calc R U . . .
C4S_2 C -0.1714(5) 0.0316(4) 0.0277(4) 0.0619(18) Uani 1 1 d . . . . .
H4S1_2 H -0.2001 -0.0010 -0.0181 0.074 Uiso 1 1 calc R U . . .
H4S2_2 H -0.2354 0.0586 0.0496 0.074 Uiso 1 1 calc R U . . .
C5S_2 C -0.0820(4) 0.0763(3) -0.0089(4) 0.0441(13) Uani 1 1 d . . . . .
H5S1_2 H -0.0769 0.1198 0.0242 0.053 Uiso 1 1 calc R U . . .
H5S2_2 H -0.0968 0.0857 -0.0734 0.053 Uiso 1 1 calc R U . . .


_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
Si1_1 C5_1 1.790(4) . ?
Si1_1 C2_1 1.791(5) . ?
Si1_1 C6_1 1.867(4) . ?
Si1_1 Li2_1 2.546(8) . ?
Si2_1 C2_1 1.853(4) . ?
Si2_1 C17_1 1.864(5) . ?
Si2_1 C16_1 1.873(5) . ?
Si2_1 C15_1 1.878(5) . ?
Si3_1 C5_1 1.851(4) . ?
Si3_1 C30_1 1.872(5) . ?
Si3_1 C32_1 1.886(5) . ?
Si3_1 C31_1 1.886(5) . ?
C2_1 C3_1 1.451(6) . ?
C2_1 Li2_1 2.329(9) . ?
C3_1 C4_1 1.415(6) . ?
C3_1 C18_1 1.492(6) . ?
C3_1 Li2_1 2.187(9) . ?
C4_1 C5_1 1.455(6) . ?
C4_1 C24_1 1.489(6) . ?
C4_1 Li2_1 2.209(9) . ?
C5_1 Li2_1 2.326(9) . ?
C6_1 C7_1 1.413(6) . ?
C6_1 C11_1 1.415(6) . ?
C7_1 C8_1 1.385(6) . ?
C7_1 C12_1 1.507(6) . ?
C8_1 C9_1 1.379(6) . ?
C8_1 H8_1 0.9500 . ?
C9_1 C10_1 1.397(6) . ?
C9_1 C13_1 1.499(6) . ?
C10_1 C11_1 1.381(6) . ?
C10_1 H10_1 0.9500 . ?
C11_1 C14_1 1.513(6) . ?
C12_1 H12A_1 0.9800 . ?
C12_1 H12B_1 0.9800 . ?
C12_1 H12C_1 0.9800 . ?
C13_1 H13A_1 0.9800 . ?
C13_1 H13B_1 0.9800 . ?
C13_1 H13C_1 0.9800 . ?
C14_1 H14A_1 0.9800 . ?
C14_1 H14B_1 0.9800 . ?
C14_1 H14C_1 0.9800 . ?
C15_1 H15A_1 0.9800 . ?
C15_1 H15B_1 0.9800 . ?
C15_1 H15C_1 0.9800 . ?
C16_1 H16A_1 0.9800 . ?
C16_1 H16B_1 0.9800 . ?
C16_1 H16C_1 0.9800 . ?
C17_1 H17A_1 0.9800 . ?
C17_1 H17B_1 0.9800 . ?
C17_1 H17C_1 0.9800 . ?
C18_1 C19_1 1.381(6) . ?
C18_1 C23_1 1.398(6) . ?
C19_1 C20_1 1.391(7) . ?
C19_1 H19_1 0.9500 . ?
C20_1 C21_1 1.383(7) . ?
C20_1 H20_1 0.9500 . ?
C21_1 C22_1 1.371(7) . ?
C21_1 H21_1 0.9500 . ?
C22_1 C23_1 1.378(6) . ?
C22_1 H22_1 0.9500 . ?
C23_1 H23_1 0.9500 . ?
C24_1 C25_1 1.394(6) . ?
C24_1 C29_1 1.403(6) . ?
C25_1 C26_1 1.380(6) . ?
C25_1 H25_1 0.9500 . ?
C26_1 C27_1 1.383(7) . ?
C26_1 H26_1 0.9500 . ?
C27_1 C28_1 1.374(7) . ?
C27_1 H27_1 0.9500 . ?
C28_1 C29_1 1.385(6) . ?
C28_1 H28_1 0.9500 . ?
C29_1 H29_1 0.9500 . ?
C30_1 H30A_1 0.9800 . ?
C30_1 H30B_1 0.9800 . ?
C30_1 H30C_1 0.9800 . ?
C31_1 H31A_1 0.9800 . ?
C31_1 H31B_1 0.9800 . ?
C31_1 H31C_1 0.9800 . ?
C32_1 H32A_1 0.9800 . ?
C32_1 H32B_1 0.9800 . ?
C32_1 H32C_1 0.9800 . ?
Li2_1 O1S_1 1.875(8) . ?
O1S_1 C5S_1 1.438(6) . ?
O1S_1 C2S_1 1.445(6) . ?
C2S_1 C3S_1 1.481(8) . ?
C2S_1 H2S1_1 0.9900 . ?
C2S_1 H2S2_1 0.9900 . ?
C3S_1 C4S_1 1.473(10) . ?
C3S_1 H3S1_1 0.9900 . ?
C3S_1 H3S2_1 0.9900 . ?
C4S_1 C5S_1 1.469(8) . ?
C4S_1 H4S1_1 0.9900 . ?
C4S_1 H4S2_1 0.9900 . ?
C5S_1 H5S1_1 0.9900 . ?
C5S_1 H5S2_1 0.9900 . ?
Si1_2 C2_2 1.784(5) . ?
Si1_2 C5_2 1.796(5) . ?
Si1_2 C6_2 1.879(5) . ?
Si1_2 Li1_2 2.517(8) . ?
Si2_2 C2_2 1.849(5) . ?
Si2_2 C17_2 1.858(5) . ?
Si2_2 C16_2 1.872(5) . ?
Si2_2 C15_2 1.876(5) . ?
Si3_2 C5_2 1.850(5) . ?
Si3_2 C30_2 1.864(6) . ?
Si3_2 C31_2 1.865(6) . ?
Si3_2 C32_2 1.881(5) . ?
C2_2 C3_2 1.455(6) . ?
C2_2 Li1_2 2.322(9) . ?
C3_2 C4_2 1.417(6) . ?
C3_2 C18_2 1.488(6) . ?
C3_2 Li1_2 2.164(9) . ?
C4_2 C5_2 1.451(6) . ?
C4_2 C24_2 1.491(6) . ?
C4_2 Li1_2 2.154(9) . ?
C5_2 Li1_2 2.262(9) . ?
C6_2 C7_2 1.406(6) . ?
C6_2 C11_2 1.408(6) . ?
C7_2 C8_2 1.404(6) . ?
C7_2 C12_2 1.502(6) . ?
C8_2 C9_2 1.382(6) . ?
C8_2 H8_2 0.9500 . ?
C9_2 C10_2 1.394(6) . ?
C9_2 C13_2 1.514(6) . ?
C10_2 C11_2 1.383(6) . ?
C10_2 H10_2 0.9500 . ?
C11_2 C14_2 1.507(6) . ?
C12_2 H12A_2 0.9800 . ?
C12_2 H12B_2 0.9800 . ?
C12_2 H12C_2 0.9800 . ?
C13_2 H13A_2 0.9800 . ?
C13_2 H13B_2 0.9800 . ?
C13_2 H13C_2 0.9800 . ?
C14_2 H14A_2 0.9800 . ?
C14_2 H14B_2 0.9800 . ?
C14_2 H14C_2 0.9800 . ?
C15_2 H15A_2 0.9800 . ?
C15_2 H15B_2 0.9800 . ?
C15_2 H15C_2 0.9800 . ?
C16_2 H16A_2 0.9800 . ?
C16_2 H16B_2 0.9800 . ?
C16_2 H16C_2 0.9800 . ?
C17_2 H17A_2 0.9800 . ?
C17_2 H17B_2 0.9800 . ?
C17_2 H17C_2 0.9800 . ?
C18_2 C23_2 1.384(6) . ?
C18_2 C19_2 1.398(6) . ?
C19_2 C20_2 1.382(6) . ?
C19_2 H19_2 0.9500 . ?
C20_2 C21_2 1.372(6) . ?
C20_2 H20_2 0.9500 . ?
C21_2 C22_2 1.381(6) . ?
C21_2 H21_2 0.9500 . ?
C22_2 C23_2 1.385(6) . ?
C22_2 H22_2 0.9500 . ?
C23_2 H23_2 0.9500 . ?
C24_2 C29_2 1.388(6) . ?
C24_2 C25_2 1.400(6) . ?
C25_2 C26_2 1.372(6) . ?
C25_2 H25_2 0.9500 . ?
C26_2 C27_2 1.370(7) . ?
C26_2 H26_2 0.9500 . ?
C27_2 C28_2 1.386(7) . ?
C27_2 H27_2 0.9500 . ?
C28_2 C29_2 1.390(7) . ?
C28_2 H28_2 0.9500 . ?
C29_2 H29_2 0.9500 . ?
C30_2 H30A_2 0.9800 . ?
C30_2 H30B_2 0.9800 . ?
C30_2 H30C_2 0.9800 . ?
C31_2 H31A_2 0.9800 . ?
C31_2 H31B_2 0.9800 . ?
C31_2 H31C_2 0.9800 . ?
C32_2 H32A_2 0.9800 . ?
C32_2 H32B_2 0.9800 . ?
C32_2 H32C_2 0.9800 . ?
Li1_2 O1S_2 1.865(8) . ?
O1S_2 C2S_2 1.417(7) . ?
O1S_2 C5S_2 1.503(6) . ?
C2S_2 C3S_2 1.526(8) . ?
C2S_2 H2S1_2 0.9900 . ?
C2S_2 H2S2_2 0.9900 . ?
C3S_2 C4S_2 1.506(9) . ?
C3S_2 H3S1_2 0.9900 . ?
C3S_2 H3S2_2 0.9900 . ?
C4S_2 C5S_2 1.493(8) . ?
C4S_2 H4S1_2 0.9900 . ?
C4S_2 H4S2_2 0.9900 . ?
C5S_2 H5S1_2 0.9900 . ?
C5S_2 H5S2_2 0.9900 . ?

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
C5_1 Si1_1 C2_1 97.9(2) . . ?
C5_1 Si1_1 C6_1 128.7(2) . . ?
C2_1 Si1_1 C6_1 131.8(2) . . ?
C5_1 Si1_1 Li2_1 62.1(2) . . ?
C2_1 Si1_1 Li2_1 62.1(2) . . ?
C6_1 Si1_1 Li2_1 125.4(2) . . ?
C2_1 Si2_1 C17_1 111.4(2) . . ?
C2_1 Si2_1 C16_1 109.0(2) . . ?
C17_1 Si2_1 C16_1 106.6(2) . . ?
C2_1 Si2_1 C15_1 113.4(2) . . ?
C17_1 Si2_1 C15_1 109.1(2) . . ?
C16_1 Si2_1 C15_1 106.9(2) . . ?
C5_1 Si3_1 C30_1 112.9(2) . . ?
C5_1 Si3_1 C32_1 107.1(2) . . ?
C30_1 Si3_1 C32_1 107.1(2) . . ?
C5_1 Si3_1 C31_1 115.0(2) . . ?
C30_1 Si3_1 C31_1 107.2(2) . . ?
C32_1 Si3_1 C31_1 107.2(2) . . ?
C3_1 C2_1 Si1_1 104.4(3) . . ?
C3_1 C2_1 Si2_1 126.9(3) . . ?
Si1_1 C2_1 Si2_1 126.4(2) . . ?
C3_1 C2_1 Li2_1 66.0(3) . . ?
Si1_1 C2_1 Li2_1 75.0(3) . . ?
Si2_1 C2_1 Li2_1 135.9(3) . . ?
C4_1 C3_1 C2_1 116.4(4) . . ?
C4_1 C3_1 C18_1 122.3(4) . . ?
C2_1 C3_1 C18_1 121.2(4) . . ?
C4_1 C3_1 Li2_1 72.1(3) . . ?
C2_1 C3_1 Li2_1 76.7(3) . . ?
C18_1 C3_1 Li2_1 123.3(4) . . ?
C3_1 C4_1 C5_1 116.1(4) . . ?
C3_1 C4_1 C24_1 123.6(4) . . ?
C5_1 C4_1 C24_1 120.3(4) . . ?
C3_1 C4_1 Li2_1 70.4(3) . . ?
C5_1 C4_1 Li2_1 75.7(3) . . ?
C24_1 C4_1 Li2_1 124.1(4) . . ?
C4_1 C5_1 Si1_1 104.3(3) . . ?
C4_1 C5_1 Si3_1 127.3(3) . . ?
Si1_1 C5_1 Si3_1 128.3(2) . . ?
C4_1 C5_1 Li2_1 67.0(3) . . ?
Si1_1 C5_1 Li2_1 75.1(3) . . ?
Si3_1 C5_1 Li2_1 119.6(3) . . ?
C7_1 C6_1 C11_1 118.3(4) . . ?
C7_1 C6_1 Si1_1 122.9(3) . . ?
C11_1 C6_1 Si1_1 118.8(3) . . ?
C8_1 C7_1 C6_1 119.4(4) . . ?
C8_1 C7_1 C12_1 118.0(4) . . ?
C6_1 C7_1 C12_1 122.6(4) . . ?
C9_1 C8_1 C7_1 122.9(4) . . ?
C9_1 C8_1 H8_1 118.5 . . ?
C7_1 C8_1 H8_1 118.5 . . ?
C8_1 C9_1 C10_1 117.3(4) . . ?
C8_1 C9_1 C13_1 121.0(4) . . ?
C10_1 C9_1 C13_1 121.6(4) . . ?
C11_1 C10_1 C9_1 122.0(4) . . ?
C11_1 C10_1 H10_1 119.0 . . ?
C9_1 C10_1 H10_1 119.0 . . ?
C10_1 C11_1 C6_1 120.0(4) . . ?
C10_1 C11_1 C14_1 118.4(4) . . ?
C6_1 C11_1 C14_1 121.6(4) . . ?
C7_1 C12_1 H12A_1 109.5 . . ?
C7_1 C12_1 H12B_1 109.5 . . ?
H12A_1 C12_1 H12B_1 109.5 . . ?
C7_1 C12_1 H12C_1 109.5 . . ?
H12A_1 C12_1 H12C_1 109.5 . . ?
H12B_1 C12_1 H12C_1 109.5 . . ?
C9_1 C13_1 H13A_1 109.5 . . ?
C9_1 C13_1 H13B_1 109.5 . . ?
H13A_1 C13_1 H13B_1 109.5 . . ?
C9_1 C13_1 H13C_1 109.5 . . ?
H13A_1 C13_1 H13C_1 109.5 . . ?
H13B_1 C13_1 H13C_1 109.5 . . ?
C11_1 C14_1 H14A_1 109.5 . . ?
C11_1 C14_1 H14B_1 109.5 . . ?
H14A_1 C14_1 H14B_1 109.5 . . ?
C11_1 C14_1 H14C_1 109.5 . . ?
H14A_1 C14_1 H14C_1 109.5 . . ?
H14B_1 C14_1 H14C_1 109.5 . . ?
Si2_1 C15_1 H15A_1 109.5 . . ?
Si2_1 C15_1 H15B_1 109.5 . . ?
H15A_1 C15_1 H15B_1 109.5 . . ?
Si2_1 C15_1 H15C_1 109.5 . . ?
H15A_1 C15_1 H15C_1 109.5 . . ?
H15B_1 C15_1 H15C_1 109.5 . . ?
Si2_1 C16_1 H16A_1 109.5 . . ?
Si2_1 C16_1 H16B_1 109.5 . . ?
H16A_1 C16_1 H16B_1 109.5 . . ?
Si2_1 C16_1 H16C_1 109.5 . . ?
H16A_1 C16_1 H16C_1 109.5 . . ?
H16B_1 C16_1 H16C_1 109.5 . . ?
Si2_1 C17_1 H17A_1 109.5 . . ?
Si2_1 C17_1 H17B_1 109.5 . . ?
H17A_1 C17_1 H17B_1 109.5 . . ?
Si2_1 C17_1 H17C_1 109.5 . . ?
H17A_1 C17_1 H17C_1 109.5 . . ?
H17B_1 C17_1 H17C_1 109.5 . . ?
C19_1 C18_1 C23_1 117.9(4) . . ?
C19_1 C18_1 C3_1 121.6(4) . . ?
C23_1 C18_1 C3_1 120.6(4) . . ?
C18_1 C19_1 C20_1 121.1(5) . . ?
C18_1 C19_1 H19_1 119.4 . . ?
C20_1 C19_1 H19_1 119.4 . . ?
C21_1 C20_1 C19_1 119.9(4) . . ?
C21_1 C20_1 H20_1 120.0 . . ?
C19_1 C20_1 H20_1 120.0 . . ?
C22_1 C21_1 C20_1 119.5(5) . . ?
C22_1 C21_1 H21_1 120.2 . . ?
C20_1 C21_1 H21_1 120.2 . . ?
C21_1 C22_1 C23_1 120.6(5) . . ?
C21_1 C22_1 H22_1 119.7 . . ?
C23_1 C22_1 H22_1 119.7 . . ?
C22_1 C23_1 C18_1 120.9(4) . . ?
C22_1 C23_1 H23_1 119.5 . . ?
C18_1 C23_1 H23_1 119.5 . . ?
C25_1 C24_1 C29_1 117.2(4) . . ?
C25_1 C24_1 C4_1 124.4(4) . . ?
C29_1 C24_1 C4_1 118.3(4) . . ?
C26_1 C25_1 C24_1 121.7(4) . . ?
C26_1 C25_1 H25_1 119.2 . . ?
C24_1 C25_1 H25_1 119.2 . . ?
C25_1 C26_1 C27_1 120.0(4) . . ?
C25_1 C26_1 H26_1 120.0 . . ?
C27_1 C26_1 H26_1 120.0 . . ?
C28_1 C27_1 C26_1 119.7(4) . . ?
C28_1 C27_1 H27_1 120.1 . . ?
C26_1 C27_1 H27_1 120.1 . . ?
C27_1 C28_1 C29_1 120.5(5) . . ?
C27_1 C28_1 H28_1 119.8 . . ?
C29_1 C28_1 H28_1 119.8 . . ?
C28_1 C29_1 C24_1 120.9(4) . . ?
C28_1 C29_1 H29_1 119.5 . . ?
C24_1 C29_1 H29_1 119.5 . . ?
Si3_1 C30_1 H30A_1 109.5 . . ?
Si3_1 C30_1 H30B_1 109.5 . . ?
H30A_1 C30_1 H30B_1 109.5 . . ?
Si3_1 C30_1 H30C_1 109.5 . . ?
H30A_1 C30_1 H30C_1 109.5 . . ?
H30B_1 C30_1 H30C_1 109.5 . . ?
Si3_1 C31_1 H31A_1 109.5 . . ?
Si3_1 C31_1 H31B_1 109.5 . . ?
H31A_1 C31_1 H31B_1 109.5 . . ?
Si3_1 C31_1 H31C_1 109.5 . . ?
H31A_1 C31_1 H31C_1 109.5 . . ?
H31B_1 C31_1 H31C_1 109.5 . . ?
Si3_1 C32_1 H32A_1 109.5 . . ?
Si3_1 C32_1 H32B_1 109.5 . . ?
H32A_1 C32_1 H32B_1 109.5 . . ?
Si3_1 C32_1 H32C_1 109.5 . . ?
H32A_1 C32_1 H32C_1 109.5 . . ?
H32B_1 C32_1 H32C_1 109.5 . . ?
O1S_1 Li2_1 C3_1 141.1(5) . . ?
O1S_1 Li2_1 C4_1 146.0(5) . . ?
C3_1 Li2_1 C4_1 37.5(2) . . ?
O1S_1 Li2_1 C5_1 148.2(5) . . ?
C3_1 Li2_1 C5_1 65.2(3) . . ?
C4_1 Li2_1 C5_1 37.3(2) . . ?
O1S_1 Li2_1 C2_1 139.9(5) . . ?
C3_1 Li2_1 C2_1 37.32(19) . . ?
C4_1 Li2_1 C2_1 64.9(3) . . ?
C5_1 Li2_1 C2_1 70.9(3) . . ?
O1S_1 Li2_1 Si1_1 147.7(4) . . ?
C3_1 Li2_1 Si1_1 65.3(2) . . ?
C4_1 Li2_1 Si1_1 65.0(2) . . ?
C5_1 Li2_1 Si1_1 42.81(17) . . ?
C2_1 Li2_1 Si1_1 42.84(17) . . ?
C5S_1 O1S_1 C2S_1 108.5(4) . . ?
C5S_1 O1S_1 Li2_1 125.3(4) . . ?
C2S_1 O1S_1 Li2_1 124.5(4) . . ?
O1S_1 C2S_1 C3S_1 106.6(5) . . ?
O1S_1 C2S_1 H2S1_1 110.4 . . ?
C3S_1 C2S_1 H2S1_1 110.4 . . ?
O1S_1 C2S_1 H2S2_1 110.4 . . ?
C3S_1 C2S_1 H2S2_1 110.4 . . ?
H2S1_1 C2S_1 H2S2_1 108.6 . . ?
C4S_1 C3S_1 C2S_1 107.1(5) . . ?
C4S_1 C3S_1 H3S1_1 110.3 . . ?
C2S_1 C3S_1 H3S1_1 110.3 . . ?
C4S_1 C3S_1 H3S2_1 110.3 . . ?
C2S_1 C3S_1 H3S2_1 110.3 . . ?
H3S1_1 C3S_1 H3S2_1 108.6 . . ?
C5S_1 C4S_1 C3S_1 106.8(6) . . ?
C5S_1 C4S_1 H4S1_1 110.4 . . ?
C3S_1 C4S_1 H4S1_1 110.4 . . ?
C5S_1 C4S_1 H4S2_1 110.4 . . ?
C3S_1 C4S_1 H4S2_1 110.4 . . ?
H4S1_1 C4S_1 H4S2_1 108.6 . . ?
O1S_1 C5S_1 C4S_1 106.6(5) . . ?
O1S_1 C5S_1 H5S1_1 110.4 . . ?
C4S_1 C5S_1 H5S1_1 110.4 . . ?
O1S_1 C5S_1 H5S2_1 110.4 . . ?
C4S_1 C5S_1 H5S2_1 110.4 . . ?
H5S1_1 C5S_1 H5S2_1 108.6 . . ?
C2_2 Si1_2 C5_2 98.1(2) . . ?
C2_2 Si1_2 C6_2 128.9(2) . . ?
C5_2 Si1_2 C6_2 129.8(2) . . ?
C2_2 Si1_2 Li1_2 62.7(2) . . ?
C5_2 Si1_2 Li1_2 60.6(2) . . ?
C6_2 Si1_2 Li1_2 121.9(2) . . ?
C2_2 Si2_2 C17_2 114.3(2) . . ?
C2_2 Si2_2 C16_2 108.2(2) . . ?
C17_2 Si2_2 C16_2 106.6(2) . . ?
C2_2 Si2_2 C15_2 112.3(2) . . ?
C17_2 Si2_2 C15_2 107.4(3) . . ?
C16_2 Si2_2 C15_2 107.7(3) . . ?
C5_2 Si3_2 C30_2 114.2(2) . . ?
C5_2 Si3_2 C31_2 111.7(3) . . ?
C30_2 Si3_2 C31_2 109.6(3) . . ?
C5_2 Si3_2 C32_2 109.3(2) . . ?
C30_2 Si3_2 C32_2 106.6(3) . . ?
C31_2 Si3_2 C32_2 104.9(3) . . ?
C3_2 C2_2 Si1_2 104.2(3) . . ?
C3_2 C2_2 Si2_2 125.8(3) . . ?
Si1_2 C2_2 Si2_2 128.2(3) . . ?
C3_2 C2_2 Li1_2 65.3(3) . . ?
Si1_2 C2_2 Li1_2 74.3(3) . . ?
Si2_2 C2_2 Li1_2 135.3(3) . . ?
C4_2 C3_2 C2_2 116.6(4) . . ?
C4_2 C3_2 C18_2 122.5(4) . . ?
C2_2 C3_2 C18_2 120.9(4) . . ?
C4_2 C3_2 Li1_2 70.5(3) . . ?
C2_2 C3_2 Li1_2 77.1(3) . . ?
C18_2 C3_2 Li1_2 124.0(4) . . ?
C3_2 C4_2 C5_2 116.0(4) . . ?
C3_2 C4_2 C24_2 121.5(4) . . ?
C5_2 C4_2 C24_2 122.5(4) . . ?
C3_2 C4_2 Li1_2 71.2(3) . . ?
C5_2 C4_2 Li1_2 74.9(3) . . ?
C24_2 C4_2 Li1_2 124.0(4) . . ?
C4_2 C5_2 Si1_2 104.2(3) . . ?
C4_2 C5_2 Si3_2 129.1(3) . . ?
Si1_2 C5_2 Si3_2 126.7(3) . . ?
C4_2 C5_2 Li1_2 66.8(3) . . ?
Si1_2 C5_2 Li1_2 75.7(3) . . ?
Si3_2 C5_2 Li1_2 123.9(3) . . ?
C7_2 C6_2 C11_2 118.9(4) . . ?
C7_2 C6_2 Si1_2 122.6(3) . . ?
C11_2 C6_2 Si1_2 118.5(3) . . ?
C8_2 C7_2 C6_2 119.5(4) . . ?
C8_2 C7_2 C12_2 118.3(4) . . ?
C6_2 C7_2 C12_2 122.2(4) . . ?
C9_2 C8_2 C7_2 121.4(4) . . ?
C9_2 C8_2 H8_2 119.3 . . ?
C7_2 C8_2 H8_2 119.3 . . ?
C8_2 C9_2 C10_2 118.5(4) . . ?
C8_2 C9_2 C13_2 120.9(4) . . ?
C10_2 C9_2 C13_2 120.6(4) . . ?
C11_2 C10_2 C9_2 121.5(4) . . ?
C11_2 C10_2 H10_2 119.2 . . ?
C9_2 C10_2 H10_2 119.2 . . ?
C10_2 C11_2 C6_2 120.1(4) . . ?
C10_2 C11_2 C14_2 118.7(4) . . ?
C6_2 C11_2 C14_2 121.2(4) . . ?
C7_2 C12_2 H12A_2 109.5 . . ?
C7_2 C12_2 H12B_2 109.5 . . ?
H12A_2 C12_2 H12B_2 109.5 . . ?
C7_2 C12_2 H12C_2 109.5 . . ?
H12A_2 C12_2 H12C_2 109.5 . . ?
H12B_2 C12_2 H12C_2 109.5 . . ?
C9_2 C13_2 H13A_2 109.5 . . ?
C9_2 C13_2 H13B_2 109.5 . . ?
H13A_2 C13_2 H13B_2 109.5 . . ?
C9_2 C13_2 H13C_2 109.5 . . ?
H13A_2 C13_2 H13C_2 109.5 . . ?
H13B_2 C13_2 H13C_2 109.5 . . ?
C11_2 C14_2 H14A_2 109.5 . . ?
C11_2 C14_2 H14B_2 109.5 . . ?
H14A_2 C14_2 H14B_2 109.5 . . ?
C11_2 C14_2 H14C_2 109.5 . . ?
H14A_2 C14_2 H14C_2 109.5 . . ?
H14B_2 C14_2 H14C_2 109.5 . . ?
Si2_2 C15_2 H15A_2 109.5 . . ?
Si2_2 C15_2 H15B_2 109.5 . . ?
H15A_2 C15_2 H15B_2 109.5 . . ?
Si2_2 C15_2 H15C_2 109.5 . . ?
H15A_2 C15_2 H15C_2 109.5 . . ?
H15B_2 C15_2 H15C_2 109.5 . . ?
Si2_2 C16_2 H16A_2 109.5 . . ?
Si2_2 C16_2 H16B_2 109.5 . . ?
H16A_2 C16_2 H16B_2 109.5 . . ?
Si2_2 C16_2 H16C_2 109.5 . . ?
H16A_2 C16_2 H16C_2 109.5 . . ?
H16B_2 C16_2 H16C_2 109.5 . . ?
Si2_2 C17_2 H17A_2 109.5 . . ?
Si2_2 C17_2 H17B_2 109.5 . . ?
H17A_2 C17_2 H17B_2 109.5 . . ?
Si2_2 C17_2 H17C_2 109.5 . . ?
H17A_2 C17_2 H17C_2 109.5 . . ?
H17B_2 C17_2 H17C_2 109.5 . . ?
C23_2 C18_2 C19_2 117.4(4) . . ?
C23_2 C18_2 C3_2 121.7(4) . . ?
C19_2 C18_2 C3_2 120.9(4) . . ?
C20_2 C19_2 C18_2 121.9(4) . . ?
C20_2 C19_2 H19_2 119.0 . . ?
C18_2 C19_2 H19_2 119.0 . . ?
C21_2 C20_2 C19_2 119.2(4) . . ?
C21_2 C20_2 H20_2 120.4 . . ?
C19_2 C20_2 H20_2 120.4 . . ?
C20_2 C21_2 C22_2 120.4(4) . . ?
C20_2 C21_2 H21_2 119.8 . . ?
C22_2 C21_2 H21_2 119.8 . . ?
C21_2 C22_2 C23_2 120.0(4) . . ?
C21_2 C22_2 H22_2 120.0 . . ?
C23_2 C22_2 H22_2 120.0 . . ?
C18_2 C23_2 C22_2 121.1(4) . . ?
C18_2 C23_2 H23_2 119.4 . . ?
C22_2 C23_2 H23_2 119.4 . . ?
C29_2 C24_2 C25_2 117.5(4) . . ?
C29_2 C24_2 C4_2 121.0(4) . . ?
C25_2 C24_2 C4_2 121.4(4) . . ?
C26_2 C25_2 C24_2 121.2(5) . . ?
C26_2 C25_2 H25_2 119.4 . . ?
C24_2 C25_2 H25_2 119.4 . . ?
C27_2 C26_2 C25_2 120.6(5) . . ?
C27_2 C26_2 H26_2 119.7 . . ?
C25_2 C26_2 H26_2 119.7 . . ?
C26_2 C27_2 C28_2 119.6(5) . . ?
C26_2 C27_2 H27_2 120.2 . . ?
C28_2 C27_2 H27_2 120.2 . . ?
C27_2 C28_2 C29_2 119.9(5) . . ?
C27_2 C28_2 H28_2 120.1 . . ?
C29_2 C28_2 H28_2 120.1 . . ?
C24_2 C29_2 C28_2 121.1(5) . . ?
C24_2 C29_2 H29_2 119.4 . . ?
C28_2 C29_2 H29_2 119.4 . . ?
Si3_2 C30_2 H30A_2 109.5 . . ?
Si3_2 C30_2 H30B_2 109.5 . . ?
H30A_2 C30_2 H30B_2 109.5 . . ?
Si3_2 C30_2 H30C_2 109.5 . . ?
H30A_2 C30_2 H30C_2 109.5 . . ?
H30B_2 C30_2 H30C_2 109.5 . . ?
Si3_2 C31_2 H31A_2 109.5 . . ?
Si3_2 C31_2 H31B_2 109.5 . . ?
H31A_2 C31_2 H31B_2 109.5 . . ?
Si3_2 C31_2 H31C_2 109.5 . . ?
H31A_2 C31_2 H31C_2 109.5 . . ?
H31B_2 C31_2 H31C_2 109.5 . . ?
Si3_2 C32_2 H32A_2 109.5 . . ?
Si3_2 C32_2 H32B_2 109.5 . . ?
H32A_2 C32_2 H32B_2 109.5 . . ?
Si3_2 C32_2 H32C_2 109.5 . . ?
H32A_2 C32_2 H32C_2 109.5 . . ?
H32B_2 C32_2 H32C_2 109.5 . . ?
O1S_2 Li1_2 C4_2 142.3(5) . . ?
O1S_2 Li1_2 C3_2 147.2(5) . . ?
C4_2 Li1_2 C3_2 38.3(2) . . ?
O1S_2 Li1_2 C5_2 138.6(5) . . ?
C4_2 Li1_2 C5_2 38.3(2) . . ?
C3_2 Li1_2 C5_2 66.6(3) . . ?
O1S_2 Li1_2 C2_2 147.3(5) . . ?
C4_2 Li1_2 C2_2 66.0(3) . . ?
C3_2 Li1_2 C2_2 37.6(2) . . ?
C5_2 Li1_2 C2_2 72.3(3) . . ?
O1S_2 Li1_2 Si1_2 145.2(4) . . ?
C4_2 Li1_2 Si1_2 66.3(2) . . ?
C3_2 Li1_2 Si1_2 65.9(2) . . ?
C5_2 Li1_2 Si1_2 43.75(18) . . ?
C2_2 Li1_2 Si1_2 43.02(18) . . ?
C2S_2 O1S_2 C5S_2 110.7(4) . . ?
C2S_2 O1S_2 Li1_2 124.3(4) . . ?
C5S_2 O1S_2 Li1_2 121.2(4) . . ?
O1S_2 C2S_2 C3S_2 104.3(5) . . ?
O1S_2 C2S_2 H2S1_2 110.9 . . ?
C3S_2 C2S_2 H2S1_2 110.9 . . ?
O1S_2 C2S_2 H2S2_2 110.9 . . ?
C3S_2 C2S_2 H2S2_2 110.9 . . ?
H2S1_2 C2S_2 H2S2_2 108.9 . . ?
C4S_2 C3S_2 C2S_2 102.4(5) . . ?
C4S_2 C3S_2 H3S1_2 111.3 . . ?
C2S_2 C3S_2 H3S1_2 111.3 . . ?
C4S_2 C3S_2 H3S2_2 111.3 . . ?
C2S_2 C3S_2 H3S2_2 111.3 . . ?
H3S1_2 C3S_2 H3S2_2 109.2 . . ?
C5S_2 C4S_2 C3S_2 102.9(5) . . ?
C5S_2 C4S_2 H4S1_2 111.2 . . ?
C3S_2 C4S_2 H4S1_2 111.2 . . ?
C5S_2 C4S_2 H4S2_2 111.2 . . ?
C3S_2 C4S_2 H4S2_2 111.2 . . ?
H4S1_2 C4S_2 H4S2_2 109.1 . . ?
C4S_2 C5S_2 O1S_2 102.9(4) . . ?
C4S_2 C5S_2 H5S1_2 111.2 . . ?
O1S_2 C5S_2 H5S1_2 111.2 . . ?
C4S_2 C5S_2 H5S2_2 111.2 . . ?
O1S_2 C5S_2 H5S2_2 111.2 . . ?
H5S1_2 C5S_2 H5S2_2 109.1 . . ?

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
C5_1 Si1_1 C2_1 C3_1 -7.3(3) . . . . ?
C6_1 Si1_1 C2_1 C3_1 -173.8(3) . . . . ?
Li2_1 Si1_1 C2_1 C3_1 -59.8(3) . . . . ?
C5_1 Si1_1 C2_1 Si2_1 -171.0(3) . . . . ?
C6_1 Si1_1 C2_1 Si2_1 22.6(4) . . . . ?
Li2_1 Si1_1 C2_1 Si2_1 136.5(4) . . . . ?
C5_1 Si1_1 C2_1 Li2_1 52.5(3) . . . . ?
C6_1 Si1_1 C2_1 Li2_1 -113.9(3) . . . . ?
C17_1 Si2_1 C2_1 C3_1 -37.2(4) . . . . ?
C16_1 Si2_1 C2_1 C3_1 -154.6(4) . . . . ?
C15_1 Si2_1 C2_1 C3_1 86.4(4) . . . . ?
C17_1 Si2_1 C2_1 Si1_1 122.9(3) . . . . ?
C16_1 Si2_1 C2_1 Si1_1 5.5(4) . . . . ?
C15_1 Si2_1 C2_1 Si1_1 -113.6(3) . . . . ?
C17_1 Si2_1 C2_1 Li2_1 -129.7(4) . . . . ?
C16_1 Si2_1 C2_1 Li2_1 112.9(4) . . . . ?
C15_1 Si2_1 C2_1 Li2_1 -6.2(5) . . . . ?
Si1_1 C2_1 C3_1 C4_1 4.2(5) . . . . ?
Si2_1 C2_1 C3_1 C4_1 167.7(3) . . . . ?
Li2_1 C2_1 C3_1 C4_1 -61.9(4) . . . . ?
Si1_1 C2_1 C3_1 C18_1 -172.8(3) . . . . ?
Si2_1 C2_1 C3_1 C18_1 -9.3(6) . . . . ?
Li2_1 C2_1 C3_1 C18_1 121.1(5) . . . . ?
Si1_1 C2_1 C3_1 Li2_1 66.1(3) . . . . ?
Si2_1 C2_1 C3_1 Li2_1 -130.4(4) . . . . ?
C2_1 C3_1 C4_1 C5_1 2.2(6) . . . . ?
C18_1 C3_1 C4_1 C5_1 179.2(4) . . . . ?
Li2_1 C3_1 C4_1 C5_1 -62.2(4) . . . . ?
C2_1 C3_1 C4_1 C24_1 -177.1(4) . . . . ?
C18_1 C3_1 C4_1 C24_1 -0.1(6) . . . . ?
Li2_1 C3_1 C4_1 C24_1 118.5(5) . . . . ?
C2_1 C3_1 C4_1 Li2_1 64.4(4) . . . . ?
C18_1 C3_1 C4_1 Li2_1 -118.6(5) . . . . ?
C3_1 C4_1 C5_1 Si1_1 -7.4(4) . . . . ?
C24_1 C4_1 C5_1 Si1_1 172.0(3) . . . . ?
Li2_1 C4_1 C5_1 Si1_1 -66.7(3) . . . . ?
C3_1 C4_1 C5_1 Si3_1 169.9(3) . . . . ?
C24_1 C4_1 C5_1 Si3_1 -10.8(6) . . . . ?
Li2_1 C4_1 C5_1 Si3_1 110.6(4) . . . . ?
C3_1 C4_1 C5_1 Li2_1 59.3(4) . . . . ?
C24_1 C4_1 C5_1 Li2_1 -121.4(4) . . . . ?
C2_1 Si1_1 C5_1 C4_1 8.4(3) . . . . ?
C6_1 Si1_1 C5_1 C4_1 175.5(3) . . . . ?
Li2_1 Si1_1 C5_1 C4_1 61.0(3) . . . . ?
C2_1 Si1_1 C5_1 Si3_1 -168.8(3) . . . . ?
C6_1 Si1_1 C5_1 Si3_1 -1.7(4) . . . . ?
Li2_1 Si1_1 C5_1 Si3_1 -116.2(4) . . . . ?
C2_1 Si1_1 C5_1 Li2_1 -52.5(3) . . . . ?
C6_1 Si1_1 C5_1 Li2_1 114.5(3) . . . . ?
C30_1 Si3_1 C5_1 C4_1 -37.0(5) . . . . ?
C32_1 Si3_1 C5_1 C4_1 -154.6(4) . . . . ?
C31_1 Si3_1 C5_1 C4_1 86.4(4) . . . . ?
C30_1 Si3_1 C5_1 Si1_1 139.6(3) . . . . ?
C32_1 Si3_1 C5_1 Si1_1 21.9(4) . . . . ?
C31_1 Si3_1 C5_1 Si1_1 -97.0(3) . . . . ?
C30_1 Si3_1 C5_1 Li2_1 45.4(4) . . . . ?
C32_1 Si3_1 C5_1 Li2_1 -72.3(4) . . . . ?
C31_1 Si3_1 C5_1 Li2_1 168.8(3) . . . . ?
C5_1 Si1_1 C6_1 C7_1 -110.7(4) . . . . ?
C2_1 Si1_1 C6_1 C7_1 51.9(5) . . . . ?
Li2_1 Si1_1 C6_1 C7_1 -30.4(5) . . . . ?
C5_1 Si1_1 C6_1 C11_1 65.7(4) . . . . ?
C2_1 Si1_1 C6_1 C11_1 -131.6(3) . . . . ?
Li2_1 Si1_1 C6_1 C11_1 146.1(4) . . . . ?
C11_1 C6_1 C7_1 C8_1 -0.9(6) . . . . ?
Si1_1 C6_1 C7_1 C8_1 175.6(3) . . . . ?
C11_1 C6_1 C7_1 C12_1 -178.2(4) . . . . ?
Si1_1 C6_1 C7_1 C12_1 -1.7(6) . . . . ?
C6_1 C7_1 C8_1 C9_1 -2.5(7) . . . . ?
C12_1 C7_1 C8_1 C9_1 174.9(4) . . . . ?
C7_1 C8_1 C9_1 C10_1 4.0(7) . . . . ?
C7_1 C8_1 C9_1 C13_1 -175.3(5) . . . . ?
C8_1 C9_1 C10_1 C11_1 -2.1(7) . . . . ?
C13_1 C9_1 C10_1 C11_1 177.2(5) . . . . ?
C9_1 C10_1 C11_1 C6_1 -1.2(6) . . . . ?
C9_1 C10_1 C11_1 C14_1 179.7(4) . . . . ?
C7_1 C6_1 C11_1 C10_1 2.7(6) . . . . ?
Si1_1 C6_1 C11_1 C10_1 -173.9(3) . . . . ?
C7_1 C6_1 C11_1 C14_1 -178.3(4) . . . . ?
Si1_1 C6_1 C11_1 C14_1 5.1(5) . . . . ?
C4_1 C3_1 C18_1 C19_1 115.6(5) . . . . ?
C2_1 C3_1 C18_1 C19_1 -67.6(6) . . . . ?
Li2_1 C3_1 C18_1 C19_1 26.7(6) . . . . ?
C4_1 C3_1 C18_1 C23_1 -66.0(6) . . . . ?
C2_1 C3_1 C18_1 C23_1 110.8(5) . . . . ?
Li2_1 C3_1 C18_1 C23_1 -154.8(4) . . . . ?
C23_1 C18_1 C19_1 C20_1 0.0(7) . . . . ?
C3_1 C18_1 C19_1 C20_1 178.5(4) . . . . ?
C18_1 C19_1 C20_1 C21_1 -0.5(7) . . . . ?
C19_1 C20_1 C21_1 C22_1 0.3(7) . . . . ?
C20_1 C21_1 C22_1 C23_1 0.3(7) . . . . ?
C21_1 C22_1 C23_1 C18_1 -0.8(7) . . . . ?
C19_1 C18_1 C23_1 C22_1 0.6(6) . . . . ?
C3_1 C18_1 C23_1 C22_1 -177.9(4) . . . . ?
C3_1 C4_1 C24_1 C25_1 -62.2(6) . . . . ?
C5_1 C4_1 C24_1 C25_1 118.5(5) . . . . ?
Li2_1 C4_1 C24_1 C25_1 25.6(7) . . . . ?
C3_1 C4_1 C24_1 C29_1 122.4(5) . . . . ?
C5_1 C4_1 C24_1 C29_1 -56.9(6) . . . . ?
Li2_1 C4_1 C24_1 C29_1 -149.8(4) . . . . ?
C29_1 C24_1 C25_1 C26_1 3.1(7) . . . . ?
C4_1 C24_1 C25_1 C26_1 -172.4(4) . . . . ?
C24_1 C25_1 C26_1 C27_1 -1.3(7) . . . . ?
C25_1 C26_1 C27_1 C28_1 -0.8(8) . . . . ?
C26_1 C27_1 C28_1 C29_1 0.9(8) . . . . ?
C27_1 C28_1 C29_1 C24_1 1.0(7) . . . . ?
C25_1 C24_1 C29_1 C28_1 -2.9(7) . . . . ?
C4_1 C24_1 C29_1 C28_1 172.8(4) . . . . ?
C3_1 Li2_1 O1S_1 C5S_1 -145.4(7) . . . . ?
C4_1 Li2_1 O1S_1 C5S_1 149.5(8) . . . . ?
C5_1 Li2_1 O1S_1 C5S_1 77.4(10) . . . . ?
C2_1 Li2_1 O1S_1 C5S_1 -85.0(8) . . . . ?
Si1_1 Li2_1 O1S_1 C5S_1 -9.6(11) . . . . ?
C3_1 Li2_1 O1S_1 C2S_1 18.0(10) . . . . ?
C4_1 Li2_1 O1S_1 C2S_1 -47.2(10) . . . . ?
C5_1 Li2_1 O1S_1 C2S_1 -119.2(8) . . . . ?
C2_1 Li2_1 O1S_1 C2S_1 78.3(8) . . . . ?
Si1_1 Li2_1 O1S_1 C2S_1 153.8(7) . . . . ?
C5S_1 O1S_1 C2S_1 C3S_1 -17.3(7) . . . . ?
Li2_1 O1S_1 C2S_1 C3S_1 176.9(6) . . . . ?
O1S_1 C2S_1 C3S_1 C4S_1 5.7(8) . . . . ?
C2S_1 C3S_1 C4S_1 C5S_1 7.6(10) . . . . ?
C2S_1 O1S_1 C5S_1 C4S_1 22.2(7) . . . . ?
Li2_1 O1S_1 C5S_1 C4S_1 -172.2(6) . . . . ?
C3S_1 C4S_1 C5S_1 O1S_1 -18.1(9) . . . . ?
C5_2 Si1_2 C2_2 C3_2 -8.0(3) . . . . ?
C6_2 Si1_2 C2_2 C3_2 -169.1(3) . . . . ?
Li1_2 Si1_2 C2_2 C3_2 -58.7(3) . . . . ?
C5_2 Si1_2 C2_2 Si2_2 -173.3(3) . . . . ?
C6_2 Si1_2 C2_2 Si2_2 25.6(4) . . . . ?
Li1_2 Si1_2 C2_2 Si2_2 135.9(4) . . . . ?
C5_2 Si1_2 C2_2 Li1_2 50.8(3) . . . . ?
C6_2 Si1_2 C2_2 Li1_2 -110.3(3) . . . . ?
C17_2 Si2_2 C2_2 C3_2 -35.7(5) . . . . ?
C16_2 Si2_2 C2_2 C3_2 -154.3(4) . . . . ?
C15_2 Si2_2 C2_2 C3_2 86.9(4) . . . . ?
C17_2 Si2_2 C2_2 Si1_2 126.6(3) . . . . ?
C16_2 Si2_2 C2_2 Si1_2 8.0(4) . . . . ?
C15_2 Si2_2 C2_2 Si1_2 -110.7(4) . . . . ?
C17_2 Si2_2 C2_2 Li1_2 -125.6(4) . . . . ?
C16_2 Si2_2 C2_2 Li1_2 115.8(4) . . . . ?
C15_2 Si2_2 C2_2 Li1_2 -2.9(5) . . . . ?
Si1_2 C2_2 C3_2 C4_2 4.9(4) . . . . ?
Si2_2 C2_2 C3_2 C4_2 170.6(3) . . . . ?
Li1_2 C2_2 C3_2 C4_2 -60.1(4) . . . . ?
Si1_2 C2_2 C3_2 C18_2 -173.0(3) . . . . ?
Si2_2 C2_2 C3_2 C18_2 -7.2(6) . . . . ?
Li1_2 C2_2 C3_2 C18_2 122.1(5) . . . . ?
Si1_2 C2_2 C3_2 Li1_2 65.0(3) . . . . ?
Si2_2 C2_2 C3_2 Li1_2 -129.3(4) . . . . ?
C2_2 C3_2 C4_2 C5_2 1.8(6) . . . . ?
C18_2 C3_2 C4_2 C5_2 179.6(4) . . . . ?
Li1_2 C3_2 C4_2 C5_2 -61.9(4) . . . . ?
C2_2 C3_2 C4_2 C24_2 -177.3(4) . . . . ?
C18_2 C3_2 C4_2 C24_2 0.5(6) . . . . ?
Li1_2 C3_2 C4_2 C24_2 119.0(4) . . . . ?
C2_2 C3_2 C4_2 Li1_2 63.7(4) . . . . ?
C18_2 C3_2 C4_2 Li1_2 -118.5(5) . . . . ?
C3_2 C4_2 C5_2 Si1_2 -7.4(4) . . . . ?
C24_2 C4_2 C5_2 Si1_2 171.7(3) . . . . ?
Li1_2 C4_2 C5_2 Si1_2 -67.3(3) . . . . ?
C3_2 C4_2 C5_2 Si3_2 175.6(3) . . . . ?
C24_2 C4_2 C5_2 Si3_2 -5.3(6) . . . . ?
Li1_2 C4_2 C5_2 Si3_2 115.7(4) . . . . ?
C3_2 C4_2 C5_2 Li1_2 59.9(4) . . . . ?
C24_2 C4_2 C5_2 Li1_2 -121.0(5) . . . . ?
C2_2 Si1_2 C5_2 C4_2 8.9(3) . . . . ?
C6_2 Si1_2 C5_2 C4_2 169.7(3) . . . . ?
Li1_2 Si1_2 C5_2 C4_2 61.1(3) . . . . ?
C2_2 Si1_2 C5_2 Si3_2 -174.0(3) . . . . ?
C6_2 Si1_2 C5_2 Si3_2 -13.2(4) . . . . ?
Li1_2 Si1_2 C5_2 Si3_2 -121.9(4) . . . . ?
C2_2 Si1_2 C5_2 Li1_2 -52.2(3) . . . . ?
C6_2 Si1_2 C5_2 Li1_2 108.6(3) . . . . ?
C30_2 Si3_2 C5_2 C4_2 -33.5(5) . . . . ?
C31_2 Si3_2 C5_2 C4_2 91.5(4) . . . . ?
C32_2 Si3_2 C5_2 C4_2 -152.8(4) . . . . ?
C30_2 Si3_2 C5_2 Si1_2 150.2(3) . . . . ?
C31_2 Si3_2 C5_2 Si1_2 -84.8(3) . . . . ?
C32_2 Si3_2 C5_2 Si1_2 30.9(4) . . . . ?
C30_2 Si3_2 C5_2 Li1_2 52.8(4) . . . . ?
C31_2 Si3_2 C5_2 Li1_2 177.8(4) . . . . ?
C32_2 Si3_2 C5_2 Li1_2 -66.5(4) . . . . ?
C2_2 Si1_2 C6_2 C7_2 76.7(4) . . . . ?
C5_2 Si1_2 C6_2 C7_2 -78.6(4) . . . . ?
Li1_2 Si1_2 C6_2 C7_2 -2.1(5) . . . . ?
C2_2 Si1_2 C6_2 C11_2 -103.6(4) . . . . ?
C5_2 Si1_2 C6_2 C11_2 101.1(4) . . . . ?
Li1_2 Si1_2 C6_2 C11_2 177.5(4) . . . . ?
C11_2 C6_2 C7_2 C8_2 -0.2(6) . . . . ?
Si1_2 C6_2 C7_2 C8_2 179.5(3) . . . . ?
C11_2 C6_2 C7_2 C12_2 178.9(4) . . . . ?
Si1_2 C6_2 C7_2 C12_2 -1.5(6) . . . . ?
C6_2 C7_2 C8_2 C9_2 0.0(7) . . . . ?
C12_2 C7_2 C8_2 C9_2 -179.1(4) . . . . ?
C7_2 C8_2 C9_2 C10_2 0.0(7) . . . . ?
C7_2 C8_2 C9_2 C13_2 177.7(4) . . . . ?
C8_2 C9_2 C10_2 C11_2 0.3(7) . . . . ?
C13_2 C9_2 C10_2 C11_2 -177.4(4) . . . . ?
C9_2 C10_2 C11_2 C6_2 -0.5(7) . . . . ?
C9_2 C10_2 C11_2 C14_2 178.6(4) . . . . ?
C7_2 C6_2 C11_2 C10_2 0.4(6) . . . . ?
Si1_2 C6_2 C11_2 C10_2 -179.2(3) . . . . ?
C7_2 C6_2 C11_2 C14_2 -178.7(4) . . . . ?
Si1_2 C6_2 C11_2 C14_2 1.7(6) . . . . ?
C4_2 C3_2 C18_2 C23_2 -68.3(6) . . . . ?
C2_2 C3_2 C18_2 C23_2 109.4(5) . . . . ?
Li1_2 C3_2 C18_2 C23_2 -155.5(4) . . . . ?
C4_2 C3_2 C18_2 C19_2 112.7(5) . . . . ?
C2_2 C3_2 C18_2 C19_2 -69.6(6) . . . . ?
Li1_2 C3_2 C18_2 C19_2 25.5(6) . . . . ?
C23_2 C18_2 C19_2 C20_2 1.1(7) . . . . ?
C3_2 C18_2 C19_2 C20_2 -179.8(4) . . . . ?
C18_2 C19_2 C20_2 C21_2 -0.7(7) . . . . ?
C19_2 C20_2 C21_2 C22_2 0.2(8) . . . . ?
C20_2 C21_2 C22_2 C23_2 0.0(8) . . . . ?
C19_2 C18_2 C23_2 C22_2 -0.9(7) . . . . ?
C3_2 C18_2 C23_2 C22_2 -180.0(4) . . . . ?
C21_2 C22_2 C23_2 C18_2 0.4(7) . . . . ?
C3_2 C4_2 C24_2 C29_2 122.6(5) . . . . ?
C5_2 C4_2 C24_2 C29_2 -56.5(6) . . . . ?
Li1_2 C4_2 C24_2 C29_2 -149.8(4) . . . . ?
C3_2 C4_2 C24_2 C25_2 -56.8(6) . . . . ?
C5_2 C4_2 C24_2 C25_2 124.1(5) . . . . ?
Li1_2 C4_2 C24_2 C25_2 30.8(6) . . . . ?
C29_2 C24_2 C25_2 C26_2 0.9(7) . . . . ?
C4_2 C24_2 C25_2 C26_2 -179.6(4) . . . . ?
C24_2 C25_2 C26_2 C27_2 0.6(7) . . . . ?
C25_2 C26_2 C27_2 C28_2 -1.1(8) . . . . ?
C26_2 C27_2 C28_2 C29_2 0.2(8) . . . . ?
C25_2 C24_2 C29_2 C28_2 -1.9(7) . . . . ?
C4_2 C24_2 C29_2 C28_2 178.7(4) . . . . ?
C27_2 C28_2 C29_2 C24_2 1.4(7) . . . . ?
C4_2 Li1_2 O1S_2 C2S_2 70.8(9) . . . . ?
C3_2 Li1_2 O1S_2 C2S_2 139.6(8) . . . . ?
C5_2 Li1_2 O1S_2 C2S_2 9.1(9) . . . . ?
C2_2 Li1_2 O1S_2 C2S_2 -147.2(8) . . . . ?
Si1_2 Li1_2 O1S_2 C2S_2 -64.5(9) . . . . ?
C4_2 Li1_2 O1S_2 C5S_2 -133.2(7) . . . . ?
C3_2 Li1_2 O1S_2 C5S_2 -64.4(10) . . . . ?
C5_2 Li1_2 O1S_2 C5S_2 165.1(6) . . . . ?
C2_2 Li1_2 O1S_2 C5S_2 8.8(11) . . . . ?
Si1_2 Li1_2 O1S_2 C5S_2 91.4(8) . . . . ?
C5S_2 O1S_2 C2S_2 C3S_2 -12.4(6) . . . . ?
Li1_2 O1S_2 C2S_2 C3S_2 145.8(5) . . . . ?
O1S_2 C2S_2 C3S_2 C4S_2 33.0(6) . . . . ?
C2S_2 C3S_2 C4S_2 C5S_2 -41.2(6) . . . . ?
C3S_2 C4S_2 C5S_2 O1S_2 33.4(6) . . . . ?
C2S_2 O1S_2 C5S_2 C4S_2 -13.2(6) . . . . ?
Li1_2 O1S_2 C5S_2 C4S_2 -172.2(5) . . . . ?

_refine_diff_density_max         0.457
_refine_diff_density_min         -0.387
_refine_diff_density_rms         0.051


_chemical_properties_physical    
', Air-sensitive,Moisture-sensitive,Oxygen-sensitive'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: tetrahydrofuran'
