#------------------------------------------------------------------------------
#$Date: 2019-11-28 01:53:05 +0200 (Thu, 28 Nov 2019) $
#$Revision: 243798 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/37/4133738.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4133738
loop_
_publ_author_name
'Heider, Yannic'
'Willmes, Philipp'
'Huch, Volker'
'Zimmer, Michael'
'Scheschkewitz, David'
_publ_section_title
;
 Boron and phosphorus containing heterosiliconoids: stable p- and n-doped
 unsaturated silicon clusters.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/jacs.9b11181
_journal_year                    2019
_chemical_formula_moiety         'C132 H208 Li4 O3 Si10, 1.125 (C6 H14)'
_chemical_formula_sum            'C138.75 H223.75 Li4 O3 Si10'
_chemical_formula_weight         2248.57
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                107.539(3)
_cell_angle_beta                 97.162(3)
_cell_angle_gamma                93.935(3)
_cell_formula_units_Z            4
_cell_length_a                   16.0030(11)
_cell_length_b                   29.9444(19)
_cell_length_c                   31.757(2)
_cell_measurement_reflns_used    9020
_cell_measurement_temperature    152(2)
_cell_measurement_theta_max      27.55
_cell_measurement_theta_min      2.27
_cell_volume                     14306.3(16)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      152(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0579
_diffrn_reflns_av_unetI/netI     0.0898
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            256396
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.002
_diffrn_reflns_theta_min         1.133
_exptl_absorpt_coefficient_mu    0.138
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6979
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., 
 J. Appl. Cryst. 48 (2015) 3-10 
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.044
_exptl_crystal_description       block
_exptl_crystal_F_000             4929
_exptl_crystal_size_max          0.345
_exptl_crystal_size_mid          0.276
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.935
_refine_diff_density_min         -0.619
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2908
_refine_ls_number_reflns         67386
_refine_ls_number_restraints     282
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.1407
_refine_ls_R_factor_gt           0.0716
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0836P)²+11.2556P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1646
_refine_ls_wR_factor_ref         0.1988
_reflns_Friedel_coverage         0.000
_reflns_number_gt                38947
_reflns_number_total             67386
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja9b11181_si_001.cif
_cod_data_source_block           sh3898
_cod_original_cell_volume        14306.2(17)
_cod_database_code               4133738
_shelx_shelxl_version_number     2018/3
_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. 
;
_shelx_estimated_absorpt_t_min   0.954
_shelx_estimated_absorpt_t_max   0.973
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 Si 0.49811(5) 1.07717(3) 0.78311(3) 0.0368(2) Uani 1 1 d . . . . .
Si2 Si 0.39762(5) 1.11474(3) 0.75102(3) 0.03270(19) Uani 1 1 d . . . . .
Si3 Si 0.31784(5) 1.13493(3) 0.81015(2) 0.02571(17) Uani 1 1 d . . . . .
Si4 Si 0.37228(5) 1.06410(3) 0.81064(3) 0.02856(17) Uani 1 1 d . . . . .
Si5 Si 0.36076(5) 1.03283(3) 0.73240(3) 0.03240(19) Uani 1 1 d . . . . .
Si6 Si 0.62486(5) 0.95592(3) 0.72479(3) 0.03328(19) Uani 1 1 d . . . . .
Si7 Si 0.61410(6) 0.89982(3) 0.65320(3) 0.0344(2) Uani 1 1 d . . . . .
Si8 Si 0.65553(5) 0.83854(3) 0.68008(3) 0.02878(18) Uani 1 1 d . . . . .
Si9 Si 0.57513(5) 0.88325(3) 0.73145(3) 0.02773(17) Uani 1 1 d . . . . .
Si10 Si 0.48544(5) 0.90764(3) 0.67971(3) 0.03283(19) Uani 1 1 d . . . . .
C1 C 0.3662(2) 1.03716(10) 0.85760(10) 0.0364(7) Uani 1 1 d . . . . .
C2 C 0.3102(2) 0.99652(11) 0.85234(11) 0.0416(8) Uani 1 1 d . . . . .
C3 C 0.2971(3) 0.98288(13) 0.88924(12) 0.0562(10) Uani 1 1 d . . . . .
H3 H 0.257573 0.956268 0.885388 0.067 Uiso 1 1 calc R U . . .
C4 C 0.3399(3) 1.00696(15) 0.93140(14) 0.0689(13) Uani 1 1 d . . . . .
C5 C 0.3988(3) 1.04469(14) 0.93636(12) 0.0662(12) Uani 1 1 d . . . . .
H5 H 0.431113 1.060027 0.964977 0.079 Uiso 1 1 calc R U . . .
C6 C 0.4128(2) 1.06124(11) 0.90064(10) 0.0470(9) Uani 1 1 d . . . . .
C7 C 0.2670(2) 0.96618(11) 0.80703(12) 0.0514(9) Uani 1 1 d . . . . .
H7 H 0.255416 0.987309 0.788376 0.062 Uiso 1 1 calc R U . . .
C8 C 0.3276(4) 0.93242(13) 0.78528(14) 0.0815(15) Uani 1 1 d . . . . .
H8A H 0.382202 0.950174 0.786763 0.122 Uiso 1 1 calc R U . . .
H8B H 0.303649 0.916154 0.753967 0.122 Uiso 1 1 calc R U . . .
H8C H 0.335783 0.909214 0.801129 0.122 Uiso 1 1 calc R U . . .
C9 C 0.1821(3) 0.93883(18) 0.80701(18) 0.0948(17) Uani 1 1 d . . . . .
H9A H 0.192700 0.912655 0.818739 0.142 Uiso 1 1 calc R U . . .
H9B H 0.151546 0.926423 0.776411 0.142 Uiso 1 1 calc R U . . .
H9C H 0.147897 0.959992 0.825881 0.142 Uiso 1 1 calc R U . . .
C10 C 0.3154(4) 0.99434(19) 0.97196(16) 0.0981(18) Uani 1 1 d . . . . .
H10 H 0.277261 0.964117 0.958722 0.118 Uiso 1 1 calc R U . . .
C11 C 0.3822(6) 0.9833(3) 0.9991(2) 0.179(4) Uani 1 1 d . . . . .
H11A H 0.420224 1.012041 1.015542 0.269 Uiso 1 1 calc R U . . .
H11B H 0.413919 0.960396 0.980313 0.269 Uiso 1 1 calc R U . . .
H11C H 0.359039 0.969843 1.020318 0.269 Uiso 1 1 calc R U . . .
C12 C 0.2589(4) 1.02934(18) 0.99532(15) 0.0988(18) Uani 1 1 d . . . . .
H12A H 0.239608 1.019797 1.019746 0.148 Uiso 1 1 calc R U . . .
H12B H 0.209767 1.030106 0.973898 0.148 Uiso 1 1 calc R U . . .
H12C H 0.290827 1.060751 1.007407 0.148 Uiso 1 1 calc R U . . .
C13 C 0.4755(2) 1.10469(11) 0.90979(11) 0.0515(9) Uani 1 1 d . . . . .
H13 H 0.461107 1.118935 0.885454 0.062 Uiso 1 1 calc R U . . .
C14 C 0.5656(3) 1.09184(14) 0.90862(14) 0.0687(12) Uani 1 1 d . . . . .
H14A H 0.579289 1.074745 0.930033 0.103 Uiso 1 1 calc R U . . .
H14B H 0.605018 1.120648 0.916588 0.103 Uiso 1 1 calc R U . . .
H14C H 0.570540 1.071840 0.878497 0.103 Uiso 1 1 calc R U . . .
C15 C 0.4712(3) 1.14232(13) 0.95451(12) 0.0718(13) Uani 1 1 d . . . . .
H15A H 0.412194 1.148471 0.956462 0.108 Uiso 1 1 calc R U . . .
H15B H 0.505436 1.171462 0.956400 0.108 Uiso 1 1 calc R U . . .
H15C H 0.493171 1.131013 0.979198 0.108 Uiso 1 1 calc R U . . .
C16 C 0.4078(2) 1.14555(11) 0.70699(11) 0.0435(8) Uani 1 1 d . . . . .
C17 C 0.4851(3) 1.17005(12) 0.70471(12) 0.0516(9) Uani 1 1 d . . . . .
C18 C 0.4897(3) 1.18966(14) 0.67017(14) 0.0667(12) Uani 1 1 d . . . . .
H18 H 0.542670 1.204769 0.668386 0.080 Uiso 1 1 calc R U . . .
C19 C 0.4220(3) 1.18822(15) 0.63893(14) 0.0692(12) Uani 1 1 d . . . . .
C20 C 0.3453(3) 1.16542(14) 0.64185(12) 0.0639(11) Uani 1 1 d . . . . .
H20 H 0.296968 1.164375 0.620756 0.077 Uiso 1 1 calc R U . . .
C21 C 0.3369(2) 1.14387(12) 0.67502(11) 0.0487(9) Uani 1 1 d . . . . .
C22 C 0.5648(3) 1.17458(13) 0.73731(14) 0.0599(10) Uani 1 1 d . . . . .
H22 H 0.547396 1.168649 0.764490 0.072 Uiso 1 1 calc R U . . .
C23 C 0.6234(3) 1.13752(18) 0.71844(17) 0.0845(14) Uani 1 1 d . . . . .
H23A H 0.592160 1.106000 0.709625 0.127 Uiso 1 1 calc R U . . .
H23B H 0.672048 1.139838 0.741326 0.127 Uiso 1 1 calc R U . . .
H23C H 0.643398 1.143050 0.692307 0.127 Uiso 1 1 calc R U . . .
C24 C 0.6140(3) 1.22401(17) 0.75242(17) 0.0917(16) Uani 1 1 d . . . . .
H24A H 0.638936 1.229255 0.727404 0.137 Uiso 1 1 calc R U . . .
H24B H 0.659214 1.226612 0.777178 0.137 Uiso 1 1 calc R U . . .
H24C H 0.575337 1.247709 0.762336 0.137 Uiso 1 1 calc R U . . .
C25 C 0.4333(4) 1.21191(17) 0.60276(16) 0.0917(18) Uani 1 1 d . . . . .
H25 H 0.478189 1.196821 0.585917 0.110 Uiso 1 1 calc R U . . .
C26 C 0.3545(4) 1.2058(2) 0.5697(2) 0.122(2) Uani 1 1 d . . . . .
H26A H 0.310964 1.222854 0.584812 0.183 Uiso 1 1 calc R U . . .
H26B H 0.333700 1.172217 0.556974 0.183 Uiso 1 1 calc R U . . .
H26C H 0.367258 1.218298 0.545767 0.183 Uiso 1 1 calc R U . . .
C27 C 0.4646(5) 1.2640(2) 0.6246(2) 0.126(2) Uani 1 1 d . . . . .
H27A H 0.474662 1.278353 0.601432 0.189 Uiso 1 1 calc R U . . .
H27B H 0.517441 1.267424 0.645040 0.189 Uiso 1 1 calc R U . . .
H27C H 0.421644 1.279807 0.641261 0.189 Uiso 1 1 calc R U . . .
C28 C 0.2517(2) 1.11811(13) 0.67396(11) 0.0519(9) Uani 1 1 d . . . . .
H28 H 0.250898 1.113796 0.703931 0.062 Uiso 1 1 calc R U . . .
C29 C 0.2404(3) 1.06875(14) 0.63907(12) 0.0621(11) Uani 1 1 d . . . . .
H29A H 0.245930 1.071713 0.609618 0.093 Uiso 1 1 calc R U . . .
H29B H 0.184058 1.052993 0.638042 0.093 Uiso 1 1 calc R U . . .
H29C H 0.283842 1.050125 0.647349 0.093 Uiso 1 1 calc R U . . .
C30 C 0.1750(3) 1.14404(15) 0.66466(13) 0.0670(12) Uani 1 1 d . . . . .
H30A H 0.184814 1.176836 0.684138 0.100 Uiso 1 1 calc R U . . .
H30B H 0.123884 1.128448 0.670592 0.100 Uiso 1 1 calc R U . . .
H30C H 0.167387 1.143296 0.633348 0.100 Uiso 1 1 calc R U . . .
C31 C 0.34584(17) 1.18141(9) 0.86839(9) 0.0276(6) Uani 1 1 d . . . . .
C32 C 0.41675(18) 1.21581(10) 0.88223(10) 0.0328(7) Uani 1 1 d . . . . .
C33 C 0.4299(2) 1.24810(10) 0.92496(11) 0.0387(7) Uani 1 1 d . . . . .
H33 H 0.478458 1.270765 0.933507 0.046 Uiso 1 1 calc R U . . .
C34 C 0.3755(2) 1.24867(10) 0.95548(10) 0.0389(7) Uani 1 1 d . . . . .
C35 C 0.3065(2) 1.21500(10) 0.94215(10) 0.0371(7) Uani 1 1 d . . . . .
H35 H 0.267930 1.214723 0.962545 0.045 Uiso 1 1 calc R U . . .
C36 C 0.29057(18) 1.18113(10) 0.89988(9) 0.0303(6) Uani 1 1 d . . . . .
C37 C 0.4822(2) 1.21995(11) 0.85223(11) 0.0417(8) Uani 1 1 d . . . . .
H37 H 0.460718 1.197652 0.821682 0.050 Uiso 1 1 calc R U . . .
C38 C 0.5664(2) 1.20528(13) 0.86874(14) 0.0576(10) Uani 1 1 d . . . . .
H38A H 0.586913 1.225134 0.899532 0.086 Uiso 1 1 calc R U . . .
H38B H 0.608023 1.209058 0.849547 0.086 Uiso 1 1 calc R U . . .
H38C H 0.558350 1.172211 0.867734 0.086 Uiso 1 1 calc R U . . .
C39 C 0.4949(3) 1.26965(13) 0.84819(14) 0.0607(10) Uani 1 1 d . . . . .
H39A H 0.441018 1.277627 0.835587 0.091 Uiso 1 1 calc R U . . .
H39B H 0.537143 1.270673 0.828559 0.091 Uiso 1 1 calc R U . . .
H39C H 0.514651 1.292409 0.877840 0.091 Uiso 1 1 calc R U . . .
C40 C 0.3924(3) 1.28433(12) 1.00218(12) 0.0543(9) Uani 1 1 d . . . . .
H40 H 0.342828 1.280293 1.017523 0.065 Uiso 1 1 calc R U . . .
C41 C 0.4712(3) 1.27493(17) 1.02942(14) 0.0890(16) Uani 1 1 d . . . . .
H41A H 0.463279 1.242853 1.031224 0.133 Uiso 1 1 calc R U . . .
H41B H 0.480140 1.297605 1.059601 0.133 Uiso 1 1 calc R U . . .
H41C H 0.520762 1.278319 1.014873 0.133 Uiso 1 1 calc R U . . .
C42 C 0.4010(3) 1.33439(13) 1.00085(15) 0.0765(13) Uani 1 1 d . . . . .
H42A H 0.452063 1.340082 0.988247 0.115 Uiso 1 1 calc R U . . .
H42B H 0.405386 1.356258 1.031228 0.115 Uiso 1 1 calc R U . . .
H42C H 0.351139 1.339338 0.982207 0.115 Uiso 1 1 calc R U . . .
C43 C 0.21241(19) 1.14546(10) 0.89021(10) 0.0351(7) Uani 1 1 d . . . . .
H43 H 0.210446 1.123533 0.859229 0.042 Uiso 1 1 calc R U . . .
C44 C 0.2164(2) 1.11559(12) 0.92173(11) 0.0485(9) Uani 1 1 d . . . . .
H44A H 0.267023 1.098896 0.919210 0.073 Uiso 1 1 calc R U . . .
H44B H 0.165724 1.092652 0.913624 0.073 Uiso 1 1 calc R U . . .
H44C H 0.218978 1.136069 0.952546 0.073 Uiso 1 1 calc R U . . .
C45 C 0.1311(2) 1.16974(13) 0.89089(13) 0.0513(9) Uani 1 1 d . . . . .
H45A H 0.130932 1.191579 0.920882 0.077 Uiso 1 1 calc R U . . .
H45B H 0.081782 1.145938 0.882960 0.077 Uiso 1 1 calc R U . . .
H45C H 0.128735 1.187240 0.869272 0.077 Uiso 1 1 calc R U . . .
C46 C 0.20562(18) 1.14583(10) 0.78855(9) 0.0305(6) Uani 1 1 d . . . . .
C47 C 0.13279(19) 1.11246(11) 0.77515(10) 0.0359(7) Uani 1 1 d . . . . .
C48 C 0.0541(2) 1.12533(12) 0.76171(11) 0.0444(8) Uani 1 1 d . . . . .
H48 H 0.006142 1.102249 0.753019 0.053 Uiso 1 1 calc R U . . .
C49 C 0.0434(2) 1.17021(13) 0.76059(12) 0.0499(9) Uani 1 1 d . . . . .
C50 C 0.1147(2) 1.20253(13) 0.77277(11) 0.0477(9) Uani 1 1 d . . . . .
H50 H 0.108597 1.233664 0.772108 0.057 Uiso 1 1 calc R U . . .
C51 C 0.1952(2) 1.19180(11) 0.78600(10) 0.0365(7) Uani 1 1 d . . . . .
C52 C 0.1348(2) 1.06159(11) 0.77456(11) 0.0395(7) Uani 1 1 d . . . . .
H52 H 0.192687 1.058686 0.788734 0.047 Uiso 1 1 calc R U . . .
C53 C 0.1205(2) 1.02792(13) 0.72665(13) 0.0583(10) Uani 1 1 d . . . . .
H53A H 0.064401 1.030271 0.711674 0.088 Uiso 1 1 calc R U . . .
H53B H 0.123994 0.995537 0.727170 0.088 Uiso 1 1 calc R U . . .
H53C H 0.164101 1.036381 0.710407 0.088 Uiso 1 1 calc R U . . .
C54 C 0.0712(2) 1.04669(13) 0.80123(13) 0.0552(9) Uani 1 1 d . . . . .
H54A H 0.081875 1.067861 0.832090 0.083 Uiso 1 1 calc R U . . .
H54B H 0.077387 1.014310 0.801081 0.083 Uiso 1 1 calc R U . . .
H54C H 0.013513 1.048330 0.787639 0.083 Uiso 1 1 calc R U . . .
C55 C -0.0430(2) 1.18561(16) 0.74844(16) 0.0710(12) Uani 1 1 d . . . . .
H55 H -0.035392 1.205986 0.729077 0.085 Uiso 1 1 calc R U . . .
C56 C -0.1092(4) 1.1450(2) 0.7226(3) 0.155(3) Uani 1 1 d . . . . .
H56A H -0.119838 1.125046 0.741155 0.233 Uiso 1 1 calc R U . . .
H56B H -0.088887 1.126429 0.695506 0.233 Uiso 1 1 calc R U . . .
H56C H -0.161854 1.157301 0.714209 0.233 Uiso 1 1 calc R U . . .
C57 C -0.0745(3) 1.21491(18) 0.78958(19) 0.0903(16) Uani 1 1 d . . . . .
H57A H -0.129893 1.224394 0.781040 0.136 Uiso 1 1 calc R U . . .
H57B H -0.034176 1.243058 0.804516 0.136 Uiso 1 1 calc R U . . .
H57C H -0.080004 1.196352 0.809977 0.136 Uiso 1 1 calc R U . . .
C58 C 0.2670(2) 1.23116(11) 0.79892(11) 0.0419(8) Uani 1 1 d . . . . .
H58 H 0.320451 1.217334 0.805337 0.050 Uiso 1 1 calc R U . . .
C59 C 0.2784(3) 1.25301(13) 0.76154(13) 0.0567(10) Uani 1 1 d . . . . .
H59A H 0.291398 1.228792 0.735374 0.085 Uiso 1 1 calc R U . . .
H59B H 0.325058 1.278580 0.772168 0.085 Uiso 1 1 calc R U . . .
H59C H 0.226000 1.265560 0.753324 0.085 Uiso 1 1 calc R U . . .
C60 C 0.2565(2) 1.26963(12) 0.84212(12) 0.0537(9) Uani 1 1 d . . . . .
H60A H 0.204938 1.284328 0.836920 0.081 Uiso 1 1 calc R U . . .
H60B H 0.305699 1.293591 0.851005 0.081 Uiso 1 1 calc R U . . .
H60C H 0.252005 1.255458 0.865949 0.081 Uiso 1 1 calc R U . . .
C61 C 0.52748(18) 0.86733(10) 0.77808(9) 0.0282(6) Uani 1 1 d . . . . .
C62 C 0.45947(18) 0.83082(10) 0.76676(9) 0.0307(6) Uani 1 1 d . . . . .
C63 C 0.42149(19) 0.82070(11) 0.80024(10) 0.0354(7) Uani 1 1 d . . . . .
H63 H 0.376094 0.796078 0.791982 0.043 Uiso 1 1 calc R U . . .
C64 C 0.4466(2) 0.84473(11) 0.84492(10) 0.0391(7) Uani 1 1 d . . . . .
C65 C 0.5133(2) 0.87965(11) 0.85598(10) 0.0401(8) Uani 1 1 d . . . . .
H65 H 0.531425 0.896691 0.886638 0.048 Uiso 1 1 calc R U . . .
C66 C 0.55569(19) 0.89124(10) 0.82393(10) 0.0340(7) Uani 1 1 d . . . . .
C67 C 0.42558(18) 0.80094(10) 0.71907(9) 0.0327(7) Uani 1 1 d . . . . .
H67 H 0.464253 0.809027 0.699371 0.039 Uiso 1 1 calc R U . . .
C68 C 0.4236(2) 0.74807(11) 0.71197(11) 0.0417(8) Uani 1 1 d . . . . .
H68A H 0.479472 0.741121 0.723159 0.063 Uiso 1 1 calc R U . . .
H68B H 0.408823 0.730775 0.680018 0.063 Uiso 1 1 calc R U . . .
H68C H 0.381145 0.738391 0.728190 0.063 Uiso 1 1 calc R U . . .
C69 C 0.3375(2) 0.81279(12) 0.70448(11) 0.0424(8) Uani 1 1 d . . . . .
H69A H 0.298674 0.806561 0.724108 0.064 Uiso 1 1 calc R U . . .
H69B H 0.316722 0.793274 0.673600 0.064 Uiso 1 1 calc R U . . .
H69C H 0.340603 0.846156 0.706368 0.064 Uiso 1 1 calc R U . . .
C70 C 0.3992(2) 0.83197(12) 0.87937(11) 0.0471(8) Uani 1 1 d . . . . .
H70 H 0.381992 0.797188 0.867909 0.056 Uiso 1 1 calc R U . . .
C71 C 0.4530(3) 0.84254(15) 0.92476(12) 0.0663(11) Uani 1 1 d . . . . .
H71A H 0.505156 0.827323 0.921293 0.099 Uiso 1 1 calc R U . . .
H71B H 0.421292 0.830430 0.944241 0.099 Uiso 1 1 calc R U . . .
H71C H 0.467438 0.876685 0.938079 0.099 Uiso 1 1 calc R U . . .
C72 C 0.3182(3) 0.85586(14) 0.88256(13) 0.0620(11) Uani 1 1 d . . . . .
H72A H 0.286176 0.845965 0.903212 0.093 Uiso 1 1 calc R U . . .
H72B H 0.283638 0.846851 0.852935 0.093 Uiso 1 1 calc R U . . .
H72C H 0.332619 0.890142 0.893588 0.093 Uiso 1 1 calc R U . . .
C73 C 0.6307(2) 0.92878(11) 0.83967(10) 0.0410(8) Uani 1 1 d . . . . .
H73 H 0.661669 0.926716 0.813793 0.049 Uiso 1 1 calc R U . . .
C74 C 0.6925(2) 0.92110(15) 0.87716(13) 0.0617(10) Uani 1 1 d . . . . .
H74A H 0.744492 0.942726 0.883085 0.093 Uiso 1 1 calc R U . . .
H74B H 0.706327 0.888504 0.868033 0.093 Uiso 1 1 calc R U . . .
H74C H 0.666230 0.927144 0.904320 0.093 Uiso 1 1 calc R U . . .
C75 C 0.6035(3) 0.97768(12) 0.85500(13) 0.0629(11) Uani 1 1 d . . . . .
H75A H 0.568722 0.983650 0.830005 0.094 Uiso 1 1 calc R U . . .
H75B H 0.653719 1.000972 0.865555 0.094 Uiso 1 1 calc R U . . .
H75C H 0.570308 0.980139 0.879389 0.094 Uiso 1 1 calc R U . . .
C76 C 0.6527(2) 0.91487(12) 0.60385(11) 0.0460(9) Uani 1 1 d . . . . .
C77 C 0.5996(3) 0.90372(14) 0.56191(11) 0.0562(10) Uani 1 1 d . . . . .
C78 C 0.6322(3) 0.91273(18) 0.52630(14) 0.0794(15) Uani 1 1 d . . . . .
H78 H 0.595949 0.905727 0.498537 0.095 Uiso 1 1 calc R U . . .
C79 C 0.7129(3) 0.9310(2) 0.52946(15) 0.0897(17) Uani 1 1 d . . . . .
C80 C 0.7643(3) 0.94311(18) 0.57075(15) 0.0771(14) Uani 1 1 d . . . . .
H80 H 0.820438 0.957595 0.573821 0.093 Uiso 1 1 calc R U . . .
C81 C 0.7362(2) 0.93472(14) 0.60785(13) 0.0557(10) Uani 1 1 d . . . . .
C82 C 0.5081(2) 0.88391(14) 0.55434(11) 0.0548(10) Uani 1 1 d . . . . .
H82 H 0.501600 0.866525 0.576340 0.066 Uiso 1 1 calc R U . . .
C83 C 0.4763(3) 0.84900(17) 0.50736(12) 0.0827(15) Uani 1 1 d . . . . .
H83A H 0.471588 0.866186 0.485492 0.124 Uiso 1 1 calc R U . . .
H83B H 0.420654 0.832973 0.507059 0.124 Uiso 1 1 calc R U . . .
H83C H 0.516491 0.825633 0.499644 0.124 Uiso 1 1 calc R U . . .
C84 C 0.4495(3) 0.92305(15) 0.56320(14) 0.0651(11) Uani 1 1 d . . . . .
H84A H 0.465803 0.944265 0.593855 0.098 Uiso 1 1 calc R U . . .
H84B H 0.390769 0.909018 0.559258 0.098 Uiso 1 1 calc R U . . .
H84C H 0.454470 0.940881 0.542161 0.098 Uiso 1 1 calc R U . . .
C85 C 0.7475(4) 0.9384(3) 0.4886(2) 0.128(3) Uani 1 1 d . . . . .
H85 H 0.703120 0.920541 0.462831 0.154 Uiso 1 1 calc R U . . .
C86 C 0.8235(5) 0.9136(4) 0.4796(2) 0.190(4) Uani 1 1 d . . . . .
H86A H 0.827878 0.905583 0.447772 0.284 Uiso 1 1 calc R U . . .
H86B H 0.818540 0.884624 0.487945 0.284 Uiso 1 1 calc R U . . .
H86C H 0.874223 0.934044 0.497254 0.284 Uiso 1 1 calc R U . . .
C87 C 0.7448(5) 0.9878(3) 0.48979(18) 0.151(3) Uani 1 1 d . . . . .
H87A H 0.783564 1.008396 0.515832 0.227 Uiso 1 1 calc R U . . .
H87B H 0.687027 0.996211 0.491869 0.227 Uiso 1 1 calc R U . . .
H87C H 0.762129 0.991729 0.462461 0.227 Uiso 1 1 calc R U . . .
C88 C 0.7993(2) 0.94893(14) 0.65134(13) 0.0562(10) Uani 1 1 d . . . . .
H88 H 0.775064 0.933724 0.671858 0.067 Uiso 1 1 calc R U . . .
C89 C 0.8864(2) 0.93174(16) 0.64530(15) 0.0677(12) Uani 1 1 d . . . . .
H89A H 0.879214 0.897767 0.629633 0.102 Uiso 1 1 calc R U . . .
H89B H 0.920900 0.938155 0.674654 0.102 Uiso 1 1 calc R U . . .
H89C H 0.914650 0.948311 0.627751 0.102 Uiso 1 1 calc R U . . .
C90 C 0.8083(3) 1.00158(16) 0.67412(16) 0.0777(13) Uani 1 1 d . . . . .
H90A H 0.824960 1.017916 0.653462 0.117 Uiso 1 1 calc R U . . .
H90B H 0.851694 1.009928 0.700702 0.117 Uiso 1 1 calc R U . . .
H90C H 0.753994 1.011024 0.682982 0.117 Uiso 1 1 calc R U . . .
C91 C 0.61312(18) 0.77265(10) 0.66130(9) 0.0304(6) Uani 1 1 d . . . . .
C92 C 0.5570(2) 0.74778(11) 0.62186(10) 0.0386(7) Uani 1 1 d . . . . .
C93 C 0.5342(2) 0.69973(12) 0.61193(11) 0.0476(8) Uani 1 1 d . . . . .
H93 H 0.495824 0.683847 0.585397 0.057 Uiso 1 1 calc R U . . .
C94 C 0.5647(2) 0.67385(12) 0.63892(12) 0.0483(9) Uani 1 1 d . . . . .
C95 C 0.6179(2) 0.69859(11) 0.67782(11) 0.0427(8) Uani 1 1 d . . . . .
H95 H 0.639314 0.681894 0.697206 0.051 Uiso 1 1 calc R U . . .
C96 C 0.64176(19) 0.74679(10) 0.68999(10) 0.0342(7) Uani 1 1 d . . . . .
C97 C 0.5188(2) 0.77111(12) 0.58872(10) 0.0435(8) Uani 1 1 d . . . . .
H97 H 0.551374 0.802903 0.596127 0.052 Uiso 1 1 calc R U . . .
C98 C 0.4273(2) 0.77873(13) 0.59390(11) 0.0529(9) Uani 1 1 d . . . . .
H98A H 0.394160 0.748307 0.588751 0.079 Uiso 1 1 calc R U . . .
H98B H 0.403777 0.793543 0.572108 0.079 Uiso 1 1 calc R U . . .
H98C H 0.424948 0.799263 0.624188 0.079 Uiso 1 1 calc R U . . .
C99 C 0.5251(3) 0.74432(14) 0.54012(11) 0.0626(11) Uani 1 1 d . . . . .
H99A H 0.584692 0.740815 0.536987 0.094 Uiso 1 1 calc R U . . .
H99B H 0.501928 0.761900 0.520702 0.094 Uiso 1 1 calc R U . . .
H99C H 0.492858 0.713098 0.531531 0.094 Uiso 1 1 calc R U . . .
C100 C 0.5409(3) 0.62124(13) 0.62543(14) 0.0665(11) Uani 1 1 d D . . . .
H1A0 H 0.495486 0.612254 0.598761 0.080 Uiso 0.713(10) 1 calc R U P A 1
H1B0 H 0.574301 0.610779 0.648822 0.080 Uiso 0.287(10) 1 calc R U P A 2
C1A1 C 0.6151(6) 0.5953(3) 0.6121(4) 0.112(3) Uani 0.713(10) 1 d D U P A 1
H1A1 H 0.637858 0.605770 0.588995 0.167 Uiso 0.713(10) 1 calc R U P A 1
H1A2 H 0.659127 0.601847 0.638263 0.167 Uiso 0.713(10) 1 calc R U P A 1
H1A3 H 0.596871 0.561384 0.600464 0.167 Uiso 0.713(10) 1 calc R U P A 1
C1A2 C 0.5087(9) 0.6047(3) 0.6600(3) 0.141(5) Uani 0.713(10) 1 d D U P A 1
H1A4 H 0.459991 0.621135 0.669311 0.212 Uiso 0.713(10) 1 calc R U P A 1
H1A5 H 0.491188 0.570682 0.648011 0.212 Uiso 0.713(10) 1 calc R U P A 1
H1A6 H 0.553444 0.611145 0.685810 0.212 Uiso 0.713(10) 1 calc R U P A 1
C1B1 C 0.565(2) 0.5934(7) 0.5828(6) 0.117(6) Uani 0.287(10) 1 d D U P A 2
H1B1 H 0.625067 0.601606 0.582626 0.176 Uiso 0.287(10) 1 calc R U P A 2
H1B2 H 0.554365 0.559716 0.579328 0.176 Uiso 0.287(10) 1 calc R U P A 2
H1B3 H 0.530890 0.600196 0.558033 0.176 Uiso 0.287(10) 1 calc R U P A 2
C1B2 C 0.4512(8) 0.6126(6) 0.6307(9) 0.136(6) Uani 0.287(10) 1 d D U P A 2
H1B4 H 0.441763 0.632744 0.659961 0.204 Uiso 0.287(10) 1 calc R U P A 2
H1B5 H 0.414406 0.619938 0.607114 0.204 Uiso 0.287(10) 1 calc R U P A 2
H1B6 H 0.437882 0.579458 0.628410 0.204 Uiso 0.287(10) 1 calc R U P A 2
C103 C 0.70069(19) 0.76936(11) 0.73419(10) 0.0357(7) Uani 1 1 d . . . . .
H103 H 0.710055 0.803969 0.738757 0.043 Uiso 1 1 calc R U . . .
C104 C 0.6624(2) 0.76295(12) 0.77408(11) 0.0470(8) Uani 1 1 d . . . . .
H10A H 0.609669 0.777762 0.776251 0.070 Uiso 1 1 calc R U . . .
H10B H 0.702609 0.777739 0.801574 0.070 Uiso 1 1 calc R U . . .
H10C H 0.650330 0.729248 0.769974 0.070 Uiso 1 1 calc R U . . .
C105 C 0.7871(2) 0.75041(13) 0.73224(13) 0.0511(9) Uani 1 1 d . . . . .
H10D H 0.780091 0.716532 0.728196 0.077 Uiso 1 1 calc R U . . .
H10E H 0.825206 0.766742 0.760177 0.077 Uiso 1 1 calc R U . . .
H10F H 0.811349 0.755831 0.707110 0.077 Uiso 1 1 calc R U . . .
C106 C 0.77695(18) 0.83785(10) 0.68408(10) 0.0344(7) Uani 1 1 d . . . . .
C107 C 0.8075(2) 0.81173(11) 0.64478(11) 0.0407(8) Uani 1 1 d . . . . .
C108 C 0.8944(2) 0.80729(13) 0.64648(14) 0.0540(10) Uani 1 1 d . . . . .
H108 H 0.913897 0.789275 0.620176 0.065 Uiso 1 1 calc R U . . .
C109 C 0.9528(2) 0.82766(15) 0.68424(15) 0.0589(11) Uani 1 1 d . . . . .
C110 C 0.9228(2) 0.85466(13) 0.72175(14) 0.0532(9) Uani 1 1 d . . . . .
H110 H 0.962373 0.870158 0.747900 0.064 Uiso 1 1 calc R U . . .
C111 C 0.83746(19) 0.86012(12) 0.72287(11) 0.0414(8) Uani 1 1 d . . . . .
C112 C 0.7516(2) 0.78768(12) 0.60016(11) 0.0460(8) Uani 1 1 d . . . . .
H112 H 0.692299 0.794678 0.603968 0.055 Uiso 1 1 calc R U . . .
C113 C 0.7516(2) 0.73427(13) 0.58674(13) 0.0560(10) Uani 1 1 d . . . . .
H11D H 0.809632 0.726303 0.584434 0.084 Uiso 1 1 calc R U . . .
H11E H 0.715564 0.719648 0.557797 0.084 Uiso 1 1 calc R U . . .
H11F H 0.729743 0.722563 0.609382 0.084 Uiso 1 1 calc R U . . .
C114 C 0.7760(3) 0.80609(15) 0.56249(13) 0.0624(11) Uani 1 1 d . . . . .
H11G H 0.772032 0.840069 0.570657 0.094 Uiso 1 1 calc R U . . .
H11H H 0.737242 0.789904 0.534756 0.094 Uiso 1 1 calc R U . . .
H11I H 0.834180 0.800016 0.558094 0.094 Uiso 1 1 calc R U . . .
C115 C 1.0470(3) 0.82193(19) 0.6865(2) 0.0918(15) Uani 1 1 d D U . . .
H1AA H 1.070710 0.855759 0.694988 0.110 Uiso 0.317(8) 1 calc R U P B 1
H1BA H 1.039463 0.802979 0.654141 0.110 Uiso 0.683(8) 1 calc R U P B 2
C1A6 C 1.0780(12) 0.8118(9) 0.7276(5) 0.115(5) Uani 0.317(8) 1 d D U P B 1
H1A7 H 1.047904 0.828580 0.751584 0.172 Uiso 0.317(8) 1 calc R U P B 1
H1A8 H 1.068121 0.777801 0.722637 0.172 Uiso 0.317(8) 1 calc R U P B 1
H1A9 H 1.138906 0.822160 0.736062 0.172 Uiso 0.317(8) 1 calc R U P B 1
C1A7 C 1.0744(11) 0.8043(8) 0.6433(4) 0.135(5) Uani 0.317(8) 1 d D U P B 1
H1AX H 1.042472 0.817033 0.621995 0.202 Uiso 0.317(8) 1 calc R U P B 1
H1AY H 1.135038 0.814188 0.646090 0.202 Uiso 0.317(8) 1 calc R U P B 1
H1AZ H 1.064253 0.769829 0.632664 0.202 Uiso 0.317(8) 1 calc R U P B 1
C1B6 C 1.0694(6) 0.7823(4) 0.7001(5) 0.140(4) Uani 0.683(8) 1 d D U P B 2
H1B7 H 1.017788 0.763490 0.701420 0.210 Uiso 0.683(8) 1 calc R U P B 2
H1B8 H 1.101432 0.762858 0.678481 0.210 Uiso 0.683(8) 1 calc R U P B 2
H1B9 H 1.104312 0.793439 0.729664 0.210 Uiso 0.683(8) 1 calc R U P B 2
C1B7 C 1.0935(4) 0.8606(3) 0.6788(3) 0.123(3) Uani 0.683(8) 1 d D U P B 2
H1BX H 1.053886 0.880669 0.669628 0.184 Uiso 0.683(8) 1 calc R U P B 2
H1BY H 1.130702 0.879111 0.706420 0.184 Uiso 0.683(8) 1 calc R U P B 2
H1BZ H 1.127822 0.848530 0.655237 0.184 Uiso 0.683(8) 1 calc R U P B 2
C118 C 0.8146(2) 0.89027(12) 0.76661(11) 0.0447(8) Uani 1 1 d . . . . .
H118 H 0.751402 0.887987 0.763618 0.054 Uiso 1 1 calc R U . . .
C119 C 0.8472(3) 0.87413(15) 0.80647(13) 0.0624(10) Uani 1 1 d . . . . .
H11J H 0.908901 0.874345 0.809157 0.094 Uiso 1 1 calc R U . . .
H11K H 0.821001 0.842129 0.801881 0.094 Uiso 1 1 calc R U . . .
H11L H 0.832498 0.895580 0.833885 0.094 Uiso 1 1 calc R U . . .
C120 C 0.8478(3) 0.94200(14) 0.77618(14) 0.0661(11) Uani 1 1 d . . . . .
H12D H 0.909789 0.945241 0.779190 0.099 Uiso 1 1 calc R U . . .
H12E H 0.830494 0.961010 0.803996 0.099 Uiso 1 1 calc R U . . .
H12F H 0.824359 0.952924 0.751490 0.099 Uiso 1 1 calc R U . . .
Li1 Li 0.6461(4) 1.0440(2) 0.7786(2) 0.0539(15) Uani 1 1 d . . . . .
Li2 Li 0.5107(4) 1.0109(2) 0.69176(19) 0.0498(14) Uani 1 1 d . . . . .
Li3 Li 0.3417(4) 0.9458(2) 0.67626(19) 0.0495(14) Uani 1 1 d . . . . .
Li4 Li 0.4780(3) 0.97997(19) 0.75586(17) 0.0413(12) Uani 1 1 d . . . . .
O1 O 0.74351(15) 1.08266(9) 0.81236(11) 0.0745(9) Uani 1 1 d . . . . .
O2 O 0.52495(16) 1.03102(9) 0.64109(8) 0.0544(7) Uani 1 1 d . . . . .
O3 O 0.25198(16) 0.91314(9) 0.63147(9) 0.0661(8) Uani 1 1 d . . . . .
C121 C 0.8271(3) 1.07274(17) 0.8182(2) 0.108(2) Uani 1 1 d D . . . .
H12G H 0.848446 1.064333 0.789208 0.129 Uiso 1 1 calc R U . . .
H12H H 0.830199 1.045647 0.829893 0.129 Uiso 1 1 calc R U . . .
C122 C 0.8790(3) 1.11417(17) 0.84971(18) 0.0901(15) Uani 1 1 d D . . . .
H12I H 0.917512 1.128883 0.834336 0.108 Uiso 1 1 calc R U . . .
H12J H 0.913133 1.105734 0.873822 0.108 Uiso 1 1 calc R U . . .
C123 C 0.8172(3) 1.1459(2) 0.8676(2) 0.117(2) Uani 1 1 d D . . . .
H12K H 0.810471 1.145505 0.898055 0.140 Uiso 1 1 calc R U . . .
H12L H 0.836277 1.178544 0.869072 0.140 Uiso 1 1 calc R U . . .
C124 C 0.7410(3) 1.1298(2) 0.8389(3) 0.183(5) Uani 1 1 d D . . . .
H12M H 0.731603 1.149970 0.819521 0.220 Uiso 1 1 calc R U . . .
H12N H 0.693665 1.131465 0.856456 0.220 Uiso 1 1 calc R U . . .
C125 C 0.5989(3) 1.03124(17) 0.61944(16) 0.0779(14) Uani 1 1 d . . . . .
H12O H 0.621302 1.000281 0.612971 0.094 Uiso 1 1 calc R U . . .
H12P H 0.643897 1.055889 0.638530 0.094 Uiso 1 1 calc R U . . .
C126 C 0.5691(5) 1.0415(3) 0.5768(2) 0.142(3) Uani 1 1 d . . . . .
H12Q H 0.614705 1.059791 0.568614 0.170 Uiso 1 1 calc R U . . .
H12R H 0.550527 1.011907 0.551951 0.170 Uiso 1 1 calc R U . . .
C127 C 0.5008(5) 1.0679(2) 0.58653(17) 0.107(2) Uani 1 1 d . . . . .
H12S H 0.460644 1.063832 0.558931 0.128 Uiso 1 1 calc R U . . .
H12T H 0.521248 1.101812 0.600247 0.128 Uiso 1 1 calc R U . . .
C128 C 0.4586(3) 1.04968(15) 0.61844(13) 0.0686(12) Uani 1 1 d . . . . .
H12U H 0.435566 1.075362 0.639980 0.082 Uiso 1 1 calc R U . . .
H12V H 0.411861 1.024670 0.602267 0.082 Uiso 1 1 calc R U . . .
C129 C 0.2540(3) 0.86661(15) 0.60196(16) 0.0808(14) Uani 1 1 d . . . . .
H12W H 0.232088 0.842552 0.614651 0.097 Uiso 1 1 calc R U . . .
H12$ H 0.312398 0.861186 0.596131 0.097 Uiso 1 1 calc R U . . .
C130 C 0.1980(6) 0.8651(3) 0.5604(2) 0.169(4) Uani 1 1 d . . . . .
H13A H 0.231624 0.873955 0.539346 0.203 Uiso 1 1 calc R U . . .
H13B H 0.168073 0.833120 0.545458 0.203 Uiso 1 1 calc R U . . .
C131 C 0.1380(6) 0.8988(3) 0.5742(3) 0.188(4) Uani 1 1 d . . . . .
H13C H 0.121336 0.913401 0.550703 0.226 Uiso 1 1 calc R U . . .
H13D H 0.086502 0.883413 0.580588 0.226 Uiso 1 1 calc R U . . .
C132 C 0.1827(3) 0.93359(18) 0.6141(2) 0.110(2) Uani 1 1 d . . . . .
H13E H 0.204229 0.961865 0.606958 0.132 Uiso 1 1 calc R U . . .
H13F H 0.144170 0.943207 0.636452 0.132 Uiso 1 1 calc R U . . .
Si11 Si 0.03495(5) 0.53181(3) 0.33615(3) 0.03020(18) Uani 1 1 d . . . . .
Si12 Si -0.04333(5) 0.59540(3) 0.36372(3) 0.03060(18) Uani 1 1 d . . . . .
Si13 Si 0.07501(6) 0.65043(3) 0.39990(3) 0.03317(19) Uani 1 1 d . . . . .
Si14 Si 0.11554(5) 0.59979(3) 0.33505(3) 0.03159(18) Uani 1 1 d . . . . .
Si15 Si -0.01922(5) 0.58464(3) 0.29068(3) 0.03281(19) Uani 1 1 d . . . . .
Si16 Si 0.00308(5) 0.40857(3) 0.21685(2) 0.02391(16) Uani 1 1 d . . . . .
Si17 Si -0.11163(4) 0.38025(2) 0.15933(2) 0.02022(15) Uani 1 1 d . . . . .
Si18 Si -0.03434(4) 0.35042(2) 0.10023(2) 0.02088(15) Uani 1 1 d . . . . .
Si19 Si 0.05020(4) 0.41682(2) 0.15184(2) 0.02105(15) Uani 1 1 d . . . . .
Si20 Si -0.06267(4) 0.45999(2) 0.17237(2) 0.02260(16) Uani 1 1 d . . . . .
C133 C 0.21441(19) 0.60673(11) 0.30830(10) 0.0376(7) Uani 1 1 d . . . . .
C134 C 0.2250(2) 0.64400(12) 0.29008(11) 0.0421(8) Uani 1 1 d . . . . .
C135 C 0.2938(2) 0.64698(15) 0.26762(13) 0.0585(10) Uani 1 1 d . . . . .
H135 H 0.300108 0.672083 0.255363 0.070 Uiso 1 1 calc R U . . .
C136 C 0.3530(2) 0.61511(18) 0.26241(14) 0.0696(12) Uani 1 1 d . . . . .
C137 C 0.3436(2) 0.58029(16) 0.28174(13) 0.0621(11) Uani 1 1 d . . . . .
H137 H 0.384312 0.558342 0.279128 0.075 Uiso 1 1 calc R U . . .
C138 C 0.2776(2) 0.57559(12) 0.30492(11) 0.0439(8) Uani 1 1 d . . . . .
C139 C 0.1632(2) 0.68051(11) 0.29197(11) 0.0434(8) Uani 1 1 d . . . . .
H139 H 0.123885 0.677183 0.313256 0.052 Uiso 1 1 calc R U . . .
C140 C 0.2054(3) 0.73121(13) 0.30838(13) 0.0654(11) Uani 1 1 d . . . . .
H14D H 0.246580 0.735832 0.335320 0.098 Uiso 1 1 calc R U . . .
H14E H 0.162272 0.752885 0.315314 0.098 Uiso 1 1 calc R U . . .
H14F H 0.234604 0.737462 0.285035 0.098 Uiso 1 1 calc R U . . .
C141 C 0.1097(2) 0.67152(12) 0.24624(11) 0.0492(9) Uani 1 1 d . . . . .
H14G H 0.146944 0.672530 0.224215 0.074 Uiso 1 1 calc R U . . .
H14H H 0.071040 0.695819 0.248026 0.074 Uiso 1 1 calc R U . . .
H14I H 0.076706 0.640437 0.237161 0.074 Uiso 1 1 calc R U . . .
C142 C 0.4272(3) 0.6197(3) 0.23752(19) 0.110(2) Uani 1 1 d . . . . .
H142 H 0.440342 0.586311 0.226714 0.132 Uiso 1 1 calc R U . . .
C143 C 0.4034(3) 0.62944(15) 0.19577(15) 0.0686(12) Uani 1 1 d . . . . .
H14J H 0.383050 0.660549 0.202020 0.103 Uiso 1 1 calc R U . . .
H14K H 0.358410 0.605371 0.176806 0.103 Uiso 1 1 calc R U . . .
H14L H 0.452880 0.628979 0.180340 0.103 Uiso 1 1 calc R U . . .
C144 C 0.5002(4) 0.6415(4) 0.2644(2) 0.222(6) Uani 1 1 d . . . . .
H14M H 0.541950 0.647574 0.246105 0.332 Uiso 1 1 calc R U . . .
H14N H 0.522140 0.621313 0.281402 0.332 Uiso 1 1 calc R U . . .
H14O H 0.489284 0.671435 0.285058 0.332 Uiso 1 1 calc R U . . .
C145 C 0.2763(2) 0.53615(12) 0.32546(13) 0.0525(9) Uani 1 1 d . . . . .
H145 H 0.234116 0.541971 0.346703 0.063 Uiso 1 1 calc R U . . .
C146 C 0.2479(3) 0.48851(15) 0.29054(16) 0.0798(13) Uani 1 1 d . . . . .
H14P H 0.192726 0.489439 0.273723 0.120 Uiso 1 1 calc R U . . .
H14Q H 0.243038 0.464254 0.305309 0.120 Uiso 1 1 calc R U . . .
H14R H 0.289610 0.481082 0.270035 0.120 Uiso 1 1 calc R U . . .
C147 C 0.3624(3) 0.53502(17) 0.35223(16) 0.0764(13) Uani 1 1 d . . . . .
H14S H 0.403007 0.524379 0.331651 0.115 Uiso 1 1 calc R U . . .
H14T H 0.356036 0.513268 0.369597 0.115 Uiso 1 1 calc R U . . .
H14U H 0.383055 0.566705 0.372534 0.115 Uiso 1 1 calc R U . . .
C148 C -0.1468(2) 0.58741(12) 0.38607(11) 0.0437(8) Uani 1 1 d . . . . .
C149 C -0.2234(2) 0.59990(15) 0.36720(14) 0.0650(11) Uani 1 1 d . . . . .
C150 C -0.2974(3) 0.5917(2) 0.3839(2) 0.107(2) Uani 1 1 d . . . . .
H150 H -0.349030 0.599066 0.370642 0.128 Uiso 1 1 calc R U . . .
C151 C -0.2994(3) 0.5738(3) 0.4180(2) 0.127(3) Uani 1 1 d . . . . .
C152 C -0.2251(3) 0.5625(2) 0.43690(15) 0.0925(17) Uani 1 1 d . . . . .
H152 H -0.226038 0.549694 0.460839 0.111 Uiso 1 1 calc R U . . .
C153 C -0.1479(2) 0.56925(14) 0.42193(11) 0.0549(10) Uani 1 1 d . . . . .
C154 C -0.2287(3) 0.62129(15) 0.33019(15) 0.0703(12) Uani 1 1 d . . . . .
H154 H -0.170213 0.635329 0.330104 0.084 Uiso 1 1 calc R U . . .
C155 C -0.2577(3) 0.58491(16) 0.28426(15) 0.0803(13) Uani 1 1 d . . . . .
H15D H -0.220172 0.559885 0.279555 0.120 Uiso 1 1 calc R U . . .
H15E H -0.255558 0.600212 0.261080 0.120 Uiso 1 1 calc R U . . .
H15F H -0.315877 0.571277 0.282673 0.120 Uiso 1 1 calc R U . . .
C156 C -0.2858(3) 0.6613(2) 0.3369(2) 0.129(3) Uani 1 1 d . . . . .
H15G H -0.344840 0.648322 0.334087 0.193 Uiso 1 1 calc R U . . .
H15H H -0.280623 0.677013 0.314194 0.193 Uiso 1 1 calc R U . . .
H15I H -0.268300 0.684234 0.366703 0.193 Uiso 1 1 calc R U . . .
C157 C -0.3842(6) 0.5672(4) 0.4364(3) 0.179(4) Uani 1 1 d D U . . .
HA57 H -0.428519 0.562471 0.409841 0.215 Uiso 0.742(12) 1 calc R U P C 1
HB57 H -0.371567 0.546747 0.455644 0.215 Uiso 0.258(12) 1 calc R U P C 2
C0A8 C -0.3958(7) 0.5225(5) 0.4467(5) 0.228(7) Uani 0.742(12) 1 d D U P C 1
H0A1 H -0.382088 0.496622 0.422028 0.343 Uiso 0.742(12) 1 calc R U P C 1
H0A2 H -0.358187 0.524713 0.474250 0.343 Uiso 0.742(12) 1 calc R U P C 1
H0A3 H -0.454803 0.516340 0.450606 0.343 Uiso 0.742(12) 1 calc R U P C 1
C0B8 C -0.4515(17) 0.5393(14) 0.4017(9) 0.215(8) Uani 0.258(12) 1 d D U P C 2
H0B1 H -0.430312 0.510809 0.383817 0.322 Uiso 0.258(12) 1 calc R U P C 2
H0B2 H -0.498928 0.530432 0.415336 0.322 Uiso 0.258(12) 1 calc R U P C 2
H0B3 H -0.470661 0.557865 0.382367 0.322 Uiso 0.258(12) 1 calc R U P C 2
C159 C -0.4001(7) 0.6113(4) 0.4673(4) 0.277(7) Uani 1 1 d D U . . .
H15J H -0.448230 0.605663 0.482045 0.416 Uiso 1 1 calc R U . . .
H15K H -0.413122 0.633570 0.450941 0.416 Uiso 1 1 calc R U . . .
H15L H -0.349686 0.624424 0.489842 0.416 Uiso 1 1 calc R U . . .
C160 C -0.0691(2) 0.55539(13) 0.44500(11) 0.0528(9) Uani 1 1 d . . . . .
H160 H -0.018431 0.569729 0.436217 0.063 Uiso 1 1 calc R U . . .
C161 C -0.0675(3) 0.50217(14) 0.42990(13) 0.0700(12) Uani 1 1 d . . . . .
H16A H -0.119777 0.486971 0.435063 0.105 Uiso 1 1 calc R U . . .
H16B H -0.018601 0.494186 0.446931 0.105 Uiso 1 1 calc R U . . .
H16C H -0.063159 0.491088 0.397982 0.105 Uiso 1 1 calc R U . . .
C162 C -0.0600(3) 0.57306(15) 0.49635(12) 0.0726(13) Uani 1 1 d . . . . .
H16D H -0.065465 0.606903 0.506459 0.109 Uiso 1 1 calc R U . . .
H16E H -0.004345 0.567424 0.509188 0.109 Uiso 1 1 calc R U . . .
H16F H -0.104532 0.556115 0.506096 0.109 Uiso 1 1 calc R U . . .
C163 C 0.0982(2) 0.71564(11) 0.40301(10) 0.0439(8) Uani 1 1 d . . . . .
C164 C 0.0402(3) 0.74278(11) 0.38809(11) 0.0541(10) Uani 1 1 d . . . . .
C165 C 0.0666(4) 0.78999(14) 0.39256(15) 0.0828(15) Uani 1 1 d . . . . .
H165 H 0.027266 0.807766 0.381677 0.099 Uiso 1 1 calc R U . . .
C166 C 0.1461(5) 0.81145(16) 0.41176(17) 0.105(2) Uani 1 1 d D . . . .
C167 C 0.2025(4) 0.78536(17) 0.42668(15) 0.0902(17) Uani 1 1 d . . . . .
H167 H 0.257551 0.800137 0.440794 0.108 Uiso 1 1 calc R U . . .
C168 C 0.1823(3) 0.73735(13) 0.42201(11) 0.0595(11) Uani 1 1 d . . . . .
C169 C -0.0503(3) 0.72416(12) 0.36700(12) 0.0534(9) Uani 1 1 d . . . . .
H169 H -0.062102 0.692481 0.370812 0.064 Uiso 1 1 calc R U . . .
C170 C -0.0639(3) 0.71750(14) 0.31719(13) 0.0635(11) Uani 1 1 d . . . . .
H17A H -0.051638 0.747927 0.312326 0.095 Uiso 1 1 calc R U . . .
H17B H -0.122808 0.704798 0.304508 0.095 Uiso 1 1 calc R U . . .
H17C H -0.025864 0.695473 0.302612 0.095 Uiso 1 1 calc R U . . .
C171 C -0.1137(3) 0.75569(16) 0.39013(16) 0.0855(15) Uani 1 1 d . . . . .
H17D H -0.103763 0.759918 0.422242 0.128 Uiso 1 1 calc R U . . .
H17E H -0.171620 0.740810 0.377561 0.128 Uiso 1 1 calc R U . . .
H17F H -0.106198 0.786455 0.385332 0.128 Uiso 1 1 calc R U . . .
C7A2 C 0.1921(7) 0.8596(3) 0.4110(3) 0.102(2) Uani 0.598(6) 1 d D U P D 1
H7A2 H 0.147033 0.874464 0.396988 0.122 Uiso 0.598(6) 1 calc R U P D 1
C7A3 C 0.2605(7) 0.8604(3) 0.3864(3) 0.112(3) Uani 0.598(6) 1 d D U P D 1
H7A1 H 0.243773 0.839161 0.355743 0.169 Uiso 0.598(6) 1 calc R U P D 1
H7A3 H 0.274647 0.892520 0.385722 0.169 Uiso 0.598(6) 1 calc R U P D 1
H7A4 H 0.310025 0.850024 0.400668 0.169 Uiso 0.598(6) 1 calc R U P D 1
C7A4 C 0.2135(8) 0.8897(3) 0.4553(3) 0.133(3) Uani 0.598(6) 1 d D U P D 1
H7A5 H 0.165382 0.888443 0.471376 0.199 Uiso 0.598(6) 1 calc R U P D 1
H7A6 H 0.262665 0.879585 0.470157 0.199 Uiso 0.598(6) 1 calc R U P D 1
H7A7 H 0.227287 0.922082 0.455211 0.199 Uiso 0.598(6) 1 calc R U P D 1
C7B2 C 0.1405(11) 0.8673(3) 0.4250(5) 0.106(3) Uani 0.402(6) 1 d D U P D 2
H7B2 H 0.190932 0.880943 0.448608 0.127 Uiso 0.402(6) 1 calc R U P D 2
C7B3 C 0.1639(13) 0.8783(6) 0.3877(5) 0.133(4) Uani 0.402(6) 1 d D U P D 2
H7B1 H 0.208243 0.859065 0.376255 0.199 Uiso 0.402(6) 1 calc R U P D 2
H7B3 H 0.114450 0.871692 0.364365 0.199 Uiso 0.402(6) 1 calc R U P D 2
H7B4 H 0.185503 0.911745 0.396575 0.199 Uiso 0.402(6) 1 calc R U P D 2
C7B4 C 0.0765(10) 0.8954(5) 0.4411(6) 0.133(5) Uani 0.402(6) 1 d D U P D 2
H7B5 H 0.059564 0.888076 0.467131 0.199 Uiso 0.402(6) 1 calc R U P D 2
H7B6 H 0.098304 0.928810 0.449799 0.199 Uiso 0.402(6) 1 calc R U P D 2
H7B7 H 0.027251 0.888757 0.417588 0.199 Uiso 0.402(6) 1 calc R U P D 2
C175 C 0.2509(3) 0.71279(15) 0.43881(12) 0.0655(12) Uani 1 1 d . . . . .
H175 H 0.227739 0.679045 0.431688 0.079 Uiso 1 1 calc R U . . .
C176 C 0.3302(3) 0.7133(2) 0.41599(16) 0.0960(17) Uani 1 1 d . . . . .
H17G H 0.314456 0.698191 0.383700 0.144 Uiso 1 1 calc R U . . .
H17H H 0.372226 0.696200 0.427878 0.144 Uiso 1 1 calc R U . . .
H17I H 0.354241 0.746011 0.421862 0.144 Uiso 1 1 calc R U . . .
C177 C 0.2744(3) 0.73301(17) 0.49018(14) 0.0856(15) Uani 1 1 d . . . . .
H17J H 0.296723 0.766314 0.498498 0.128 Uiso 1 1 calc R U . . .
H17K H 0.317638 0.715435 0.500527 0.128 Uiso 1 1 calc R U . . .
H17L H 0.223849 0.730100 0.504076 0.128 Uiso 1 1 calc R U . . .
C178 C 0.1008(2) 0.65135(11) 0.46125(10) 0.0392(7) Uani 1 1 d . . . . .
C179 C 0.1607(2) 0.62585(12) 0.47755(10) 0.0454(8) Uani 1 1 d . . . . .
C180 C 0.1744(3) 0.63048(13) 0.52300(11) 0.0545(9) Uani 1 1 d . . . . .
H180 H 0.214529 0.612686 0.533290 0.065 Uiso 1 1 calc R U . . .
C181 C 0.1324(3) 0.65964(13) 0.55347(11) 0.0589(10) Uani 1 1 d . . . . .
C182 C 0.0738(3) 0.68424(13) 0.53772(11) 0.0567(10) Uani 1 1 d . . . . .
H182 H 0.044215 0.704664 0.558350 0.068 Uiso 1 1 calc R U . . .
C183 C 0.0556(2) 0.68051(12) 0.49264(10) 0.0471(8) Uani 1 1 d . . . . .
C184 C 0.2125(2) 0.59243(14) 0.44805(12) 0.0568(10) Uani 1 1 d . . . . .
H184 H 0.201943 0.596014 0.417594 0.068 Uiso 1 1 calc R U . . .
C185 C 0.1841(3) 0.54123(15) 0.44348(14) 0.0745(13) Uani 1 1 d . . . . .
H18A H 0.195341 0.536392 0.472749 0.112 Uiso 1 1 calc R U . . .
H18B H 0.215444 0.520313 0.422573 0.112 Uiso 1 1 calc R U . . .
H18C H 0.123256 0.534142 0.432186 0.112 Uiso 1 1 calc R U . . .
C186 C 0.3082(3) 0.60374(19) 0.46465(15) 0.0843(14) Uani 1 1 d . . . . .
H18D H 0.325956 0.636480 0.467002 0.126 Uiso 1 1 calc R U . . .
H18E H 0.338760 0.582586 0.443501 0.126 Uiso 1 1 calc R U . . .
H18F H 0.320816 0.599361 0.494057 0.126 Uiso 1 1 calc R U . . .
C187 C 0.1505(3) 0.66485(15) 0.60329(12) 0.0713(12) Uani 1 1 d . U . . .
H187 H 0.103830 0.682207 0.616332 0.086 Uiso 1 1 calc R U . . .
C188 C 0.1384(6) 0.6195(2) 0.61061(18) 0.153(3) Uani 1 1 d . U . . .
H18G H 0.190602 0.604274 0.607590 0.229 Uiso 1 1 calc R U . . .
H18H H 0.091914 0.599542 0.588480 0.229 Uiso 1 1 calc R U . . .
H18I H 0.124579 0.624029 0.640720 0.229 Uiso 1 1 calc R U . . .
C189 C 0.2246(5) 0.6946(3) 0.62497(17) 0.164(4) Uani 1 1 d . U . . .
H18J H 0.223582 0.705315 0.657243 0.246 Uiso 1 1 calc R U . . .
H18K H 0.228184 0.721844 0.614052 0.246 Uiso 1 1 calc R U . . .
H18L H 0.273882 0.677339 0.618804 0.246 Uiso 1 1 calc R U . . .
C190 C -0.0110(3) 0.71015(12) 0.48038(11) 0.0541(10) Uani 1 1 d . . . . .
H190 H -0.018221 0.703069 0.447199 0.065 Uiso 1 1 calc R U . . .
C191 C -0.0977(3) 0.69746(16) 0.49231(14) 0.0738(13) Uani 1 1 d . . . . .
H19A H -0.092338 0.702223 0.524484 0.111 Uiso 1 1 calc R U . . .
H19B H -0.117936 0.664385 0.475846 0.111 Uiso 1 1 calc R U . . .
H19C H -0.138311 0.717676 0.484198 0.111 Uiso 1 1 calc R U . . .
C192 C 0.0185(3) 0.76277(13) 0.50117(14) 0.0776(14) Uani 1 1 d . . . . .
H19D H 0.029103 0.770731 0.533787 0.116 Uiso 1 1 calc R U . . .
H19E H -0.025477 0.780950 0.492592 0.116 Uiso 1 1 calc R U . . .
H19F H 0.070854 0.770389 0.490464 0.116 Uiso 1 1 calc R U . . .
C193 C 0.16582(16) 0.43766(9) 0.15310(9) 0.0241(6) Uani 1 1 d . . . . .
C194 C 0.22971(17) 0.41006(10) 0.16249(10) 0.0300(6) Uani 1 1 d . . . . .
C195 C 0.31438(18) 0.42548(11) 0.16401(11) 0.0380(7) Uani 1 1 d . . . . .
H195 H 0.356482 0.406791 0.170814 0.046 Uiso 1 1 calc R U . . .
C196 C 0.33978(18) 0.46681(11) 0.15604(11) 0.0387(7) Uani 1 1 d . . . . .
C197 C 0.27746(17) 0.49351(10) 0.14650(10) 0.0338(7) Uani 1 1 d . . . . .
H197 H 0.293627 0.521992 0.140772 0.041 Uiso 1 1 calc R U . . .
C198 C 0.19193(17) 0.48022(10) 0.14497(9) 0.0279(6) Uani 1 1 d . . . . .
C199 C 0.21013(17) 0.36367(10) 0.17152(10) 0.0328(7) Uani 1 1 d . . . . .
H199 H 0.147724 0.354221 0.162594 0.039 Uiso 1 1 calc R U . . .
C200 C 0.2547(2) 0.32377(11) 0.14433(12) 0.0431(8) Uani 1 1 d . . . . .
H20A H 0.243142 0.321386 0.112643 0.065 Uiso 1 1 calc R U . . .
H20B H 0.233706 0.293996 0.148277 0.065 Uiso 1 1 calc R U . . .
H20C H 0.315952 0.330313 0.154617 0.065 Uiso 1 1 calc R U . . .
C201 C 0.2311(2) 0.36944(11) 0.22109(11) 0.0422(8) Uani 1 1 d . . . . .
H20D H 0.290815 0.381785 0.231639 0.063 Uiso 1 1 calc R U . . .
H20E H 0.220561 0.338789 0.225781 0.063 Uiso 1 1 calc R U . . .
H20F H 0.195264 0.391465 0.237765 0.063 Uiso 1 1 calc R U . . .
C202 C 0.43148(19) 0.48136(13) 0.15389(13) 0.0502(9) Uani 1 1 d . . . . .
H202 H 0.436258 0.515167 0.154963 0.060 Uiso 1 1 calc R U . . .
C203 C 0.4930(2) 0.47756(14) 0.19293(14) 0.0562(10) Uani 1 1 d . . . . .
H20G H 0.473359 0.493697 0.221050 0.084 Uiso 1 1 calc R U . . .
H20H H 0.549389 0.492260 0.192529 0.084 Uiso 1 1 calc R U . . .
H20I H 0.495824 0.444268 0.190353 0.084 Uiso 1 1 calc R U . . .
C204 C 0.4542(2) 0.45262(17) 0.10923(14) 0.0686(12) Uani 1 1 d . . . . .
H20J H 0.451690 0.419315 0.107524 0.103 Uiso 1 1 calc R U . . .
H20K H 0.511690 0.463910 0.106590 0.103 Uiso 1 1 calc R U . . .
H20L H 0.413959 0.456140 0.084842 0.103 Uiso 1 1 calc R U . . .
C205 C 0.12957(17) 0.51312(10) 0.13562(10) 0.0319(7) Uani 1 1 d . . . . .
H205 H 0.072053 0.494829 0.126274 0.038 Uiso 1 1 calc R U . . .
C206 C 0.1481(2) 0.53268(14) 0.09831(14) 0.0582(10) Uani 1 1 d . . . . .
H20M H 0.199170 0.555399 0.108682 0.087 Uiso 1 1 calc R U . . .
H20N H 0.100012 0.548409 0.089885 0.087 Uiso 1 1 calc R U . . .
H20O H 0.157109 0.506821 0.072340 0.087 Uiso 1 1 calc R U . . .
C207 C 0.1265(2) 0.55365(12) 0.17766(13) 0.0575(10) Uani 1 1 d . . . . .
H20P H 0.114642 0.541114 0.201720 0.086 Uiso 1 1 calc R U . . .
H20Q H 0.081742 0.572690 0.171774 0.086 Uiso 1 1 calc R U . . .
H20R H 0.181237 0.573321 0.186617 0.086 Uiso 1 1 calc R U . . .
C208 C -0.22724(15) 0.36198(9) 0.16152(8) 0.0218(5) Uani 1 1 d . . . . .
C209 C -0.29299(16) 0.37607(9) 0.13595(9) 0.0240(6) Uani 1 1 d . . . . .
C210 C -0.37720(17) 0.36459(10) 0.13948(9) 0.0275(6) Uani 1 1 d . . . . .
H210 H -0.420650 0.374730 0.122438 0.033 Uiso 1 1 calc R U . . .
C211 C -0.39986(16) 0.33914(10) 0.16670(9) 0.0279(6) Uani 1 1 d . . . . .
C212 C -0.33540(17) 0.32423(10) 0.19061(9) 0.0301(6) Uani 1 1 d . . . . .
H212 H -0.349931 0.306396 0.209350 0.036 Uiso 1 1 calc R U . . .
C213 C -0.25042(16) 0.33422(9) 0.18840(9) 0.0256(6) Uani 1 1 d . . . . .
C214 C -0.27585(17) 0.40476(10) 0.10489(9) 0.0295(6) Uani 1 1 d . . . . .
H214 H -0.215056 0.403587 0.100666 0.035 Uiso 1 1 calc R U . . .
C215 C -0.28836(19) 0.45611(11) 0.12623(12) 0.0415(8) Uani 1 1 d . . . . .
H21A H -0.346982 0.458276 0.131917 0.062 Uiso 1 1 calc R U . . .
H21B H -0.276575 0.474056 0.106024 0.062 Uiso 1 1 calc R U . . .
H21C H -0.249585 0.469095 0.154517 0.062 Uiso 1 1 calc R U . . .
C216 C -0.3300(2) 0.38501(13) 0.05857(10) 0.0448(8) Uani 1 1 d . . . . .
H21D H -0.389679 0.388484 0.061320 0.067 Uiso 1 1 calc R U . . .
H21E H -0.323205 0.351566 0.045766 0.067 Uiso 1 1 calc R U . . .
H21F H -0.311622 0.402358 0.039021 0.067 Uiso 1 1 calc R U . . .
C217 C -0.49224(16) 0.32717(10) 0.16993(10) 0.0313(6) Uani 1 1 d . . . . .
H217 H -0.527634 0.341932 0.150704 0.038 Uiso 1 1 calc R U . . .
C218 C -0.51050(19) 0.34752(11) 0.21773(11) 0.0406(8) Uani 1 1 d . . . . .
H21G H -0.477180 0.333284 0.237303 0.061 Uiso 1 1 calc R U . . .
H21H H -0.570977 0.340594 0.218397 0.061 Uiso 1 1 calc R U . . .
H21I H -0.495028 0.381726 0.228136 0.061 Uiso 1 1 calc R U . . .
C219 C -0.51837(19) 0.27424(11) 0.15244(12) 0.0427(8) Uani 1 1 d . . . . .
H21J H -0.504865 0.261631 0.122119 0.064 Uiso 1 1 calc R U . . .
H21K H -0.579459 0.267936 0.151918 0.064 Uiso 1 1 calc R U . . .
H21L H -0.487603 0.259056 0.172021 0.064 Uiso 1 1 calc R U . . .
C220 C -0.18449(17) 0.31654(10) 0.21636(9) 0.0294(6) Uani 1 1 d . . . . .
H220 H -0.131191 0.315830 0.202862 0.035 Uiso 1 1 calc R U . . .
C221 C -0.1647(2) 0.34974(13) 0.26394(10) 0.0474(9) Uani 1 1 d . . . . .
H22A H -0.144538 0.381275 0.263615 0.071 Uiso 1 1 calc R U . . .
H22B H -0.120664 0.338140 0.280947 0.071 Uiso 1 1 calc R U . . .
H22C H -0.216034 0.351252 0.277971 0.071 Uiso 1 1 calc R U . . .
C222 C -0.2111(2) 0.26668(12) 0.21661(13) 0.0498(9) Uani 1 1 d . . . . .
H22D H -0.256076 0.267449 0.235037 0.075 Uiso 1 1 calc R U . . .
H22E H -0.162207 0.254117 0.228975 0.075 Uiso 1 1 calc R U . . .
H22F H -0.232046 0.246483 0.185992 0.075 Uiso 1 1 calc R U . . .
C223 C -0.10360(17) 0.34520(9) 0.04416(9) 0.0250(6) Uani 1 1 d . . . . .
C224 C -0.10014(17) 0.37864(10) 0.02072(9) 0.0273(6) Uani 1 1 d . . . . .
C225 C -0.1524(2) 0.37023(11) -0.01992(10) 0.0390(7) Uani 1 1 d . . . . .
H225 H -0.149494 0.393209 -0.034948 0.047 Uiso 1 1 calc R U . . .
C226 C -0.2084(2) 0.32992(13) -0.03932(11) 0.0516(9) Uani 1 1 d . . . . .
C227 C -0.2121(2) 0.29792(12) -0.01650(11) 0.0472(9) Uani 1 1 d . . . . .
H227 H -0.250442 0.270030 -0.029206 0.057 Uiso 1 1 calc R U . . .
C228 C -0.16205(19) 0.30429(10) 0.02459(10) 0.0330(7) Uani 1 1 d . . . . .
C229 C -0.04185(18) 0.42439(10) 0.03762(9) 0.0287(6) Uani 1 1 d . . . . .
H229 H -0.003657 0.423990 0.064909 0.034 Uiso 1 1 calc R U . . .
C230 C -0.0928(2) 0.46637(11) 0.05105(11) 0.0424(8) Uani 1 1 d . . . . .
H23D H -0.131670 0.467168 0.024944 0.064 Uiso 1 1 calc R U . . .
H23E H -0.054014 0.495602 0.062422 0.064 Uiso 1 1 calc R U . . .
H23F H -0.125331 0.463295 0.074390 0.064 Uiso 1 1 calc R U . . .
C231 C 0.0137(2) 0.43112(12) 0.00378(11) 0.0409(7) Uani 1 1 d . . . . .
H23G H 0.048992 0.405164 -0.003551 0.061 Uiso 1 1 calc R U . . .
H23H H 0.050207 0.461093 0.016589 0.061 Uiso 1 1 calc R U . . .
H23I H -0.022294 0.431424 -0.023432 0.061 Uiso 1 1 calc R U . . .
C232 C -0.2652(3) 0.32236(16) -0.08416(14) 0.0810(16) Uani 1 1 d . . . . .
H232 H -0.302193 0.291927 -0.091280 0.097 Uiso 1 1 calc R U . . .
C233 C -0.2131(4) 0.3179(2) -0.12136(14) 0.108(2) Uani 1 1 d . . . . .
H23J H -0.176549 0.347402 -0.115489 0.162 Uiso 1 1 calc R U . . .
H23K H -0.250855 0.311286 -0.149801 0.162 Uiso 1 1 calc R U . . .
H23L H -0.177932 0.292048 -0.122948 0.162 Uiso 1 1 calc R U . . .
C234 C -0.3232(3) 0.3615(2) -0.08053(16) 0.0935(17) Uani 1 1 d . . . . .
H23M H -0.288631 0.391852 -0.073396 0.140 Uiso 1 1 calc R U . . .
H23N H -0.357422 0.362324 -0.056839 0.140 Uiso 1 1 calc R U . . .
H23O H -0.360565 0.355262 -0.109033 0.140 Uiso 1 1 calc R U . . .
C235 C -0.1731(2) 0.26512(10) 0.04560(10) 0.0372(7) Uani 1 1 d . . . . .
H235 H -0.136021 0.275431 0.075356 0.045 Uiso 1 1 calc R U . . .
C236 C -0.2642(2) 0.25603(12) 0.05363(12) 0.0506(9) Uani 1 1 d . . . . .
H23P H -0.281536 0.285264 0.072506 0.076 Uiso 1 1 calc R U . . .
H23Q H -0.267365 0.231863 0.068601 0.076 Uiso 1 1 calc R U . . .
H23R H -0.302135 0.245153 0.024940 0.076 Uiso 1 1 calc R U . . .
C237 C -0.1432(3) 0.21979(11) 0.01725(12) 0.0537(9) Uani 1 1 d . . . . .
H23S H -0.178837 0.208548 -0.012122 0.081 Uiso 1 1 calc R U . . .
H23T H -0.147434 0.195662 0.032210 0.081 Uiso 1 1 calc R U . . .
H23U H -0.084132 0.226125 0.013503 0.081 Uiso 1 1 calc R U . . .
C238 C 0.02786(17) 0.29618(9) 0.08654(9) 0.0260(6) Uani 1 1 d . . . . .
C239 C 0.07858(18) 0.29097(10) 0.05238(9) 0.0316(6) Uani 1 1 d . . . . .
C240 C 0.1251(2) 0.25251(11) 0.04092(10) 0.0383(7) Uani 1 1 d . . . . .
H240 H 0.157210 0.249205 0.017162 0.046 Uiso 1 1 calc R U . . .
C241 C 0.1261(2) 0.21903(10) 0.06283(10) 0.0373(7) Uani 1 1 d . . . . .
C242 C 0.07816(19) 0.22466(10) 0.09685(10) 0.0353(7) Uani 1 1 d . . . . .
H242 H 0.079189 0.202547 0.112922 0.042 Uiso 1 1 calc R U . . .
C243 C 0.02806(17) 0.26165(9) 0.10867(9) 0.0280(6) Uani 1 1 d . . . . .
C244 C 0.0861(2) 0.32533(11) 0.02566(10) 0.0393(8) Uani 1 1 d . . . . .
H244 H 0.051922 0.351564 0.038230 0.047 Uiso 1 1 calc R U . . .
C245 C 0.1771(2) 0.34739(14) 0.03029(15) 0.0611(11) Uani 1 1 d . . . . .
H24D H 0.199455 0.362717 0.061981 0.092 Uiso 1 1 calc R U . . .
H24E H 0.177995 0.370837 0.014428 0.092 Uiso 1 1 calc R U . . .
H24F H 0.212330 0.322770 0.017437 0.092 Uiso 1 1 calc R U . . .
C246 C 0.0468(3) 0.30146(13) -0.02351(11) 0.0604(11) Uani 1 1 d . . . . .
H24G H 0.079355 0.275813 -0.037157 0.091 Uiso 1 1 calc R U . . .
H24H H 0.047853 0.324667 -0.039632 0.091 Uiso 1 1 calc R U . . .
H24I H -0.011994 0.288687 -0.025069 0.091 Uiso 1 1 calc R U . . .
C247 C 0.1804(2) 0.17879(12) 0.04999(12) 0.0507(9) Uani 1 1 d . . . . .
H247 H 0.184224 0.172121 0.017525 0.061 Uiso 1 1 calc R U . . .
C248 C 0.1436(3) 0.13389(14) 0.0557(2) 0.0982(18) Uani 1 1 d . . . . .
H24J H 0.179050 0.108810 0.044439 0.147 Uiso 1 1 calc R U . . .
H24K H 0.086104 0.124950 0.038967 0.147 Uiso 1 1 calc R U . . .
H24L H 0.141744 0.138592 0.087469 0.147 Uiso 1 1 calc R U . . .
C249 C 0.2690(3) 0.19268(16) 0.0749(2) 0.0959(17) Uani 1 1 d . . . . .
H24M H 0.293249 0.221228 0.069829 0.144 Uiso 1 1 calc R U . . .
H24N H 0.303743 0.167071 0.064247 0.144 Uiso 1 1 calc R U . . .
H24O H 0.267955 0.198818 0.106935 0.144 Uiso 1 1 calc R U . . .
C250 C -0.02408(18) 0.26187(10) 0.14562(9) 0.0314(6) Uani 1 1 d . . . . .
H250 H -0.063861 0.286410 0.146818 0.038 Uiso 1 1 calc R U . . .
C251 C -0.0777(2) 0.21449(12) 0.13627(12) 0.0525(9) Uani 1 1 d . . . . .
H25A H -0.040217 0.189936 0.136282 0.079 Uiso 1 1 calc R U . . .
H25B H -0.113410 0.206403 0.107047 0.079 Uiso 1 1 calc R U . . .
H25C H -0.113600 0.216864 0.159514 0.079 Uiso 1 1 calc R U . . .
C252 C 0.0318(2) 0.27527(12) 0.19095(10) 0.0437(8) Uani 1 1 d . . . . .
H25D H 0.073547 0.252729 0.190278 0.066 Uiso 1 1 calc R U . . .
H25E H -0.003447 0.274714 0.213957 0.066 Uiso 1 1 calc R U . . .
H25F H 0.061146 0.307017 0.197809 0.066 Uiso 1 1 calc R U . . .
Li5 Li 0.0520(4) 0.44093(19) 0.30459(17) 0.0448(14) Uani 1 1 d . . . . .
Li6 Li -0.0984(3) 0.48225(19) 0.26131(17) 0.0375(12) Uani 1 1 d . . . . .
Li7 Li -0.0852(4) 0.55034(18) 0.20538(17) 0.0433(13) Uani 1 1 d . . . . .
Li8 Li 0.0504(3) 0.50522(18) 0.24730(17) 0.0368(11) Uani 1 1 d . . . . .
O4 O 0.08835(18) 0.40138(8) 0.33723(7) 0.0566(7) Uani 1 1 d . . . . .
O5 O -0.20410(13) 0.46732(8) 0.27679(7) 0.0402(5) Uani 1 1 d . . . . .
O6 O -0.12120(17) 0.58934(8) 0.17225(7) 0.0534(6) Uani 1 1 d . . . . .
C253 C 0.1167(5) 0.41347(16) 0.38352(14) 0.123(3) Uani 1 1 d . . . . .
H25G H 0.075666 0.431393 0.400782 0.148 Uiso 1 1 calc R U . . .
H25H H 0.172440 0.432831 0.391726 0.148 Uiso 1 1 calc R U . . .
C254 C 0.1235(6) 0.3674(2) 0.39247(18) 0.150(3) Uani 1 1 d . . . . .
H25I H 0.180492 0.367078 0.408531 0.180 Uiso 1 1 calc R U . . .
H25J H 0.080624 0.362159 0.410928 0.180 Uiso 1 1 calc R U . . .
C255 C 0.1097(7) 0.3331(2) 0.3515(2) 0.186(5) Uani 1 1 d . . . . .
H25K H 0.160100 0.315761 0.347429 0.223 Uiso 1 1 calc R U . . .
H25L H 0.060717 0.310331 0.350140 0.223 Uiso 1 1 calc R U . . .
C256 C 0.0939(4) 0.35292(15) 0.31811(15) 0.0973(19) Uani 1 1 d . . . . .
H25M H 0.040136 0.337495 0.298505 0.117 Uiso 1 1 calc R U . . .
H25N H 0.140155 0.348404 0.299730 0.117 Uiso 1 1 calc R U . . .
C257 C -0.2085(2) 0.46682(14) 0.32211(11) 0.0523(9) Uani 1 1 d . . . . .
H25O H -0.192884 0.498822 0.343748 0.063 Uiso 1 1 calc R U . . .
H25P H -0.169919 0.445300 0.330316 0.063 Uiso 1 1 calc R U . . .
C258 C -0.2994(3) 0.4496(2) 0.32149(17) 0.0897(16) Uani 1 1 d . . . . .
H25Q H -0.306745 0.415056 0.315445 0.108 Uiso 1 1 calc R U . . .
H25R H -0.318247 0.465040 0.350409 0.108 Uiso 1 1 calc R U . . .
C259 C -0.3470(3) 0.46258(19) 0.28552(16) 0.0809(14) Uani 1 1 d . . . . .
H25S H -0.360498 0.495496 0.296273 0.097 Uiso 1 1 calc R U . . .
H25T H -0.400393 0.441392 0.273048 0.097 Uiso 1 1 calc R U . . .
C260 C -0.2886(2) 0.45709(13) 0.25131(11) 0.0500(9) Uani 1 1 d . . . . .
H26D H -0.297261 0.424603 0.230212 0.060 Uiso 1 1 calc R U . . .
H26E H -0.298239 0.479461 0.234200 0.060 Uiso 1 1 calc R U . . .
C261 C -0.1351(5) 0.57501(16) 0.12492(14) 0.117(2) Uani 1 1 d . . . . .
H26F H -0.195820 0.564163 0.113401 0.141 Uiso 1 1 calc R U . . .
H26G H -0.101627 0.548763 0.112780 0.141 Uiso 1 1 calc R U . . .
C262 C -0.1083(4) 0.6163(2) 0.11131(17) 0.110(2) Uani 1 1 d . . . . .
H26H H -0.157699 0.627328 0.096880 0.132 Uiso 1 1 calc R U . . .
H26I H -0.067022 0.608333 0.090154 0.132 Uiso 1 1 calc R U . . .
C263 C -0.0685(3) 0.65322(16) 0.15359(16) 0.0728(12) Uani 1 1 d . . . . .
H26J H -0.006417 0.652309 0.159048 0.087 Uiso 1 1 calc R U . . .
H26K H -0.079975 0.685090 0.152955 0.087 Uiso 1 1 calc R U . . .
C264 C -0.1101(3) 0.64002(12) 0.18761(13) 0.0549(10) Uani 1 1 d . . . . .
H26L H -0.074087 0.652077 0.217261 0.066 Uiso 1 1 calc R U . . .
H26M H -0.165447 0.652721 0.189804 0.066 Uiso 1 1 calc R U . . .
C1_1 C 1.1264(7) -0.0894(4) 0.0292(4) 0.233(5) Uiso 1 1 d D U . . .
H1A_1 H 1.186953 -0.088383 0.026965 0.349 Uiso 1 1 calc R U . . .
H1B_1 H 1.110870 -0.113195 0.043157 0.349 Uiso 1 1 calc R U . . .
H1C_1 H 1.093397 -0.097440 -0.000737 0.349 Uiso 1 1 calc R U . . .
C2_1 C 1.1079(6) -0.0422(4) 0.0571(4) 0.218(4) Uiso 1 1 d D U . . .
H2A_1 H 1.142611 -0.033991 0.086981 0.261 Uiso 1 1 calc R U . . .
H2B_1 H 1.125155 -0.018251 0.043129 0.261 Uiso 1 1 calc R U . . .
C3_1 C 1.0202(6) -0.0401(3) 0.0623(3) 0.199(4) Uiso 1 1 d D U . . .
H3A_1 H 1.001098 -0.067896 0.070836 0.238 Uiso 1 1 calc R U . . .
H3B_1 H 0.987473 -0.043398 0.032764 0.238 Uiso 1 1 calc R U . . .
C4_1 C 0.9971(9) 0.0026(4) 0.0953(4) 0.283(6) Uiso 1 1 d D U . . .
H4A_1 H 0.948306 -0.006685 0.108330 0.340 Uiso 1 1 calc R U . . .
H4B_1 H 1.045351 0.015432 0.119833 0.340 Uiso 1 1 calc R U . . .
C5_1 C 0.9764(8) 0.0377(4) 0.0772(4) 0.252(6) Uiso 1 1 d D U . . .
H5A_1 H 0.937748 0.021888 0.048932 0.302 Uiso 1 1 calc R U . . .
H5B_1 H 1.029309 0.049281 0.068821 0.302 Uiso 1 1 calc R U . . .
C6_1 C 0.9381(6) 0.0800(3) 0.1001(3) 0.178(3) Uiso 1 1 d D U . . .
H6A_1 H 0.929504 0.099463 0.080334 0.267 Uiso 1 1 calc R U . . .
H6B_1 H 0.883346 0.070500 0.107462 0.267 Uiso 1 1 calc R U . . .
H6C_1 H 0.975820 0.098166 0.127550 0.267 Uiso 1 1 calc R U . . .
C7_2 C 0.3230(7) 0.5033(4) 1.0129(3) 0.210(4) Uiso 1 1 d D U . . .
H7A_2 H 0.290288 0.500510 1.036250 0.315 Uiso 1 1 calc R U . . .
H7B_2 H 0.378033 0.521628 1.026758 0.315 Uiso 1 1 calc R U . . .
H7C_2 H 0.291930 0.519308 0.994195 0.315 Uiso 1 1 calc R U . . .
C8_2 C 0.3364(9) 0.4560(4) 0.9851(5) 0.306(7) Uiso 1 1 d D U . . .
H8A_2 H 0.281247 0.437087 0.970935 0.367 Uiso 1 1 calc R U . . .
H8B_2 H 0.367697 0.439416 1.003630 0.367 Uiso 1 1 calc R U . . .
C9_2 C 0.3863(8) 0.4620(4) 0.9502(4) 0.232(5) Uiso 1 1 d D U . . .
H9A_2 H 0.348740 0.470251 0.927093 0.278 Uiso 1 1 calc R U . . .
H9B_2 H 0.431813 0.488351 0.963950 0.278 Uiso 1 1 calc R U . . .
C10_2 C 0.4243(9) 0.4191(5) 0.9288(4) 0.307(7) Uiso 1 1 d D U . . .
H10A_2 H 0.484180 0.423186 0.943003 0.369 Uiso 1 1 calc R U . . .
H10B_2 H 0.395146 0.392546 0.935827 0.369 Uiso 1 1 calc R U . . .
C11_2 C 0.4228(7) 0.4055(4) 0.8820(4) 0.233(5) Uiso 1 1 d D U . . .
H11A_2 H 0.421593 0.370841 0.873751 0.280 Uiso 1 1 calc R U . . .
H11B_2 H 0.480822 0.416937 0.879311 0.280 Uiso 1 1 calc R U . . .
C12_2 C 0.3720(5) 0.4118(3) 0.8434(3) 0.167(3) Uiso 1 1 d D U . . .
H12A_2 H 0.394779 0.395644 0.816282 0.250 Uiso 1 1 calc R U . . .
H12B_2 H 0.313275 0.398534 0.841108 0.250 Uiso 1 1 calc R U . . .
H12C_2 H 0.373626 0.445504 0.846773 0.250 Uiso 1 1 calc R U . . .
C13_3 C -0.0089(9) 1.0431(5) 0.5974(5) 0.137(5) Uiso 0.5 1 d . . P . .
H13A_3 H 0.001174 1.037167 0.626219 0.206 Uiso 0.5 1 calc R U P . .
H13B_3 H 0.027703 1.071187 0.598578 0.206 Uiso 0.5 1 calc R U P . .
H13C_3 H -0.068412 1.048171 0.591006 0.206 Uiso 0.5 1 calc R U P . .
C14_3 C 0.0097(8) 1.0033(4) 0.5629(4) 0.108(4) Uiso 0.5 1 d . . P . .
H14A_3 H -0.027040 0.974575 0.561014 0.130 Uiso 0.5 1 calc R U P . .
H14B_3 H 0.069671 0.997734 0.568633 0.130 Uiso 0.5 1 calc R U P . .
C15_3 C -0.0095(9) 1.0173(4) 0.5165(4) 0.112(4) Uiso 0.5 1 d . . P . .
H15A_3 H -0.070050 1.021919 0.510614 0.134 Uiso 0.5 1 calc R U P . .
H15B_3 H 0.025251 1.047035 0.519348 0.134 Uiso 0.5 1 calc R U P . .
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'
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
Si2 Si1 Si4 73.83(4) .
Si2 Si1 Si5 57.24(3) .
Si4 Si1 Si5 56.97(3) .
Si2 Si1 Li1 145.53(16) .
Si4 Si1 Li1 138.49(15) .
Si5 Si1 Li1 123.05(14) .
Si2 Si1 Li4 117.72(12) .
Si4 Si1 Li4 80.21(12) .
Si5 Si1 Li4 61.03(11) .
Li1 Si1 Li4 69.30(18) .
Si2 Si1 Li2 90.13(11) .
Si4 Si1 Li2 115.05(13) .
Si5 Si1 Li2 61.51(12) .
Li1 Si1 Li2 67.04(18) .
Li4 Si1 Li2 52.59(15) .
C16 Si2 Si1 128.84(11) .
C16 Si2 Si3 127.40(10) .
Si1 Si2 Si3 97.84(4) .
C16 Si2 Si5 122.63(11) .
Si1 Si2 Si5 66.59(4) .
Si3 Si2 Si5 95.08(4) .
C16 Si2 Si4 175.27(12) .
Si1 Si2 Si4 53.39(3) .
Si3 Si2 Si4 53.31(3) .
Si5 Si2 Si4 53.38(3) .
C46 Si3 C31 104.02(12) .
C46 Si3 Si4 129.99(10) .
C31 Si3 Si4 110.37(8) .
C46 Si3 Si2 110.08(9) .
C31 Si3 Si2 129.90(10) .
Si4 Si3 Si2 73.29(3) .
C1 Si4 Si1 123.58(10) .
C1 Si4 Si3 123.57(9) .
Si1 Si4 Si3 97.40(4) .
C1 Si4 Si5 134.16(10) .
Si1 Si4 Si5 66.33(4) .
Si3 Si4 Si5 95.21(4) .
C1 Si4 Si2 171.41(11) .
Si1 Si4 Si2 52.78(3) .
Si3 Si4 Si2 53.40(3) .
Si5 Si4 Si2 53.45(3) .
Si4 Si5 Si2 73.17(4) .
Si4 Si5 Si1 56.70(3) .
Si2 Si5 Si1 56.17(3) .
Si4 Si5 Li3 133.37(14) .
Si2 Si5 Li3 152.43(15) .
Si1 Si5 Li3 126.51(12) .
Si4 Si5 Li4 81.08(11) .
Si2 Si5 Li4 118.50(13) .
Si1 Si5 Li4 62.88(12) .
Li3 Si5 Li4 67.86(17) .
Si4 Si5 Li2 119.86(13) .
Si2 Si5 Li2 92.93(13) .
Si1 Si5 Li2 66.92(13) .
Li3 Si5 Li2 68.42(19) .
Li4 Si5 Li2 54.57(15) .
Si9 Si6 Si7 73.33(4) .
Si9 Si6 Si10 57.12(3) .
Si7 Si6 Si10 55.85(3) .
Si9 Si6 Li1 134.39(15) .
Si7 Si6 Li1 151.54(15) .
Si10 Si6 Li1 127.61(13) .
Si9 Si6 Li4 81.33(12) .
Si7 Si6 Li4 117.46(13) .
Si10 Si6 Li4 62.24(12) .
Li1 Si6 Li4 69.68(18) .
Si9 Si6 Li2 120.40(14) .
Si7 Si6 Li2 91.70(13) .
Si10 Si6 Li2 66.68(14) .
Li1 Si6 Li2 69.50(19) .
Li4 Si6 Li2 54.91(15) .
C76 Si7 Si10 130.78(10) .
C76 Si7 Si8 125.61(10) .
Si10 Si7 Si8 98.35(4) .
C76 Si7 Si6 122.53(12) .
Si10 Si7 Si6 66.72(4) .
Si8 Si7 Si6 94.79(4) .
C76 Si7 Si9 173.44(13) .
Si10 Si7 Si9 53.76(3) .
Si8 Si7 Si9 53.46(3) .
Si6 Si7 Si9 53.04(3) .
C91 Si8 C106 103.41(12) .
C91 Si8 Si7 130.97(9) .
C106 Si8 Si7 109.82(9) .
C91 Si8 Si9 110.63(9) .
C106 Si8 Si9 129.81(11) .
Si7 Si8 Si9 73.39(3) .
C61 Si9 Si6 131.75(9) .
C61 Si9 Si8 128.67(9) .
Si6 Si9 Si8 95.02(4) .
C61 Si9 Si10 118.42(9) .
Si6 Si9 Si10 66.37(4) .
Si8 Si9 Si10 96.95(4) .
C61 Si9 Si7 168.93(10) .
Si6 Si9 Si7 53.64(3) .
Si8 Si9 Si7 53.14(3) .
Si10 Si9 Si7 52.44(3) .
Si7 Si10 Si9 73.79(4) .
Si7 Si10 Si6 57.43(4) .
Si9 Si10 Si6 56.51(3) .
Si7 Si10 Li3 145.33(15) .
Si9 Si10 Li3 138.10(14) .
Si6 Si10 Li3 121.85(13) .
Si7 Si10 Li4 118.25(13) .
Si9 Si10 Li4 80.62(11) .
Si6 Si10 Li4 61.47(12) .
Li3 Si10 Li4 67.55(16) .
Si7 Si10 Li2 89.09(12) .
Si9 Si10 Li2 114.54(12) .
Si6 Si10 Li2 61.07(12) .
Li3 Si10 Li2 66.89(18) .
Li4 Si10 Li2 53.09(15) .
C2 C1 C6 118.5(3) .
C2 C1 Si4 122.1(2) .
C6 C1 Si4 119.1(2) .
C3 C2 C1 120.1(3) .
C3 C2 C7 118.6(3) .
C1 C2 C7 121.3(3) .
C4 C3 C2 121.7(4) .
C4 C3 H3 119.2 .
C2 C3 H3 119.2 .
C5 C4 C3 118.6(3) .
C5 C4 C10 121.4(4) .
C3 C4 C10 119.7(5) .
C4 C5 C6 122.3(4) .
C4 C5 H5 118.8 .
C6 C5 H5 118.8 .
C5 C6 C1 118.5(4) .
C5 C6 C13 118.6(3) .
C1 C6 C13 122.8(3) .
C2 C7 C8 108.9(3) .
C2 C7 C9 114.6(3) .
C8 C7 C9 110.4(4) .
C2 C7 H7 107.5 .
C8 C7 H7 107.5 .
C9 C7 H7 107.5 .
C7 C8 H8A 109.5 .
C7 C8 H8B 109.5 .
H8A C8 H8B 109.5 .
C7 C8 H8C 109.5 .
H8A C8 H8C 109.5 .
H8B C8 H8C 109.5 .
C7 C9 H9A 109.5 .
C7 C9 H9B 109.5 .
H9A C9 H9B 109.5 .
C7 C9 H9C 109.5 .
H9A C9 H9C 109.5 .
H9B C9 H9C 109.5 .
C11 C10 C12 117.1(5) .
C11 C10 C4 115.5(5) .
C12 C10 C4 109.5(4) .
C11 C10 H10 104.4 .
C12 C10 H10 104.4 .
C4 C10 H10 104.4 .
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 .
C10 C12 H12A 109.5 .
C10 C12 H12B 109.5 .
H12A C12 H12B 109.5 .
C10 C12 H12C 109.5 .
H12A C12 H12C 109.5 .
H12B C12 H12C 109.5 .
C6 C13 C14 111.2(3) .
C6 C13 C15 112.9(3) .
C14 C13 C15 109.4(3) .
C6 C13 H13 107.7 .
C14 C13 H13 107.7 .
C15 C13 H13 107.7 .
C13 C14 H14A 109.5 .
C13 C14 H14B 109.5 .
H14A C14 H14B 109.5 .
C13 C14 H14C 109.5 .
H14A C14 H14C 109.5 .
H14B C14 H14C 109.5 .
C13 C15 H15A 109.5 .
C13 C15 H15B 109.5 .
H15A C15 H15B 109.5 .
C13 C15 H15C 109.5 .
H15A C15 H15C 109.5 .
H15B C15 H15C 109.5 .
C21 C16 C17 117.9(3) .
C21 C16 Si2 119.9(3) .
C17 C16 Si2 122.2(3) .
C18 C17 C16 119.4(4) .
C18 C17 C22 117.9(4) .
C16 C17 C22 122.7(3) .
C19 C18 C17 123.4(4) .
C19 C18 H18 118.3 .
C17 C18 H18 118.3 .
C18 C19 C20 117.3(4) .
C18 C19 C25 119.3(5) .
C20 C19 C25 123.3(5) .
C19 C20 C21 122.1(4) .
C19 C20 H20 118.9 .
C21 C20 H20 118.9 .
C20 C21 C16 119.7(4) .
C20 C21 C28 117.9(4) .
C16 C21 C28 122.3(3) .
C17 C22 C23 111.8(3) .
C17 C22 C24 113.0(4) .
C23 C22 C24 109.8(4) .
C17 C22 H22 107.3 .
C23 C22 H22 107.3 .
C24 C22 H22 107.3 .
C22 C23 H23A 109.5 .
C22 C23 H23B 109.5 .
H23A C23 H23B 109.5 .
C22 C23 H23C 109.5 .
H23A C23 H23C 109.5 .
H23B C23 H23C 109.5 .
C22 C24 H24A 109.5 .
C22 C24 H24B 109.5 .
H24A C24 H24B 109.5 .
C22 C24 H24C 109.5 .
H24A C24 H24C 109.5 .
H24B C24 H24C 109.5 .
C26 C25 C27 110.4(4) .
C26 C25 C19 113.3(5) .
C27 C25 C19 110.1(4) .
C26 C25 H25 107.6 .
C27 C25 H25 107.6 .
C19 C25 H25 107.6 .
C25 C26 H26A 109.5 .
C25 C26 H26B 109.5 .
H26A C26 H26B 109.5 .
C25 C26 H26C 109.5 .
H26A C26 H26C 109.5 .
H26B C26 H26C 109.5 .
C25 C27 H27A 109.5 .
C25 C27 H27B 109.5 .
H27A C27 H27B 109.5 .
C25 C27 H27C 109.5 .
H27A C27 H27C 109.5 .
H27B C27 H27C 109.5 .
C21 C28 C29 110.5(3) .
C21 C28 C30 114.8(3) .
C29 C28 C30 108.7(3) .
C21 C28 H28 107.5 .
C29 C28 H28 107.5 .
C30 C28 H28 107.5 .
C28 C29 H29A 109.5 .
C28 C29 H29B 109.5 .
H29A C29 H29B 109.5 .
C28 C29 H29C 109.5 .
H29A C29 H29C 109.5 .
H29B C29 H29C 109.5 .
C28 C30 H30A 109.5 .
C28 C30 H30B 109.5 .
H30A C30 H30B 109.5 .
C28 C30 H30C 109.5 .
H30A C30 H30C 109.5 .
H30B C30 H30C 109.5 .
C32 C31 C36 117.2(3) .
C32 C31 Si3 125.3(2) .
C36 C31 Si3 117.5(2) .
C33 C32 C31 120.3(3) .
C33 C32 C37 116.6(3) .
C31 C32 C37 123.0(3) .
C34 C33 C32 122.8(3) .
C34 C33 H33 118.6 .
C32 C33 H33 118.6 .
C35 C34 C33 117.0(3) .
C35 C34 C40 121.7(3) .
C33 C34 C40 121.3(3) .
C34 C35 C36 122.9(3) .
C34 C35 H35 118.6 .
C36 C35 H35 118.6 .
C35 C36 C31 119.8(3) .
C35 C36 C43 116.9(3) .
C31 C36 C43 123.3(2) .
C32 C37 C38 110.7(3) .
C32 C37 C39 112.2(3) .
C38 C37 C39 110.6(3) .
C32 C37 H37 107.7 .
C38 C37 H37 107.7 .
C39 C37 H37 107.7 .
C37 C38 H38A 109.5 .
C37 C38 H38B 109.5 .
H38A C38 H38B 109.5 .
C37 C38 H38C 109.5 .
H38A C38 H38C 109.5 .
H38B C38 H38C 109.5 .
C37 C39 H39A 109.5 .
C37 C39 H39B 109.5 .
H39A C39 H39B 109.5 .
C37 C39 H39C 109.5 .
H39A C39 H39C 109.5 .
H39B C39 H39C 109.5 .
C42 C40 C34 111.9(3) .
C42 C40 C41 110.6(4) .
C34 C40 C41 110.6(3) .
C42 C40 H40 107.8 .
C34 C40 H40 107.8 .
C41 C40 H40 107.8 .
C40 C41 H41A 109.5 .
C40 C41 H41B 109.5 .
H41A C41 H41B 109.5 .
C40 C41 H41C 109.5 .
H41A C41 H41C 109.5 .
H41B C41 H41C 109.5 .
C40 C42 H42A 109.5 .
C40 C42 H42B 109.5 .
H42A C42 H42B 109.5 .
C40 C42 H42C 109.5 .
H42A C42 H42C 109.5 .
H42B C42 H42C 109.5 .
C36 C43 C44 112.6(3) .
C36 C43 C45 111.0(2) .
C44 C43 C45 111.2(3) .
C36 C43 H43 107.3 .
C44 C43 H43 107.3 .
C45 C43 H43 107.3 .
C43 C44 H44A 109.5 .
C43 C44 H44B 109.5 .
H44A C44 H44B 109.5 .
C43 C44 H44C 109.5 .
H44A C44 H44C 109.5 .
H44B C44 H44C 109.5 .
C43 C45 H45A 109.5 .
C43 C45 H45B 109.5 .
H45A C45 H45B 109.5 .
C43 C45 H45C 109.5 .
H45A C45 H45C 109.5 .
H45B C45 H45C 109.5 .
C47 C46 C51 117.1(3) .
C47 C46 Si3 126.0(2) .
C51 C46 Si3 116.8(2) .
C48 C47 C46 120.5(3) .
C48 C47 C52 116.5(3) .
C46 C47 C52 123.0(3) .
C49 C48 C47 122.5(3) .
C49 C48 H48 118.8 .
C47 C48 H48 118.8 .
C48 C49 C50 117.1(3) .
C48 C49 C55 123.1(3) .
C50 C49 C55 119.7(3) .
C49 C50 C51 123.3(3) .
C49 C50 H50 118.4 .
C51 C50 H50 118.4 .
C50 C51 C46 119.5(3) .
C50 C51 C58 117.1(3) .
C46 C51 C58 123.3(3) .
C47 C52 C54 113.0(3) .
C47 C52 C53 111.1(3) .
C54 C52 C53 110.0(3) .
C47 C52 H52 107.5 .
C54 C52 H52 107.5 .
C53 C52 H52 107.5 .
C52 C53 H53A 109.5 .
C52 C53 H53B 109.5 .
H53A C53 H53B 109.5 .
C52 C53 H53C 109.5 .
H53A C53 H53C 109.5 .
H53B C53 H53C 109.5 .
C52 C54 H54A 109.5 .
C52 C54 H54B 109.5 .
H54A C54 H54B 109.5 .
C52 C54 H54C 109.5 .
H54A C54 H54C 109.5 .
H54B C54 H54C 109.5 .
C57 C55 C56 109.8(5) .
C57 C55 C49 110.8(4) .
C56 C55 C49 113.5(4) .
C57 C55 H55 107.5 .
C56 C55 H55 107.5 .
C49 C55 H55 107.5 .
C55 C56 H56A 109.5 .
C55 C56 H56B 109.5 .
H56A C56 H56B 109.5 .
C55 C56 H56C 109.5 .
H56A C56 H56C 109.5 .
H56B C56 H56C 109.5 .
C55 C57 H57A 109.5 .
C55 C57 H57B 109.5 .
H57A C57 H57B 109.5 .
C55 C57 H57C 109.5 .
H57A C57 H57C 109.5 .
H57B C57 H57C 109.5 .
C51 C58 C60 110.9(3) .
C51 C58 C59 113.5(3) .
C60 C58 C59 110.4(3) .
C51 C58 H58 107.2 .
C60 C58 H58 107.2 .
C59 C58 H58 107.2 .
C58 C59 H59A 109.5 .
C58 C59 H59B 109.5 .
H59A C59 H59B 109.5 .
C58 C59 H59C 109.5 .
H59A C59 H59C 109.5 .
H59B C59 H59C 109.5 .
C58 C60 H60A 109.5 .
C58 C60 H60B 109.5 .
H60A C60 H60B 109.5 .
C58 C60 H60C 109.5 .
H60A C60 H60C 109.5 .
H60B C60 H60C 109.5 .
C66 C61 C62 117.8(3) .
C66 C61 Si9 122.9(2) .
C62 C61 Si9 119.3(2) .
C63 C62 C61 119.8(3) .
C63 C62 C67 116.9(3) .
C61 C62 C67 123.3(2) .
C64 C63 C62 122.9(3) .
C64 C63 H63 118.5 .
C62 C63 H63 118.5 .
C65 C64 C63 117.4(3) .
C65 C64 C70 123.5(3) .
C63 C64 C70 119.1(3) .
C64 C65 C66 122.8(3) .
C64 C65 H65 118.6 .
C66 C65 H65 118.6 .
C65 C66 C61 119.2(3) .
C65 C66 C73 118.7(3) .
C61 C66 C73 122.1(3) .
C62 C67 C69 110.6(2) .
C62 C67 C68 113.1(2) .
C69 C67 C68 110.1(3) .
C62 C67 H67 107.6 .
C69 C67 H67 107.6 .
C68 C67 H67 107.6 .
C67 C68 H68A 109.5 .
C67 C68 H68B 109.5 .
H68A C68 H68B 109.5 .
C67 C68 H68C 109.5 .
H68A C68 H68C 109.5 .
H68B C68 H68C 109.5 .
C67 C69 H69A 109.5 .
C67 C69 H69B 109.5 .
H69A C69 H69B 109.5 .
C67 C69 H69C 109.5 .
H69A C69 H69C 109.5 .
H69B C69 H69C 109.5 .
C71 C70 C72 111.8(3) .
C71 C70 C64 113.4(3) .
C72 C70 C64 109.8(3) .
C71 C70 H70 107.2 .
C72 C70 H70 107.2 .
C64 C70 H70 107.2 .
C70 C71 H71A 109.5 .
C70 C71 H71B 109.5 .
H71A C71 H71B 109.5 .
C70 C71 H71C 109.5 .
H71A C71 H71C 109.5 .
H71B C71 H71C 109.5 .
C70 C72 H72A 109.5 .
C70 C72 H72B 109.5 .
H72A C72 H72B 109.5 .
C70 C72 H72C 109.5 .
H72A C72 H72C 109.5 .
H72B C72 H72C 109.5 .
C66 C73 C75 111.8(3) .
C66 C73 C74 111.7(3) .
C75 C73 C74 109.7(3) .
C66 C73 H73 107.8 .
C75 C73 H73 107.8 .
C74 C73 H73 107.8 .
C73 C74 H74A 109.5 .
C73 C74 H74B 109.5 .
H74A C74 H74B 109.5 .
C73 C74 H74C 109.5 .
H74A C74 H74C 109.5 .
H74B C74 H74C 109.5 .
C73 C75 H75A 109.5 .
C73 C75 H75B 109.5 .
H75A C75 H75B 109.5 .
C73 C75 H75C 109.5 .
H75A C75 H75C 109.5 .
H75B C75 H75C 109.5 .
C81 C76 C77 118.5(3) .
C81 C76 Si7 120.1(3) .
C77 C76 Si7 121.3(3) .
C78 C77 C76 119.2(4) .
C78 C77 C82 117.8(4) .
C76 C77 C82 123.0(3) .
C79 C78 C77 122.9(4) .
C79 C78 H78 118.6 .
C77 C78 H78 118.6 .
C78 C79 C80 118.1(4) .
C78 C79 C85 121.2(5) .
C80 C79 C85 120.7(5) .
C79 C80 C81 122.1(4) .
C79 C80 H80 118.9 .
C81 C80 H80 118.9 .
C80 C81 C76 119.1(4) .
C80 C81 C88 117.3(4) .
C76 C81 C88 123.6(3) .
C77 C82 C84 111.6(3) .
C77 C82 C83 114.7(3) .
C84 C82 C83 108.1(3) .
C77 C82 H82 107.4 .
C84 C82 H82 107.4 .
C83 C82 H82 107.4 .
C82 C83 H83A 109.5 .
C82 C83 H83B 109.5 .
H83A C83 H83B 109.5 .
C82 C83 H83C 109.5 .
H83A C83 H83C 109.5 .
H83B C83 H83C 109.5 .
C82 C84 H84A 109.5 .
C82 C84 H84B 109.5 .
H84A C84 H84B 109.5 .
C82 C84 H84C 109.5 .
H84A C84 H84C 109.5 .
H84B C84 H84C 109.5 .
C87 C85 C86 122.2(7) .
C87 C85 C79 109.8(5) .
C86 C85 C79 111.3(4) .
C87 C85 H85 103.8 .
C86 C85 H85 103.8 .
C79 C85 H85 103.8 .
C85 C86 H86A 109.5 .
C85 C86 H86B 109.5 .
H86A C86 H86B 109.5 .
C85 C86 H86C 109.5 .
H86A C86 H86C 109.5 .
H86B C86 H86C 109.5 .
C85 C87 H87A 109.5 .
C85 C87 H87B 109.5 .
H87A C87 H87B 109.5 .
C85 C87 H87C 109.5 .
H87A C87 H87C 109.5 .
H87B C87 H87C 109.5 .
C90 C88 C81 111.2(3) .
C90 C88 C89 110.6(4) .
C81 C88 C89 113.6(3) .
C90 C88 H88 107.0 .
C81 C88 H88 107.0 .
C89 C88 H88 107.0 .
C88 C89 H89A 109.5 .
C88 C89 H89B 109.5 .
H89A C89 H89B 109.5 .
C88 C89 H89C 109.5 .
H89A C89 H89C 109.5 .
H89B C89 H89C 109.5 .
C88 C90 H90A 109.5 .
C88 C90 H90B 109.5 .
H90A C90 H90B 109.5 .
C88 C90 H90C 109.5 .
H90A C90 H90C 109.5 .
H90B C90 H90C 109.5 .
C92 C91 C96 117.2(3) .
C92 C91 Si8 126.5(2) .
C96 C91 Si8 116.4(2) .
C93 C92 C91 120.0(3) .
C93 C92 C97 116.9(3) .
C91 C92 C97 123.1(3) .
C94 C93 C92 123.1(3) .
C94 C93 H93 118.4 .
C92 C93 H93 118.4 .
C95 C94 C93 116.5(3) .
C95 C94 C100 122.7(3) .
C93 C94 C100 120.8(3) .
C94 C95 C96 123.1(3) .
C94 C95 H95 118.5 .
C96 C95 H95 118.5 .
C95 C96 C91 120.1(3) .
C95 C96 C103 117.1(3) .
C91 C96 C103 122.8(3) .
C98 C97 C92 110.8(3) .
C98 C97 C99 110.3(3) .
C92 C97 C99 113.6(3) .
C98 C97 H97 107.3 .
C92 C97 H97 107.3 .
C99 C97 H97 107.3 .
C97 C98 H98A 109.5 .
C97 C98 H98B 109.5 .
H98A C98 H98B 109.5 .
C97 C98 H98C 109.5 .
H98A C98 H98C 109.5 .
H98B C98 H98C 109.5 .
C97 C99 H99A 109.5 .
C97 C99 H99B 109.5 .
H99A C99 H99B 109.5 .
C97 C99 H99C 109.5 .
H99A C99 H99C 109.5 .
H99B C99 H99C 109.5 .
C1B1 C100 C1B2 115.8(16) .
C1A2 C100 C1A1 107.8(8) .
C1A2 C100 C94 114.6(4) .
C1B1 C100 C94 116.0(10) .
C1B2 C100 C94 108.2(8) .
C1A1 C100 C94 110.7(4) .
C1A2 C100 H1A0 107.8 .
C1A1 C100 H1A0 107.8 .
C94 C100 H1A0 107.8 .
C1B1 C100 H1B0 105.2 .
C1B2 C100 H1B0 105.2 .
C94 C100 H1B0 105.2 .
C100 C1A1 H1A1 109.5 .
C100 C1A1 H1A2 109.5 .
H1A1 C1A1 H1A2 109.5 .
C100 C1A1 H1A3 109.5 .
H1A1 C1A1 H1A3 109.5 .
H1A2 C1A1 H1A3 109.5 .
C100 C1A2 H1A4 109.5 .
C100 C1A2 H1A5 109.5 .
H1A4 C1A2 H1A5 109.5 .
C100 C1A2 H1A6 109.5 .
H1A4 C1A2 H1A6 109.5 .
H1A5 C1A2 H1A6 109.5 .
C100 C1B1 H1B1 109.5 .
C100 C1B1 H1B2 109.5 .
H1B1 C1B1 H1B2 109.5 .
C100 C1B1 H1B3 109.5 .
H1B1 C1B1 H1B3 109.5 .
H1B2 C1B1 H1B3 109.5 .
C100 C1B2 H1B4 109.5 .
C100 C1B2 H1B5 109.5 .
H1B4 C1B2 H1B5 109.5 .
C100 C1B2 H1B6 109.5 .
H1B4 C1B2 H1B6 109.5 .
H1B5 C1B2 H1B6 109.5 .
C96 C103 C104 112.5(3) .
C96 C103 C105 110.7(3) .
C104 C103 C105 110.8(3) .
C96 C103 H103 107.6 .
C104 C103 H103 107.6 .
C105 C103 H103 107.6 .
C103 C104 H10A 109.5 .
C103 C104 H10B 109.5 .
H10A C104 H10B 109.5 .
C103 C104 H10C 109.5 .
H10A C104 H10C 109.5 .
H10B C104 H10C 109.5 .
C103 C105 H10D 109.5 .
C103 C105 H10E 109.5 .
H10D C105 H10E 109.5 .
C103 C105 H10F 109.5 .
H10D C105 H10F 109.5 .
H10E C105 H10F 109.5 .
C111 C106 C107 117.7(3) .
C111 C106 Si8 125.8(2) .
C107 C106 Si8 116.6(2) .
C108 C107 C106 119.2(3) .
C108 C107 C112 116.7(3) .
C106 C107 C112 124.1(3) .
C109 C108 C107 123.3(3) .
C109 C108 H108 118.3 .
C107 C108 H108 118.3 .
C108 C109 C110 117.0(3) .
C108 C109 C115 123.4(4) .
C110 C109 C115 119.6(4) .
C109 C110 C111 123.0(4) .
C109 C110 H110 118.5 .
C111 C110 H110 118.5 .
C110 C111 C106 119.7(3) .
C110 C111 C118 116.7(3) .
C106 C111 C118 123.6(3) .
C107 C112 C113 111.1(3) .
C107 C112 C114 113.0(3) .
C113 C112 C114 110.3(3) .
C107 C112 H112 107.4 .
C113 C112 H112 107.4 .
C114 C112 H112 107.4 .
C112 C113 H11D 109.5 .
C112 C113 H11E 109.5 .
H11D C113 H11E 109.5 .
C112 C113 H11F 109.5 .
H11D C113 H11F 109.5 .
H11E C113 H11F 109.5 .
C112 C114 H11G 109.5 .
C112 C114 H11H 109.5 .
H11G C114 H11H 109.5 .
C112 C114 H11I 109.5 .
H11G C114 H11I 109.5 .
H11H C114 H11I 109.5 .
C1B7 C115 C1B6 134.8(6) .
C1A7 C115 C1A6 127.5(9) .
C1B7 C115 C109 111.4(5) .
C1B6 C115 C109 113.4(5) .
C1A7 C115 C109 114.3(8) .
C1A6 C115 C109 109.8(8) .
C1A7 C115 H1AA 99.7 .
C1A6 C115 H1AA 99.7 .
C109 C115 H1AA 99.7 .
C1B7 C115 H1BA 92.0 .
C1B6 C115 H1BA 92.0 .
C109 C115 H1BA 92.0 .
C115 C1A6 H1A7 109.5 .
C115 C1A6 H1A8 109.5 .
H1A7 C1A6 H1A8 109.5 .
C115 C1A6 H1A9 109.5 .
H1A7 C1A6 H1A9 109.5 .
H1A8 C1A6 H1A9 109.5 .
C115 C1A7 H1AX 109.5 .
C115 C1A7 H1AY 109.5 .
H1AX C1A7 H1AY 109.5 .
C115 C1A7 H1AZ 109.5 .
H1AX C1A7 H1AZ 109.5 .
H1AY C1A7 H1AZ 109.5 .
C115 C1B6 H1B7 109.5 .
C115 C1B6 H1B8 109.5 .
H1B7 C1B6 H1B8 109.5 .
C115 C1B6 H1B9 109.5 .
H1B7 C1B6 H1B9 109.5 .
H1B8 C1B6 H1B9 109.5 .
C115 C1B7 H1BX 109.5 .
C115 C1B7 H1BY 109.5 .
H1BX C1B7 H1BY 109.5 .
C115 C1B7 H1BZ 109.5 .
H1BX C1B7 H1BZ 109.5 .
H1BY C1B7 H1BZ 109.5 .
C111 C118 C120 110.8(3) .
C111 C118 C119 113.2(3) .
C120 C118 C119 109.3(3) .
C111 C118 H118 107.8 .
C120 C118 H118 107.8 .
C119 C118 H118 107.8 .
C118 C119 H11J 109.5 .
C118 C119 H11K 109.5 .
H11J C119 H11K 109.5 .
C118 C119 H11L 109.5 .
H11J C119 H11L 109.5 .
H11K C119 H11L 109.5 .
C118 C120 H12D 109.5 .
C118 C120 H12E 109.5 .
H12D C120 H12E 109.5 .
C118 C120 H12F 109.5 .
H12D C120 H12F 109.5 .
H12E C120 H12F 109.5 .
O1 Li1 Si1 119.0(3) .
O1 Li1 Si6 131.4(3) .
Si1 Li1 Si6 109.6(2) .
O1 Li1 Li4 160.0(4) .
Si1 Li1 Li4 57.27(15) .
Si6 Li1 Li4 56.25(15) .
O1 Li1 Li2 150.2(4) .
Si1 Li1 Li2 62.39(16) .
Si6 Li1 Li2 58.28(16) .
Li4 Li1 Li2 48.92(17) .
O2 Li2 Li4 174.7(4) .
O2 Li2 Si6 122.9(3) .
Li4 Li2 Si6 59.95(16) .
O2 Li2 Si5 117.8(2) .
Li4 Li2 Si5 59.25(17) .
Si6 Li2 Si5 119.19(18) .
O2 Li2 Si10 119.0(3) .
Li4 Li2 Si10 58.43(17) .
Si6 Li2 Si10 52.25(10) .
Si5 Li2 Si10 95.44(17) .
O2 Li2 Si1 123.9(3) .
Li4 Li2 Si1 58.46(17) .
Si6 Li2 Si1 94.57(16) .
Si5 Li2 Si1 51.57(10) .
Si10 Li2 Si1 116.88(17) .
O2 Li2 Li3 112.1(3) .
Li4 Li2 Li3 62.6(2) .
Si6 Li2 Li3 99.5(2) .
Si5 Li2 Li3 52.20(14) .
Si10 Li2 Li3 51.20(14) .
Si1 Li2 Li3 98.85(19) .
O2 Li2 Li1 121.2(3) .
Li4 Li2 Li1 64.1(2) .
Si6 Li2 Li1 52.21(15) .
Si5 Li2 Li1 98.7(2) .
Si10 Li2 Li1 99.72(19) .
Si1 Li2 Li1 50.57(14) .
Li3 Li2 Li1 126.7(2) .
O3 Li3 Si10 118.1(3) .
O3 Li3 Si5 130.6(3) .
Si10 Li3 Si5 110.5(2) .
O3 Li3 Li4 167.2(3) .
Si10 Li3 Li4 57.76(15) .
Si5 Li3 Li4 57.05(15) .
O3 Li3 Li2 141.5(3) .
Si10 Li3 Li2 61.91(16) .
Si5 Li3 Li2 59.38(16) .
Li4 Li3 Li2 49.70(17) .
Li2 Li4 Si5 66.17(18) .
Li2 Li4 Si6 65.14(18) .
Si5 Li4 Si6 131.3(2) .
Li2 Li4 Si10 68.48(19) .
Si5 Li4 Si10 105.85(17) .
Si6 Li4 Si10 56.29(11) .
Li2 Li4 Si1 68.96(19) .
Si5 Li4 Si1 56.09(11) .
Si6 Li4 Si1 103.96(19) .
Si10 Li4 Si1 137.4(2) .
Li2 Li4 Li3 67.7(2) .
Si5 Li4 Li3 55.09(14) .
Si6 Li4 Li3 105.8(2) .
Si10 Li4 Li3 54.68(14) .
Si1 Li4 Li3 108.3(2) .
Li2 Li4 Li1 67.0(2) .
Si5 Li4 Li1 104.5(2) .
Si6 Li4 Li1 54.07(15) .
Si10 Li4 Li1 107.5(2) .
Si1 Li4 Li1 53.43(15) .
Li3 Li4 Li1 134.7(3) .
C121 O1 C124 107.4(3) .
C121 O1 Li1 130.2(3) .
C124 O1 Li1 122.3(3) .
C125 O2 C128 108.8(3) .
C125 O2 Li2 128.5(3) .
C128 O2 Li2 122.7(3) .
C129 O3 C132 108.9(3) .
C129 O3 Li3 123.5(3) .
C132 O3 Li3 125.8(3) .
O1 C121 C122 109.1(4) .
O1 C121 H12G 109.9 .
C122 C121 H12G 109.9 .
O1 C121 H12H 109.9 .
C122 C121 H12H 109.9 .
H12G C121 H12H 108.3 .
C121 C122 C123 104.1(4) .
C121 C122 H12I 110.9 .
C123 C122 H12I 110.9 .
C121 C122 H12J 110.9 .
C123 C122 H12J 110.9 .
H12I C122 H12J 109.0 .
C124 C123 C122 107.1(4) .
C124 C123 H12K 110.3 .
C122 C123 H12K 110.3 .
C124 C123 H12L 110.3 .
C122 C123 H12L 110.3 .
H12K C123 H12L 108.6 .
C123 C124 O1 109.3(4) .
C123 C124 H12M 109.8 .
O1 C124 H12M 109.8 .
C123 C124 H12N 109.8 .
O1 C124 H12N 109.8 .
H12M C124 H12N 108.3 .
O2 C125 C126 105.2(4) .
O2 C125 H12O 110.7 .
C126 C125 H12O 110.7 .
O2 C125 H12P 110.7 .
C126 C125 H12P 110.7 .
H12O C125 H12P 108.8 .
C127 C126 C125 104.3(5) .
C127 C126 H12Q 110.9 .
C125 C126 H12Q 110.9 .
C127 C126 H12R 110.9 .
C125 C126 H12R 110.9 .
H12Q C126 H12R 108.9 .
C126 C127 C128 106.2(4) .
C126 C127 H12S 110.5 .
C128 C127 H12S 110.5 .
C126 C127 H12T 110.5 .
C128 C127 H12T 110.5 .
H12S C127 H12T 108.7 .
O2 C128 C127 104.7(4) .
O2 C128 H12U 110.8 .
C127 C128 H12U 110.8 .
O2 C128 H12V 110.8 .
C127 C128 H12V 110.8 .
H12U C128 H12V 108.9 .
O3 C129 C130 104.1(4) .
O3 C129 H12W 110.9 .
C130 C129 H12W 110.9 .
O3 C129 H12$ 110.9 .
C130 C129 H12$ 110.9 .
H12W C129 H12$ 109.0 .
C131 C130 C129 105.9(6) .
C131 C130 H13A 110.5 .
C129 C130 H13A 110.5 .
C131 C130 H13B 110.5 .
C129 C130 H13B 110.5 .
H13A C130 H13B 108.7 .
C132 C131 C130 104.6(6) .
C132 C131 H13C 110.8 .
C130 C131 H13C 110.8 .
C132 C131 H13D 110.8 .
C130 C131 H13D 110.8 .
H13C C131 H13D 108.9 .
O3 C132 C131 108.1(5) .
O3 C132 H13E 110.1 .
C131 C132 H13E 110.1 .
O3 C132 H13F 110.1 .
C131 C132 H13F 110.1 .
H13E C132 H13F 108.4 .
Si14 Si11 Si12 73.47(4) .
Si14 Si11 Si15 57.17(3) .
Si12 Si11 Si15 56.24(3) .
Si14 Si11 Li5 132.58(14) .
Si12 Si11 Li5 153.03(14) .
Si15 Si11 Li5 126.57(11) .
Si14 Si11 Li8 80.95(11) .
Si12 Si11 Li8 118.03(11) .
Si15 Si11 Li8 62.34(11) .
Li5 Si11 Li8 68.18(15) .
Si14 Si11 Li6 120.09(11) .
Si12 Si11 Li6 93.85(10) .
Si15 Si11 Li6 67.12(10) .
Li5 Si11 Li6 68.16(16) .
Li8 Si11 Li6 53.62(14) .
C148 Si12 Si15 129.88(11) .
C148 Si12 Si13 126.99(10) .
Si15 Si12 Si13 97.48(4) .
C148 Si12 Si11 121.97(11) .
Si15 Si12 Si11 66.44(3) .
Si13 Si12 Si11 95.64(4) .
C148 Si12 Si14 173.70(11) .
Si15 Si12 Si14 53.61(3) .
Si13 Si12 Si14 53.39(3) .
Si11 Si12 Si14 53.07(3) .
C178 Si13 C163 103.93(13) .
C178 Si13 Si12 109.58(10) .
C163 Si13 Si12 130.34(12) .
C178 Si13 Si14 129.42(11) .
C163 Si13 Si14 110.94(10) .
Si12 Si13 Si14 73.48(4) .
C133 Si14 Si11 130.58(10) .
C133 Si14 Si13 128.91(10) .
Si11 Si14 Si13 95.74(4) .
C133 Si14 Si15 119.27(10) .
Si11 Si14 Si15 66.15(4) .
Si13 Si14 Si15 96.43(4) .
C133 Si14 Si12 170.57(10) .
Si11 Si14 Si12 53.45(3) .
Si13 Si14 Si12 53.13(3) .
Si15 Si14 Si12 52.63(3) .
Si12 Si15 Si14 73.76(4) .
Si12 Si15 Si11 57.32(3) .
Si14 Si15 Si11 56.68(3) .
Si12 Si15 Li7 145.29(14) .
Si14 Si15 Li7 138.39(13) .
Si11 Si15 Li7 122.26(11) .
Si12 Si15 Li8 118.65(11) .
Si14 Si15 Li8 80.49(11) .
Si11 Si15 Li8 61.89(11) .
Li7 Si15 Li8 67.92(15) .
Si12 Si15 Li6 91.29(10) .
Si14 Si15 Li6 114.99(10) .
Si11 Si15 Li6 62.11(10) .
Li7 Si15 Li6 65.36(15) .
Li8 Si15 Li6 52.08(14) .
Si17 Si16 Si19 73.52(3) .
Si17 Si16 Si20 57.12(3) .
Si19 Si16 Si20 56.35(3) .
Si17 Si16 Li5 145.79(14) .
Si19 Si16 Li5 138.02(14) .
Si20 Si16 Li5 122.34(11) .
Si17 Si16 Li8 117.26(11) .
Si19 Si16 Li8 81.57(11) .
Si20 Si16 Li8 61.02(10) .
Li5 Si16 Li8 67.54(15) .
Si17 Si16 Li6 87.97(10) .
Si19 Si16 Li6 115.24(10) .
Si20 Si16 Li6 61.47(10) .
Li5 Si16 Li6 67.82(15) .
Li8 Si16 Li6 53.08(15) .
C208 Si17 Si16 130.09(8) .
C208 Si17 Si20 120.57(8) .
Si16 Si17 Si20 66.64(3) .
C208 Si17 Si18 127.32(9) .
Si16 Si17 Si18 97.90(4) .
Si20 Si17 Si18 95.31(3) .
C208 Si17 Si19 172.24(8) .
Si16 Si17 Si19 53.66(3) .
Si20 Si17 Si19 52.96(3) .
Si18 Si17 Si19 53.57(3) .
C238 Si18 C223 104.26(11) .
C238 Si18 Si17 130.56(9) .
C223 Si18 Si17 109.23(8) .
C238 Si18 Si19 111.18(9) .
C223 Si18 Si19 129.27(9) .
Si17 Si18 Si19 72.95(3) .
C193 Si19 Si20 130.26(9) .
C193 Si19 Si16 120.24(9) .
Si20 Si19 Si16 66.53(3) .
C193 Si19 Si18 128.21(9) .
Si20 Si19 Si18 95.73(3) .
Si16 Si19 Si18 97.11(4) .
C193 Si19 Si17 171.77(9) .
Si20 Si19 Si17 53.57(3) .
Si16 Si19 Si17 52.82(3) .
Si18 Si19 Si17 53.48(3) .
Si19 Si20 Si17 73.47(3) .
Si19 Si20 Si16 57.12(3) .
Si17 Si20 Si16 56.24(3) .
Si19 Si20 Li7 136.75(14) .
Si17 Si20 Li7 148.63(14) .
Si16 Si20 Li7 126.13(11) .
Si19 Si20 Li8 83.12(11) .
Si17 Si20 Li8 118.48(11) .
Si16 Si20 Li8 63.14(11) .
Li7 Si20 Li8 68.06(16) .
Si19 Si20 Li6 120.01(10) .
Si17 Si20 Li6 90.08(11) .
Si16 Si20 Li6 65.72(10) .
Li7 Si20 Li6 68.38(16) .
Li8 Si20 Li6 54.80(15) .
C134 C133 C138 117.6(3) .
C134 C133 Si14 119.2(2) .
C138 C133 Si14 123.2(2) .
C135 C134 C133 119.2(3) .
C135 C134 C139 117.4(3) .
C133 C134 C139 123.4(3) .
C136 C135 C134 123.0(3) .
C136 C135 H135 118.5 .
C134 C135 H135 118.5 .
C137 C136 C135 117.0(3) .
C137 C136 C142 121.7(4) .
C135 C136 C142 121.2(4) .
C136 C137 C138 123.0(4) .
C136 C137 H137 118.5 .
C138 C137 H137 118.5 .
C137 C138 C133 120.0(3) .
C137 C138 C145 117.3(3) .
C133 C138 C145 122.7(3) .
C134 C139 C140 113.8(3) .
C134 C139 C141 110.8(3) .
C140 C139 C141 109.0(3) .
C134 C139 H139 107.7 .
C140 C139 H139 107.7 .
C141 C139 H139 107.7 .
C139 C140 H14D 109.5 .
C139 C140 H14E 109.5 .
H14D C140 H14E 109.5 .
C139 C140 H14F 109.5 .
H14D C140 H14F 109.5 .
H14E C140 H14F 109.5 .
C139 C141 H14G 109.5 .
C139 C141 H14H 109.5 .
H14G C141 H14H 109.5 .
C139 C141 H14I 109.5 .
H14G C141 H14I 109.5 .
H14H C141 H14I 109.5 .
C144 C142 C143 119.5(6) .
C144 C142 C136 114.2(5) .
C143 C142 C136 113.9(4) .
C144 C142 H142 101.8 .
C143 C142 H142 101.8 .
C136 C142 H142 101.8 .
C142 C143 H14J 109.5 .
C142 C143 H14K 109.5 .
H14J C143 H14K 109.5 .
C142 C143 H14L 109.5 .
H14J C143 H14L 109.5 .
H14K C143 H14L 109.5 .
C142 C144 H14M 109.5 .
C142 C144 H14N 109.5 .
H14M C144 H14N 109.5 .
C142 C144 H14O 109.5 .
H14M C144 H14O 109.5 .
H14N C144 H14O 109.5 .
C138 C145 C146 111.8(3) .
C138 C145 C147 112.2(3) .
C146 C145 C147 109.9(3) .
C138 C145 H145 107.5 .
C146 C145 H145 107.5 .
C147 C145 H145 107.5 .
C145 C146 H14P 109.5 .
C145 C146 H14Q 109.5 .
H14P C146 H14Q 109.5 .
C145 C146 H14R 109.5 .
H14P C146 H14R 109.5 .
H14Q C146 H14R 109.5 .
C145 C147 H14S 109.5 .
C145 C147 H14T 109.5 .
H14S C147 H14T 109.5 .
C145 C147 H14U 109.5 .
H14S C147 H14U 109.5 .
H14T C147 H14U 109.5 .
C153 C148 C149 118.9(3) .
C153 C148 Si12 120.0(3) .
C149 C148 Si12 121.0(3) .
C150 C149 C148 118.4(5) .
C150 C149 C154 118.3(4) .
C148 C149 C154 123.3(4) .
C151 C150 C149 123.2(5) .
C151 C150 H150 118.4 .
C149 C150 H150 118.4 .
C150 C151 C152 118.6(5) .
C150 C151 C157 120.6(7) .
C152 C151 C157 120.8(7) .
C151 C152 C153 122.0(5) .
C151 C152 H152 119.0 .
C153 C152 H152 119.0 .
C152 C153 C148 118.9(4) .
C152 C153 C160 117.9(4) .
C148 C153 C160 123.1(3) .
C149 C154 C155 112.7(4) .
C149 C154 C156 112.9(4) .
C155 C154 C156 109.4(4) .
C149 C154 H154 107.2 .
C155 C154 H154 107.2 .
C156 C154 H154 107.2 .
C154 C155 H15D 109.5 .
C154 C155 H15E 109.5 .
H15D C155 H15E 109.5 .
C154 C155 H15F 109.5 .
H15D C155 H15F 109.5 .
H15E C155 H15F 109.5 .
C154 C156 H15G 109.5 .
C154 C156 H15H 109.5 .
H15G C156 H15H 109.5 .
C154 C156 H15I 109.5 .
H15G C156 H15I 109.5 .
H15H C156 H15I 109.5 .
C0B8 C157 C159 119.8(19) .
C159 C157 C0A8 121.2(10) .
C0B8 C157 C151 112.4(14) .
C159 C157 C151 110.3(7) .
C0A8 C157 C151 113.1(8) .
C159 C157 HA57 103.3 .
C0A8 C157 HA57 103.3 .
C151 C157 HA57 103.3 .
C0B8 C157 HB57 104.2 .
C159 C157 HB57 104.2 .
C151 C157 HB57 104.2 .
C157 C0A8 H0A1 109.5 .
C157 C0A8 H0A2 109.5 .
H0A1 C0A8 H0A2 109.5 .
C157 C0A8 H0A3 109.5 .
H0A1 C0A8 H0A3 109.5 .
H0A2 C0A8 H0A3 109.5 .
C157 C0B8 H0B1 109.5 .
C157 C0B8 H0B2 109.5 .
H0B1 C0B8 H0B2 109.5 .
C157 C0B8 H0B3 109.5 .
H0B1 C0B8 H0B3 109.5 .
H0B2 C0B8 H0B3 109.5 .
C157 C159 H15J 109.5 .
C157 C159 H15K 109.5 .
H15J C159 H15K 109.5 .
C157 C159 H15L 109.5 .
H15J C159 H15L 109.5 .
H15K C159 H15L 109.5 .
C161 C160 C153 111.4(3) .
C161 C160 C162 108.5(3) .
C153 C160 C162 113.4(3) .
C161 C160 H160 107.8 .
C153 C160 H160 107.8 .
C162 C160 H160 107.8 .
C160 C161 H16A 109.5 .
C160 C161 H16B 109.5 .
H16A C161 H16B 109.5 .
C160 C161 H16C 109.5 .
H16A C161 H16C 109.5 .
H16B C161 H16C 109.5 .
C160 C162 H16D 109.5 .
C160 C162 H16E 109.5 .
H16D C162 H16E 109.5 .
C160 C162 H16F 109.5 .
H16D C162 H16F 109.5 .
H16E C162 H16F 109.5 .
C164 C163 C168 118.2(3) .
C164 C163 Si13 125.8(3) .
C168 C163 Si13 116.1(3) .
C163 C164 C165 119.2(4) .
C163 C164 C169 123.7(3) .
C165 C164 C169 117.2(4) .
C166 C165 C164 123.1(5) .
C166 C165 H165 118.4 .
C164 C165 H165 118.4 .
C167 C166 C165 117.9(4) .
C167 C166 C7A2 111.1(7) .
C165 C166 C7A2 129.7(6) .
C167 C166 C7B2 132.4(8) .
C165 C166 C7B2 106.6(8) .
C166 C167 C168 122.7(5) .
C166 C167 H167 118.6 .
C168 C167 H167 118.6 .
C167 C168 C163 118.8(4) .
C167 C168 C175 117.0(4) .
C163 C168 C175 124.2(3) .
C164 C169 C170 111.6(3) .
C164 C169 C171 112.0(3) .
C170 C169 C171 110.5(3) .
C164 C169 H169 107.5 .
C170 C169 H169 107.5 .
C171 C169 H169 107.5 .
C169 C170 H17A 109.5 .
C169 C170 H17B 109.5 .
H17A C170 H17B 109.5 .
C169 C170 H17C 109.5 .
H17A C170 H17C 109.5 .
H17B C170 H17C 109.5 .
C169 C171 H17D 109.5 .
C169 C171 H17E 109.5 .
H17D C171 H17E 109.5 .
C169 C171 H17F 109.5 .
H17D C171 H17F 109.5 .
H17E C171 H17F 109.5 .
C7A4 C7A2 C7A3 111.4(9) .
C7A4 C7A2 C166 108.5(7) .
C7A3 C7A2 C166 121.1(7) .
C7A4 C7A2 H7A2 104.8 .
C7A3 C7A2 H7A2 104.8 .
C166 C7A2 H7A2 104.8 .
C7A2 C7A3 H7A1 109.5 .
C7A2 C7A3 H7A3 109.5 .
H7A1 C7A3 H7A3 109.5 .
C7A2 C7A3 H7A4 109.5 .
H7A1 C7A3 H7A4 109.5 .
H7A3 C7A3 H7A4 109.5 .
C7A2 C7A4 H7A5 109.5 .
C7A2 C7A4 H7A6 109.5 .
H7A5 C7A4 H7A6 109.5 .
C7A2 C7A4 H7A7 109.5 .
H7A5 C7A4 H7A7 109.5 .
H7A6 C7A4 H7A7 109.5 .
C7B3 C7B2 C7B4 108.7(14) .
C7B3 C7B2 C166 102.7(10) .
C7B4 C7B2 C166 132.2(11) .
C7B3 C7B2 H7B2 103.3 .
C7B4 C7B2 H7B2 103.3 .
C166 C7B2 H7B2 103.3 .
C7B2 C7B3 H7B1 109.5 .
C7B2 C7B3 H7B3 109.5 .
H7B1 C7B3 H7B3 109.5 .
C7B2 C7B3 H7B4 109.5 .
H7B1 C7B3 H7B4 109.5 .
H7B3 C7B3 H7B4 109.5 .
C7B2 C7B4 H7B5 109.5 .
C7B2 C7B4 H7B6 109.5 .
H7B5 C7B4 H7B6 109.5 .
C7B2 C7B4 H7B7 109.5 .
H7B5 C7B4 H7B7 109.5 .
H7B6 C7B4 H7B7 109.5 .
C168 C175 C176 113.3(4) .
C168 C175 C177 111.0(4) .
C176 C175 C177 110.9(4) .
C168 C175 H175 107.1 .
C176 C175 H175 107.1 .
C177 C175 H175 107.1 .
C175 C176 H17G 109.5 .
C175 C176 H17H 109.5 .
H17G C176 H17H 109.5 .
C175 C176 H17I 109.5 .
H17G C176 H17I 109.5 .
H17H C176 H17I 109.5 .
C175 C177 H17J 109.5 .
C175 C177 H17K 109.5 .
H17J C177 H17K 109.5 .
C175 C177 H17L 109.5 .
H17J C177 H17L 109.5 .
H17K C177 H17L 109.5 .
C179 C178 C183 117.3(3) .
C179 C178 Si13 125.7(2) .
C183 C178 Si13 117.0(2) .
C180 C179 C178 119.9(3) .
C180 C179 C184 116.6(3) .
C178 C179 C184 123.5(3) .
C181 C180 C179 122.8(4) .
C181 C180 H180 118.6 .
C179 C180 H180 118.6 .
C182 C181 C180 117.5(3) .
C182 C181 C187 120.9(4) .
C180 C181 C187 121.5(4) .
C181 C182 C183 122.6(4) .
C181 C182 H182 118.7 .
C183 C182 H182 118.7 .
C182 C183 C178 119.9(3) .
C182 C183 C190 116.4(3) .
C178 C183 C190 123.7(3) .
C179 C184 C185 111.0(3) .
C179 C184 C186 112.8(3) .
C185 C184 C186 110.1(3) .
C179 C184 H184 107.6 .
C185 C184 H184 107.6 .
C186 C184 H184 107.6 .
C184 C185 H18A 109.5 .
C184 C185 H18B 109.5 .
H18A C185 H18B 109.5 .
C184 C185 H18C 109.5 .
H18A C185 H18C 109.5 .
H18B C185 H18C 109.5 .
C184 C186 H18D 109.5 .
C184 C186 H18E 109.5 .
H18D C186 H18E 109.5 .
C184 C186 H18F 109.5 .
H18D C186 H18F 109.5 .
H18E C186 H18F 109.5 .
C189 C187 C188 118.1(6) .
C189 C187 C181 112.7(4) .
C188 C187 C181 111.0(4) .
C189 C187 H187 104.5 .
C188 C187 H187 104.5 .
C181 C187 H187 104.5 .
C187 C188 H18G 109.5 .
C187 C188 H18H 109.5 .
H18G C188 H18H 109.5 .
C187 C188 H18I 109.5 .
H18G C188 H18I 109.5 .
H18H C188 H18I 109.5 .
C187 C189 H18J 109.5 .
C187 C189 H18K 109.5 .
H18J C189 H18K 109.5 .
C187 C189 H18L 109.5 .
H18J C189 H18L 109.5 .
H18K C189 H18L 109.5 .
C183 C190 C192 111.3(3) .
C183 C190 C191 112.4(3) .
C192 C190 C191 111.3(3) .
C183 C190 H190 107.2 .
C192 C190 H190 107.2 .
C191 C190 H190 107.2 .
C190 C191 H19A 109.5 .
C190 C191 H19B 109.5 .
H19A C191 H19B 109.5 .
C190 C191 H19C 109.5 .
H19A C191 H19C 109.5 .
H19B C191 H19C 109.5 .
C190 C192 H19D 109.5 .
C190 C192 H19E 109.5 .
H19D C192 H19E 109.5 .
C190 C192 H19F 109.5 .
H19D C192 H19F 109.5 .
H19E C192 H19F 109.5 .
C194 C193 C198 117.5(2) .
C194 C193 Si19 119.54(19) .
C198 C193 Si19 122.91(19) .
C195 C194 C193 119.7(2) .
C195 C194 C199 117.6(2) .
C193 C194 C199 122.7(2) .
C196 C195 C194 122.8(3) .
C196 C195 H195 118.6 .
C194 C195 H195 118.6 .
C197 C196 C195 117.5(3) .
C197 C196 C202 119.8(3) .
C195 C196 C202 122.5(3) .
C196 C197 C198 122.4(3) .
C196 C197 H197 118.8 .
C198 C197 H197 118.8 .
C197 C198 C193 120.1(2) .
C197 C198 C205 117.6(2) .
C193 C198 C205 122.3(2) .
C194 C199 C201 111.2(3) .
C194 C199 C200 113.2(2) .
C201 C199 C200 110.1(2) .
C194 C199 H199 107.4 .
C201 C199 H199 107.4 .
C200 C199 H199 107.4 .
C199 C200 H20A 109.5 .
C199 C200 H20B 109.5 .
H20A C200 H20B 109.5 .
C199 C200 H20C 109.5 .
H20A C200 H20C 109.5 .
H20B C200 H20C 109.5 .
C199 C201 H20D 109.5 .
C199 C201 H20E 109.5 .
H20D C201 H20E 109.5 .
C199 C201 H20F 109.5 .
H20D C201 H20F 109.5 .
H20E C201 H20F 109.5 .
C196 C202 C203 113.2(3) .
C196 C202 C204 109.3(3) .
C203 C202 C204 111.5(3) .
C196 C202 H202 107.5 .
C203 C202 H202 107.5 .
C204 C202 H202 107.5 .
C202 C203 H20G 109.5 .
C202 C203 H20H 109.5 .
H20G C203 H20H 109.5 .
C202 C203 H20I 109.5 .
H20G C203 H20I 109.5 .
H20H C203 H20I 109.5 .
C202 C204 H20J 109.5 .
C202 C204 H20K 109.5 .
H20J C204 H20K 109.5 .
C202 C204 H20L 109.5 .
H20J C204 H20L 109.5 .
H20K C204 H20L 109.5 .
C198 C205 C207 110.7(3) .
C198 C205 C206 113.5(3) .
C207 C205 C206 109.4(3) .
C198 C205 H205 107.7 .
C207 C205 H205 107.7 .
C206 C205 H205 107.7 .
C205 C206 H20M 109.5 .
C205 C206 H20N 109.5 .
H20M C206 H20N 109.5 .
C205 C206 H20O 109.5 .
H20M C206 H20O 109.5 .
H20N C206 H20O 109.5 .
C205 C207 H20P 109.5 .
C205 C207 H20Q 109.5 .
H20P C207 H20Q 109.5 .
C205 C207 H20R 109.5 .
H20P C207 H20R 109.5 .
H20Q C207 H20R 109.5 .
C209 C208 C213 117.9(2) .
C209 C208 Si17 120.09(19) .
C213 C208 Si17 122.02(18) .
C210 C209 C208 119.7(2) .
C210 C209 C214 117.7(2) .
C208 C209 C214 122.6(2) .
C211 C210 C209 122.6(2) .
C211 C210 H210 118.7 .
C209 C210 H210 118.7 .
C210 C211 C212 117.5(2) .
C210 C211 C217 121.5(2) .
C212 C211 C217 121.0(2) .
C211 C212 C213 122.8(3) .
C211 C212 H212 118.6 .
C213 C212 H212 118.6 .
C212 C213 C208 119.5(2) .
C212 C213 C220 118.6(2) .
C208 C213 C220 121.9(2) .
C215 C214 C209 110.5(2) .
C215 C214 C216 110.3(2) .
C209 C214 C216 113.0(2) .
C215 C214 H214 107.6 .
C209 C214 H214 107.6 .
C216 C214 H214 107.6 .
C214 C215 H21A 109.5 .
C214 C215 H21B 109.5 .
H21A C215 H21B 109.5 .
C214 C215 H21C 109.5 .
H21A C215 H21C 109.5 .
H21B C215 H21C 109.5 .
C214 C216 H21D 109.5 .
C214 C216 H21E 109.5 .
H21D C216 H21E 109.5 .
C214 C216 H21F 109.5 .
H21D C216 H21F 109.5 .
H21E C216 H21F 109.5 .
C211 C217 C219 111.6(2) .
C211 C217 C218 111.5(2) .
C219 C217 C218 110.5(2) .
C211 C217 H217 107.7 .
C219 C217 H217 107.7 .
C218 C217 H217 107.7 .
C217 C218 H21G 109.5 .
C217 C218 H21H 109.5 .
H21G C218 H21H 109.5 .
C217 C218 H21I 109.5 .
H21G C218 H21I 109.5 .
H21H C218 H21I 109.5 .
C217 C219 H21J 109.5 .
C217 C219 H21K 109.5 .
H21J C219 H21K 109.5 .
C217 C219 H21L 109.5 .
H21J C219 H21L 109.5 .
H21K C219 H21L 109.5 .
C221 C220 C213 111.1(2) .
C221 C220 C222 109.9(3) .
C213 C220 C222 112.5(2) .
C221 C220 H220 107.7 .
C213 C220 H220 107.7 .
C222 C220 H220 107.7 .
C220 C221 H22A 109.5 .
C220 C221 H22B 109.5 .
H22A C221 H22B 109.5 .
C220 C221 H22C 109.5 .
H22A C221 H22C 109.5 .
H22B C221 H22C 109.5 .
C220 C222 H22D 109.5 .
C220 C222 H22E 109.5 .
H22D C222 H22E 109.5 .
C220 C222 H22F 109.5 .
H22D C222 H22F 109.5 .
H22E C222 H22F 109.5 .
C228 C223 C224 117.2(2) .
C228 C223 Si18 117.24(19) .
C224 C223 Si18 125.6(2) .
C225 C224 C223 119.9(3) .
C225 C224 C229 116.6(2) .
C223 C224 C229 123.4(2) .
C226 C225 C224 122.8(3) .
C226 C225 H225 118.6 .
C224 C225 H225 118.6 .
C227 C226 C225 117.1(3) .
C227 C226 C232 122.0(3) .
C225 C226 C232 120.8(3) .
C226 C227 C228 123.1(3) .
C226 C227 H227 118.4 .
C228 C227 H227 118.4 .
C227 C228 C223 119.8(3) .
C227 C228 C235 116.7(3) .
C223 C228 C235 123.4(3) .
C224 C229 C230 110.6(2) .
C224 C229 C231 113.2(2) .
C230 C229 C231 109.3(2) .
C224 C229 H229 107.9 .
C230 C229 H229 107.9 .
C231 C229 H229 107.9 .
C229 C230 H23D 109.5 .
C229 C230 H23E 109.5 .
H23D C230 H23E 109.5 .
C229 C230 H23F 109.5 .
H23D C230 H23F 109.5 .
H23E C230 H23F 109.5 .
C229 C231 H23G 109.5 .
C229 C231 H23H 109.5 .
H23G C231 H23H 109.5 .
C229 C231 H23I 109.5 .
H23G C231 H23I 109.5 .
H23H C231 H23I 109.5 .
C233 C232 C234 112.1(4) .
C233 C232 C226 111.1(4) .
C234 C232 C226 110.7(4) .
C233 C232 H232 107.5 .
C234 C232 H232 107.5 .
C226 C232 H232 107.5 .
C232 C233 H23J 109.5 .
C232 C233 H23K 109.5 .
H23J C233 H23K 109.5 .
C232 C233 H23L 109.5 .
H23J C233 H23L 109.5 .
H23K C233 H23L 109.5 .
C232 C234 H23M 109.5 .
C232 C234 H23N 109.5 .
H23M C234 H23N 109.5 .
C232 C234 H23O 109.5 .
H23M C234 H23O 109.5 .
H23N C234 H23O 109.5 .
C228 C235 C237 110.7(3) .
C228 C235 C236 112.6(3) .
C237 C235 C236 110.8(3) .
C228 C235 H235 107.5 .
C237 C235 H235 107.5 .
C236 C235 H235 107.5 .
C235 C236 H23P 109.5 .
C235 C236 H23Q 109.5 .
H23P C236 H23Q 109.5 .
C235 C236 H23R 109.5 .
H23P C236 H23R 109.5 .
H23Q C236 H23R 109.5 .
C235 C237 H23S 109.5 .
C235 C237 H23T 109.5 .
H23S C237 H23T 109.5 .
C235 C237 H23U 109.5 .
H23S C237 H23U 109.5 .
H23T C237 H23U 109.5 .
C239 C238 C243 117.3(2) .
C239 C238 Si18 117.6(2) .
C243 C238 Si18 125.11(19) .
C240 C239 C238 120.3(3) .
C240 C239 C244 115.8(2) .
C238 C239 C244 123.8(2) .
C241 C240 C239 122.4(3) .
C241 C240 H240 118.8 .
C239 C240 H240 118.8 .
C242 C241 C240 117.3(3) .
C242 C241 C247 122.5(3) .
C240 C241 C247 120.2(3) .
C241 C242 C243 122.6(3) .
C241 C242 H242 118.7 .
C243 C242 H242 118.7 .
C242 C243 C238 120.0(2) .
C242 C243 C250 116.4(2) .
C238 C243 C250 123.7(2) .
C239 C244 C245 112.6(3) .
C239 C244 C246 110.5(3) .
C245 C244 C246 112.0(3) .
C239 C244 H244 107.1 .
C245 C244 H244 107.1 .
C246 C244 H244 107.1 .
C244 C245 H24D 109.5 .
C244 C245 H24E 109.5 .
H24D C245 H24E 109.5 .
C244 C245 H24F 109.5 .
H24D C245 H24F 109.5 .
H24E C245 H24F 109.5 .
C244 C246 H24G 109.5 .
C244 C246 H24H 109.5 .
H24G C246 H24H 109.5 .
C244 C246 H24I 109.5 .
H24G C246 H24I 109.5 .
H24H C246 H24I 109.5 .
C249 C247 C248 110.2(4) .
C249 C247 C241 111.2(3) .
C248 C247 C241 113.7(3) .
C249 C247 H247 107.1 .
C248 C247 H247 107.1 .
C241 C247 H247 107.1 .
C247 C248 H24J 109.5 .
C247 C248 H24K 109.5 .
H24J C248 H24K 109.5 .
C247 C248 H24L 109.5 .
H24J C248 H24L 109.5 .
H24K C248 H24L 109.5 .
C247 C249 H24M 109.5 .
C247 C249 H24N 109.5 .
H24M C249 H24N 109.5 .
C247 C249 H24O 109.5 .
H24M C249 H24O 109.5 .
H24N C249 H24O 109.5 .
C252 C250 C243 111.4(2) .
C252 C250 C251 110.4(3) .
C243 C250 C251 112.0(2) .
C252 C250 H250 107.6 .
C243 C250 H250 107.6 .
C251 C250 H250 107.6 .
C250 C251 H25A 109.5 .
C250 C251 H25B 109.5 .
H25A C251 H25B 109.5 .
C250 C251 H25C 109.5 .
H25A C251 H25C 109.5 .
H25B C251 H25C 109.5 .
C250 C252 H25D 109.5 .
C250 C252 H25E 109.5 .
H25D C252 H25E 109.5 .
C250 C252 H25F 109.5 .
H25D C252 H25F 109.5 .
H25E C252 H25F 109.5 .
O4 Li5 Si11 127.3(3) .
O4 Li5 Si16 121.7(2) .
Si11 Li5 Si16 110.92(17) .
O4 Li5 Li8 162.0(3) .
Si11 Li5 Li8 57.35(14) .
Si16 Li5 Li8 58.19(14) .
O4 Li5 Li6 148.6(3) .
Si11 Li5 Li6 60.19(14) .
Si16 Li5 Li6 60.56(14) .
Li8 Li5 Li6 49.17(15) .
O5 Li6 Li8 175.2(3) .
O5 Li6 Si20 124.6(2) .
Li8 Li6 Si20 60.28(15) .
O5 Li6 Si11 115.8(2) .
Li8 Li6 Si11 59.39(15) .
Si20 Li6 Si11 119.66(17) .
O5 Li6 Si16 121.8(2) .
Li8 Li6 Si16 60.06(15) .
Si20 Li6 Si16 52.82(9) .
Si11 Li6 Si16 95.97(14) .
O5 Li6 Si15 120.0(2) .
Li8 Li6 Si15 57.86(15) .
Si20 Li6 Si15 95.54(15) .
Si11 Li6 Si15 50.77(9) .
Si16 Li6 Si15 117.91(16) .
O5 Li6 Li7 119.1(2) .
Li8 Li6 Li7 63.54(19) .
Si20 Li6 Li7 53.02(13) .
Si11 Li6 Li7 98.38(18) .
Si16 Li6 Li7 101.13(17) .
Si15 Li6 Li7 50.86(13) .
O5 Li6 Li5 114.0(2) .
Li8 Li6 Li5 63.11(19) .
Si20 Li6 Li5 100.02(17) .
Si11 Li6 Li5 51.65(13) .
Si16 Li6 Li5 51.62(13) .
Si15 Li6 Li5 97.68(18) .
Li7 Li6 Li5 126.6(2) .
O6 Li7 Si15 121.8(2) .
O6 Li7 Si20 126.0(3) .
Si15 Li7 Si20 111.01(17) .
O6 Li7 Li8 152.1(3) .
Si15 Li7 Li8 57.79(14) .
Si20 Li7 Li8 56.99(13) .
O6 Li7 Li6 158.3(3) .
Si15 Li7 Li6 63.78(15) .
Si20 Li7 Li6 58.60(14) .
Li8 Li7 Li6 49.60(15) .
Li6 Li8 Si20 64.93(17) .
Li6 Li8 Si11 66.99(17) .
Si20 Li8 Si11 131.9(2) .
Li6 Li8 Si15 70.06(17) .
Si20 Li8 Si15 105.83(17) .
Si11 Li8 Si15 55.77(10) .
Li6 Li8 Si16 66.86(17) .
Si20 Li8 Si16 55.84(10) .
Si11 Li8 Si16 104.64(17) .
Si15 Li8 Si16 136.9(2) .
Li6 Li8 Li7 66.9(2) .
Si20 Li8 Li7 54.95(14) .
Si11 Li8 Li7 104.81(19) .
Si15 Li8 Li7 54.30(14) .
Si16 Li8 Li7 107.35(19) .
Li6 Li8 Li5 67.7(2) .
Si20 Li8 Li5 105.7(2) .
Si11 Li8 Li5 54.47(14) .
Si15 Li8 Li5 107.57(19) .
Si16 Li8 Li5 54.27(14) .
Li7 Li8 Li5 134.5(2) .
C256 O4 C253 107.8(3) .
C256 O4 Li5 124.1(3) .
C253 O4 Li5 128.1(3) .
C260 O5 C257 109.5(2) .
C260 O5 Li6 131.3(2) .
C257 O5 Li6 119.2(2) .
C261 O6 C264 107.1(3) .
C261 O6 Li7 123.7(3) .
C264 O6 Li7 125.8(3) .
O4 C253 C254 105.1(4) .
O4 C253 H25G 110.7 .
C254 C253 H25G 110.7 .
O4 C253 H25H 110.7 .
C254 C253 H25H 110.7 .
H25G C253 H25H 108.8 .
C255 C254 C253 106.5(4) .
C255 C254 H25I 110.4 .
C253 C254 H25I 110.4 .
C255 C254 H25J 110.4 .
C253 C254 H25J 110.4 .
H25I C254 H25J 108.6 .
C256 C255 C254 110.2(5) .
C256 C255 H25K 109.6 .
C254 C255 H25K 109.6 .
C256 C255 H25L 109.6 .
C254 C255 H25L 109.6 .
H25K C255 H25L 108.1 .
C255 C256 O4 109.1(4) .
C255 C256 H25M 109.9 .
O4 C256 H25M 109.9 .
C255 C256 H25N 109.9 .
O4 C256 H25N 109.9 .
H25M C256 H25N 108.3 .
O5 C257 C258 104.9(3) .
O5 C257 H25O 110.8 .
C258 C257 H25O 110.8 .
O5 C257 H25P 110.8 .
C258 C257 H25P 110.8 .
H25O C257 H25P 108.8 .
C259 C258 C257 104.7(4) .
C259 C258 H25Q 110.8 .
C257 C258 H25Q 110.8 .
C259 C258 H25R 110.8 .
C257 C258 H25R 110.8 .
H25Q C258 H25R 108.9 .
C258 C259 C260 104.1(4) .
C258 C259 H25S 110.9 .
C260 C259 H25S 110.9 .
C258 C259 H25T 110.9 .
C260 C259 H25T 110.9 .
H25S C259 H25T 108.9 .
O5 C260 C259 104.9(3) .
O5 C260 H26D 110.8 .
C259 C260 H26D 110.8 .
O5 C260 H26E 110.8 .
C259 C260 H26E 110.8 .
H26D C260 H26E 108.8 .
O6 C261 C262 107.4(4) .
O6 C261 H26F 110.2 .
C262 C261 H26F 110.2 .
O6 C261 H26G 110.2 .
C262 C261 H26G 110.2 .
H26F C261 H26G 108.5 .
C261 C262 C263 105.2(4) .
C261 C262 H26H 110.7 .
C263 C262 H26H 110.7 .
C261 C262 H26I 110.7 .
C263 C262 H26I 110.7 .
H26H C262 H26I 108.8 .
C264 C263 C262 102.7(4) .
C264 C263 H26J 111.2 .
C262 C263 H26J 111.2 .
C264 C263 H26K 111.2 .
C262 C263 H26K 111.2 .
H26J C263 H26K 109.1 .
O6 C264 C263 104.7(3) .
O6 C264 H26L 110.8 .
C263 C264 H26L 110.8 .
O6 C264 H26M 110.8 .
C263 C264 H26M 110.8 .
H26L C264 H26M 108.9 .
C2_1 C1_1 H1A_1 109.5 .
C2_1 C1_1 H1B_1 109.5 .
H1A_1 C1_1 H1B_1 109.5 .
C2_1 C1_1 H1C_1 109.5 .
H1A_1 C1_1 H1C_1 109.5 .
H1B_1 C1_1 H1C_1 109.5 .
C3_1 C2_1 C1_1 113.6(9) .
C3_1 C2_1 H2A_1 108.8 .
C1_1 C2_1 H2A_1 108.8 .
C3_1 C2_1 H2B_1 108.8 .
C1_1 C2_1 H2B_1 108.8 .
H2A_1 C2_1 H2B_1 107.7 .
C2_1 C3_1 C4_1 118.0(10) .
C2_1 C3_1 H3A_1 107.8 .
C4_1 C3_1 H3A_1 107.8 .
C2_1 C3_1 H3B_1 107.8 .
C4_1 C3_1 H3B_1 107.8 .
H3A_1 C3_1 H3B_1 107.2 .
C5_1 C4_1 C3_1 113.8(10) .
C5_1 C4_1 H4A_1 108.8 .
C3_1 C4_1 H4A_1 108.8 .
C5_1 C4_1 H4B_1 108.8 .
C3_1 C4_1 H4B_1 108.8 .
H4A_1 C4_1 H4B_1 107.7 .
C4_1 C5_1 C6_1 125.0(11) .
C4_1 C5_1 H5A_1 106.1 .
C6_1 C5_1 H5A_1 106.1 .
C4_1 C5_1 H5B_1 106.1 .
C6_1 C5_1 H5B_1 106.1 .
H5A_1 C5_1 H5B_1 106.3 .
C5_1 C6_1 H6A_1 109.5 .
C5_1 C6_1 H6B_1 109.5 .
H6A_1 C6_1 H6B_1 109.5 .
C5_1 C6_1 H6C_1 109.5 .
H6A_1 C6_1 H6C_1 109.5 .
H6B_1 C6_1 H6C_1 109.5 .
C8_2 C7_2 H7A_2 109.5 .
C8_2 C7_2 H7B_2 109.5 .
H7A_2 C7_2 H7B_2 109.5 .
C8_2 C7_2 H7C_2 109.5 .
H7A_2 C7_2 H7C_2 109.5 .
H7B_2 C7_2 H7C_2 109.5 .
C7_2 C8_2 C9_2 107.6(10) .
C7_2 C8_2 H8A_2 110.2 .
C9_2 C8_2 H8A_2 110.2 .
C7_2 C8_2 H8B_2 110.2 .
C9_2 C8_2 H8B_2 110.2 .
H8A_2 C8_2 H8B_2 108.5 .
C10_2 C9_2 C8_2 112.2(11) .
C10_2 C9_2 H9A_2 109.2 .
C8_2 C9_2 H9A_2 109.2 .
C10_2 C9_2 H9B_2 109.2 .
C8_2 C9_2 H9B_2 109.2 .
H9A_2 C9_2 H9B_2 107.9 .
C11_2 C10_2 C9_2 118.2(12) .
C11_2 C10_2 H10A_2 107.8 .
C9_2 C10_2 H10A_2 107.8 .
C11_2 C10_2 H10B_2 107.8 .
C9_2 C10_2 H10B_2 107.8 .
H10A_2 C10_2 H10B_2 107.1 .
C10_2 C11_2 C12_2 137.8(12) .
C10_2 C11_2 H11A_2 102.7 .
C12_2 C11_2 H11A_2 102.7 .
C10_2 C11_2 H11B_2 102.7 .
C12_2 C11_2 H11B_2 102.7 .
H11A_2 C11_2 H11B_2 105.0 .
C11_2 C12_2 H12A_2 109.5 .
C11_2 C12_2 H12B_2 109.5 .
H12A_2 C12_2 H12B_2 109.5 .
C11_2 C12_2 H12C_2 109.5 .
H12A_2 C12_2 H12C_2 109.5 .
H12B_2 C12_2 H12C_2 109.5 .
C14_3 C13_3 H13A_3 109.5 .
C14_3 C13_3 H13B_3 109.5 .
H13A_3 C13_3 H13B_3 109.5 .
C14_3 C13_3 H13C_3 109.5 .
H13A_3 C13_3 H13C_3 109.5 .
H13B_3 C13_3 H13C_3 109.5 .
C13_3 C14_3 C15_3 105.0(10) .
C13_3 C14_3 H14A_3 110.7 .
C15_3 C14_3 H14A_3 110.7 .
C13_3 C14_3 H14B_3 110.7 .
C15_3 C14_3 H14B_3 110.7 .
H14A_3 C14_3 H14B_3 108.8 .
C15_3 C15_3 C14_3 108.0(14) 2_576
C15_3 C15_3 H15A_3 110.1 2_576
C14_3 C15_3 H15A_3 110.1 .
C15_3 C15_3 H15B_3 110.1 2_576
C14_3 C15_3 H15B_3 110.1 .
H15A_3 C15_3 H15B_3 108.4 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 Si2 2.3284(12) .
Si1 Si4 2.3471(12) .
Si1 Si5 2.5721(12) .
Si1 Li1 2.633(6) .
Si1 Li4 2.758(6) .
Si1 Li2 3.021(6) .
Si2 C16 1.910(3) .
Si2 Si3 2.3538(11) .
Si2 Si5 2.3569(12) .
Si2 Si4 2.8082(11) .
Si3 C46 1.926(3) .
Si3 C31 1.927(3) .
Si3 Si4 2.3510(10) .
Si4 C1 1.906(3) .
Si4 Si5 2.3546(11) .
Si5 Li3 2.650(6) .
Si5 Li4 2.711(5) .
Si5 Li2 2.886(6) .
Si6 Si9 2.3440(11) .
Si6 Si7 2.3624(12) .
Si6 Si10 2.5751(12) .
Si6 Li1 2.648(6) .
Si6 Li4 2.720(5) .
Si6 Li2 2.851(5) .
Si7 C76 1.915(3) .
Si7 Si10 2.3200(12) .
Si7 Si8 2.3465(10) .
Si7 Si9 2.8103(11) .
Si8 C91 1.928(3) .
Si8 C106 1.933(3) .
Si8 Si9 2.3563(10) .
Si9 C61 1.913(3) .
Si9 Si10 2.3606(11) .
Si10 Li3 2.642(5) .
Si10 Li4 2.739(5) .
Si10 Li2 2.991(6) .
C1 C2 1.415(5) .
C1 C6 1.422(5) .
C2 C3 1.387(4) .
C2 C7 1.501(5) .
C3 C4 1.380(6) .
C3 H3 0.9500 .
C4 C5 1.378(6) .
C4 C10 1.534(5) .
C5 C6 1.403(5) .
C5 H5 0.9500 .
C6 C13 1.518(5) .
C7 C8 1.522(5) .
C7 C9 1.538(6) .
C7 H7 1.0000 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C11 1.409(8) .
C10 C12 1.515(7) .
C10 H10 1.0000 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C14 1.520(5) .
C13 C15 1.537(5) .
C13 H13 1.0000 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 C21 1.412(5) .
C16 C17 1.416(5) .
C17 C18 1.398(5) .
C17 C22 1.510(6) .
C18 C19 1.363(6) .
C18 H18 0.9500 .
C19 C20 1.391(6) .
C19 C25 1.543(6) .
C20 C21 1.406(5) .
C20 H20 0.9500 .
C21 C28 1.511(5) .
C22 C23 1.533(6) .
C22 C24 1.536(6) .
C22 H22 1.0000 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C26 1.500(8) .
C25 C27 1.523(8) .
C25 H25 1.0000 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 C29 1.540(5) .
C28 C30 1.542(5) .
C28 H28 1.0000 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 C32 1.409(4) .
C31 C36 1.417(4) .
C32 C33 1.389(4) .
C32 C37 1.524(4) .
C33 C34 1.379(4) .
C33 H33 0.9500 .
C34 C35 1.374(4) .
C34 C40 1.523(4) .
C35 C36 1.398(4) .
C35 H35 0.9500 .
C36 C43 1.524(4) .
C37 C38 1.526(5) .
C37 C39 1.534(5) .
C37 H37 1.0000 .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C40 C42 1.510(5) .
C40 C41 1.530(6) .
C40 H40 1.0000 .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
C43 C44 1.529(4) .
C43 C45 1.532(4) .
C43 H43 1.0000 .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C45 H45A 0.9800 .
C45 H45B 0.9800 .
C45 H45C 0.9800 .
C46 C47 1.414(4) .
C46 C51 1.423(4) .
C47 C48 1.395(4) .
C47 C52 1.520(4) .
C48 C49 1.377(5) .
C48 H48 0.9500 .
C49 C50 1.378(5) .
C49 C55 1.529(5) .
C50 C51 1.395(4) .
C50 H50 0.9500 .
C51 C58 1.511(5) .
C52 C54 1.527(5) .
C52 C53 1.530(5) .
C52 H52 1.0000 .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
C55 C57 1.505(7) .
C55 C56 1.509(7) .
C55 H55 1.0000 .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 H57C 0.9800 .
C58 C60 1.539(5) .
C58 C59 1.542(5) .
C58 H58 1.0000 .
C59 H59A 0.9800 .
C59 H59B 0.9800 .
C59 H59C 0.9800 .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C61 C66 1.414(4) .
C61 C62 1.418(4) .
C62 C63 1.386(4) .
C62 C67 1.517(4) .
C63 C64 1.377(4) .
C63 H63 0.9500 .
C64 C65 1.373(5) .
C64 C70 1.529(4) .
C65 C66 1.404(4) .
C65 H65 0.9500 .
C66 C73 1.510(4) .
C67 C69 1.527(4) .
C67 C68 1.528(4) .
C67 H67 1.0000 .
C68 H68A 0.9800 .
C68 H68B 0.9800 .
C68 H68C 0.9800 .
C69 H69A 0.9800 .
C69 H69B 0.9800 .
C69 H69C 0.9800 .
C70 C71 1.516(5) .
C70 C72 1.523(5) .
C70 H70 1.0000 .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 H71C 0.9800 .
C72 H72A 0.9800 .
C72 H72B 0.9800 .
C72 H72C 0.9800 .
C73 C75 1.510(5) .
C73 C74 1.534(5) .
C73 H73 1.0000 .
C74 H74A 0.9800 .
C74 H74B 0.9800 .
C74 H74C 0.9800 .
C75 H75A 0.9800 .
C75 H75B 0.9800 .
C75 H75C 0.9800 .
C76 C81 1.400(5) .
C76 C77 1.420(5) .
C77 C78 1.391(5) .
C77 C82 1.504(6) .
C78 C79 1.347(7) .
C78 H78 0.9500 .
C79 C80 1.389(7) .
C79 C85 1.541(6) .
C80 C81 1.396(5) .
C80 H80 0.9500 .
C81 C88 1.532(5) .
C82 C84 1.533(5) .
C82 C83 1.541(5) .
C82 H82 1.0000 .
C83 H83A 0.9800 .
C83 H83B 0.9800 .
C83 H83C 0.9800 .
C84 H84A 0.9800 .
C84 H84B 0.9800 .
C84 H84C 0.9800 .
C85 C87 1.472(9) .
C85 C86 1.482(8) .
C85 H85 1.0000 .
C86 H86A 0.9800 .
C86 H86B 0.9800 .
C86 H86C 0.9800 .
C87 H87A 0.9800 .
C87 H87B 0.9800 .
C87 H87C 0.9800 .
C88 C90 1.512(6) .
C88 C89 1.533(5) .
C88 H88 1.0000 .
C89 H89A 0.9800 .
C89 H89B 0.9800 .
C89 H89C 0.9800 .
C90 H90A 0.9800 .
C90 H90B 0.9800 .
C90 H90C 0.9800 .
C91 C92 1.413(4) .
C91 C96 1.418(4) .
C92 C93 1.389(5) .
C92 C97 1.520(4) .
C93 C94 1.386(5) .
C93 H93 0.9500 .
C94 C95 1.378(5) .
C94 C100 1.510(5) .
C95 C96 1.389(4) .
C95 H95 0.9500 .
C96 C103 1.525(4) .
C97 C98 1.518(5) .
C97 C99 1.530(4) .
C97 H97 1.0000 .
C98 H98A 0.9800 .
C98 H98B 0.9800 .
C98 H98C 0.9800 .
C99 H99A 0.9800 .
C99 H99B 0.9800 .
C99 H99C 0.9800 .
C100 C1A2 1.467(6) .
C100 C1B1 1.473(9) .
C100 C1B2 1.480(9) .
C100 C1A1 1.498(7) .
C100 H1A0 1.0000 .
C100 H1B0 1.0000 .
C1A1 H1A1 0.9800 .
C1A1 H1A2 0.9800 .
C1A1 H1A3 0.9800 .
C1A2 H1A4 0.9800 .
C1A2 H1A5 0.9800 .
C1A2 H1A6 0.9800 .
C1B1 H1B1 0.9800 .
C1B1 H1B2 0.9800 .
C1B1 H1B3 0.9800 .
C1B2 H1B4 0.9800 .
C1B2 H1B5 0.9800 .
C1B2 H1B6 0.9800 .
C103 C104 1.530(4) .
C103 C105 1.532(4) .
C103 H103 1.0000 .
C104 H10A 0.9800 .
C104 H10B 0.9800 .
C104 H10C 0.9800 .
C105 H10D 0.9800 .
C105 H10E 0.9800 .
C105 H10F 0.9800 .
C106 C111 1.421(5) .
C106 C107 1.423(4) .
C107 C108 1.402(5) .
C107 C112 1.519(5) .
C108 C109 1.372(6) .
C108 H108 0.9500 .
C109 C110 1.385(6) .
C109 C115 1.524(5) .
C110 C111 1.390(4) .
C110 H110 0.9500 .
C111 C118 1.514(5) .
C112 C113 1.526(5) .
C112 C114 1.540(5) .
C112 H112 1.0000 .
C113 H11D 0.9800 .
C113 H11E 0.9800 .
C113 H11F 0.9800 .
C114 H11G 0.9800 .
C114 H11H 0.9800 .
C114 H11I 0.9800 .
C115 C1B7 1.432(7) .
C115 C1B6 1.433(7) .
C115 C1A7 1.448(8) .
C115 C1A6 1.463(8) .
C115 H1AA 1.0000 .
C115 H1BA 1.0000 .
C1A6 H1A7 0.9800 .
C1A6 H1A8 0.9800 .
C1A6 H1A9 0.9800 .
C1A7 H1AX 0.9800 .
C1A7 H1AY 0.9800 .
C1A7 H1AZ 0.9800 .
C1B6 H1B7 0.9800 .
C1B6 H1B8 0.9800 .
C1B6 H1B9 0.9800 .
C1B7 H1BX 0.9800 .
C1B7 H1BY 0.9800 .
C1B7 H1BZ 0.9800 .
C118 C120 1.529(5) .
C118 C119 1.532(5) .
C118 H118 1.0000 .
C119 H11J 0.9800 .
C119 H11K 0.9800 .
C119 H11L 0.9800 .
C120 H12D 0.9800 .
C120 H12E 0.9800 .
C120 H12F 0.9800 .
Li1 O1 1.872(7) .
Li1 Li4 3.067(8) .
Li1 Li2 3.139(9) .
Li2 O2 1.914(6) .
Li2 Li4 2.571(7) .
Li2 Li3 3.118(9) .
Li3 O3 1.870(6) .
Li3 Li4 2.993(8) .
O1 C121 1.392(5) .
O1 C124 1.417(6) .
O2 C125 1.441(5) .
O2 C128 1.446(4) .
O3 C129 1.431(4) .
O3 C132 1.433(5) .
C121 C122 1.460(5) .
C121 H12G 0.9900 .
C121 H12H 0.9900 .
C122 C123 1.465(5) .
C122 H12I 0.9900 .
C122 H12J 0.9900 .
C123 C124 1.387(6) .
C123 H12K 0.9900 .
C123 H12L 0.9900 .
C124 H12M 0.9900 .
C124 H12N 0.9900 .
C125 C126 1.504(7) .
C125 H12O 0.9900 .
C125 H12P 0.9900 .
C126 C127 1.404(8) .
C126 H12Q 0.9900 .
C126 H12R 0.9900 .
C127 C128 1.494(6) .
C127 H12S 0.9900 .
C127 H12T 0.9900 .
C128 H12U 0.9900 .
C128 H12V 0.9900 .
C129 C130 1.488(8) .
C129 H12W 0.9900 .
C129 H12$ 0.9900 .
C130 C131 1.451(10) .
C130 H13A 0.9900 .
C130 H13B 0.9900 .
C131 C132 1.441(8) .
C131 H13C 0.9900 .
C131 H13D 0.9900 .
C132 H13E 0.9900 .
C132 H13F 0.9900 .
Si11 Si14 2.3458(12) .
Si11 Si12 2.3575(11) .
Si11 Si15 2.5676(11) .
Si11 Li5 2.648(5) .
Si11 Li8 2.739(5) .
Si11 Li6 2.930(5) .
Si12 C148 1.909(3) .
Si12 Si15 2.3287(11) .
Si12 Si13 2.3474(12) .
Si12 Si14 2.8132(12) .
Si13 C178 1.932(3) .
Si13 C163 1.933(3) .
Si13 Si14 2.3554(11) .
Si14 C133 1.914(3) .
Si14 Si15 2.3589(12) .
Si15 Li7 2.640(5) .
Si15 Li8 2.751(5) .
Si15 Li6 3.054(5) .
Si16 Si17 2.3329(10) .
Si16 Si19 2.3585(10) .
Si16 Si20 2.5761(10) .
Si16 Li5 2.653(5) .
Si16 Li8 2.778(5) .
Si16 Li6 2.947(5) .
Si17 C208 1.909(3) .
Si17 Si20 2.3565(10) .
Si17 Si18 2.3600(10) .
Si17 Si19 2.8077(10) .
Si18 C238 1.929(3) .
Si18 C223 1.934(3) .
Si18 Si19 2.3629(10) .
Si19 C193 1.903(3) .
Si19 Si20 2.3377(9) .
Si20 Li7 2.659(5) .
Si20 Li8 2.723(5) .
Si20 Li6 2.841(5) .
C133 C134 1.413(4) .
C133 C138 1.414(4) .
C134 C135 1.396(5) .
C134 C139 1.517(5) .
C135 C136 1.380(5) .
C135 H135 0.9500 .
C136 C137 1.369(6) .
C136 C142 1.526(6) .
C137 C138 1.383(5) .
C137 H137 0.9500 .
C138 C145 1.512(5) .
C139 C140 1.526(5) .
C139 C141 1.529(5) .
C139 H139 1.0000 .
C140 H14D 0.9800 .
C140 H14E 0.9800 .
C140 H14F 0.9800 .
C141 H14G 0.9800 .
C141 H14H 0.9800 .
C141 H14I 0.9800 .
C142 C144 1.353(8) .
C142 C143 1.453(6) .
C142 H142 1.0000 .
C143 H14J 0.9800 .
C143 H14K 0.9800 .
C143 H14L 0.9800 .
C144 H14M 0.9800 .
C144 H14N 0.9800 .
C144 H14O 0.9800 .
C145 C146 1.518(5) .
C145 C147 1.534(5) .
C145 H145 1.0000 .
C146 H14P 0.9800 .
C146 H14Q 0.9800 .
C146 H14R 0.9800 .
C147 H14S 0.9800 .
C147 H14T 0.9800 .
C147 H14U 0.9800 .
C148 C153 1.403(5) .
C148 C149 1.420(5) .
C149 C150 1.393(7) .
C149 C154 1.495(6) .
C150 C151 1.348(9) .
C150 H150 0.9500 .
C151 C152 1.374(8) .
C151 C157 1.565(9) .
C152 C153 1.400(6) .
C152 H152 0.9500 .
C153 C160 1.525(5) .
C154 C155 1.528(6) .
C154 C156 1.537(6) .
C154 H154 1.0000 .
C155 H15D 0.9800 .
C155 H15E 0.9800 .
C155 H15F 0.9800 .
C156 H15G 0.9800 .
C156 H15H 0.9800 .
C156 H15I 0.9800 .
C157 C0B8 1.448(11) .
C157 C159 1.450(9) .
C157 C0A8 1.476(9) .
C157 HA57 1.0000 .
C157 HB57 1.0000 .
C0A8 H0A1 0.9800 .
C0A8 H0A2 0.9800 .
C0A8 H0A3 0.9800 .
C0B8 H0B1 0.9800 .
C0B8 H0B2 0.9800 .
C0B8 H0B3 0.9800 .
C159 H15J 0.9800 .
C159 H15K 0.9800 .
C159 H15L 0.9800 .
C160 C161 1.522(5) .
C160 C162 1.540(5) .
C160 H160 1.0000 .
C161 H16A 0.9800 .
C161 H16B 0.9800 .
C161 H16C 0.9800 .
C162 H16D 0.9800 .
C162 H16E 0.9800 .
C162 H16F 0.9800 .
C163 C164 1.405(5) .
C163 C168 1.427(5) .
C164 C165 1.407(5) .
C164 C169 1.510(6) .
C165 C166 1.364(7) .
C165 H165 0.9500 .
C166 C167 1.364(8) .
C166 C7A2 1.582(8) .
C166 C7B2 1.609(10) .
C167 C168 1.410(6) .
C167 H167 0.9500 .
C168 C175 1.494(6) .
C169 C170 1.519(5) .
C169 C171 1.536(5) .
C169 H169 1.0000 .
C170 H17A 0.9800 .
C170 H17B 0.9800 .
C170 H17C 0.9800 .
C171 H17D 0.9800 .
C171 H17E 0.9800 .
C171 H17F 0.9800 .
C7A2 C7A4 1.408(9) .
C7A2 C7A3 1.425(9) .
C7A2 H7A2 1.0000 .
C7A3 H7A1 0.9800 .
C7A3 H7A3 0.9800 .
C7A3 H7A4 0.9800 .
C7A4 H7A5 0.9800 .
C7A4 H7A6 0.9800 .
C7A4 H7A7 0.9800 .
C7B2 C7B3 1.406(10) .
C7B2 C7B4 1.417(10) .
C7B2 H7B2 1.0000 .
C7B3 H7B1 0.9800 .
C7B3 H7B3 0.9800 .
C7B3 H7B4 0.9800 .
C7B4 H7B5 0.9800 .
C7B4 H7B6 0.9800 .
C7B4 H7B7 0.9800 .
C175 C176 1.538(6) .
C175 C177 1.546(5) .
C175 H175 1.0000 .
C176 H17G 0.9800 .
C176 H17H 0.9800 .
C176 H17I 0.9800 .
C177 H17J 0.9800 .
C177 H17K 0.9800 .
C177 H17L 0.9800 .
C178 C179 1.408(5) .
C178 C183 1.421(5) .
C179 C180 1.395(5) .
C179 C184 1.520(5) .
C180 C181 1.372(5) .
C180 H180 0.9500 .
C181 C182 1.369(6) .
C181 C187 1.530(5) .
C182 C183 1.394(5) .
C182 H182 0.9500 .
C183 C190 1.520(5) .
C184 C185 1.527(6) .
C184 C186 1.534(6) .
C184 H184 1.0000 .
C185 H18A 0.9800 .
C185 H18B 0.9800 .
C185 H18C 0.9800 .
C186 H18D 0.9800 .
C186 H18E 0.9800 .
C186 H18F 0.9800 .
C187 C189 1.398(7) .
C187 C188 1.449(7) .
C187 H187 1.0000 .
C188 H18G 0.9800 .
C188 H18H 0.9800 .
C188 H18I 0.9800 .
C189 H18J 0.9800 .
C189 H18K 0.9800 .
C189 H18L 0.9800 .
C190 C192 1.528(5) .
C190 C191 1.537(6) .
C190 H190 1.0000 .
C191 H19A 0.9800 .
C191 H19B 0.9800 .
C191 H19C 0.9800 .
C192 H19D 0.9800 .
C192 H19E 0.9800 .
C192 H19F 0.9800 .
C193 C194 1.416(3) .
C193 C198 1.421(4) .
C194 C195 1.391(4) .
C194 C199 1.521(4) .
C195 C196 1.381(4) .
C195 H195 0.9500 .
C196 C197 1.380(4) .
C196 C202 1.518(4) .
C197 C198 1.390(4) .
C197 H197 0.9500 .
C198 C205 1.514(4) .
C199 C201 1.522(4) .
C199 C200 1.527(4) .
C199 H199 1.0000 .
C200 H20A 0.9800 .
C200 H20B 0.9800 .
C200 H20C 0.9800 .
C201 H20D 0.9800 .
C201 H20E 0.9800 .
C201 H20F 0.9800 .
C202 C203 1.521(5) .
C202 C204 1.523(6) .
C202 H202 1.0000 .
C203 H20G 0.9800 .
C203 H20H 0.9800 .
C203 H20I 0.9800 .
C204 H20J 0.9800 .
C204 H20K 0.9800 .
C204 H20L 0.9800 .
C205 C207 1.518(5) .
C205 C206 1.522(4) .
C205 H205 1.0000 .
C206 H20M 0.9800 .
C206 H20N 0.9800 .
C206 H20O 0.9800 .
C207 H20P 0.9800 .
C207 H20Q 0.9800 .
C207 H20R 0.9800 .
C208 C209 1.414(3) .
C208 C213 1.422(4) .
C209 C210 1.394(4) .
C209 C214 1.527(4) .
C210 C211 1.377(4) .
C210 H210 0.9500 .
C211 C212 1.383(4) .
C211 C217 1.521(4) .
C212 C213 1.387(4) .
C212 H212 0.9500 .
C213 C220 1.519(4) .
C214 C215 1.521(4) .
C214 C216 1.533(4) .
C214 H214 1.0000 .
C215 H21A 0.9800 .
C215 H21B 0.9800 .
C215 H21C 0.9800 .
C216 H21D 0.9800 .
C216 H21E 0.9800 .
C216 H21F 0.9800 .
C217 C219 1.522(4) .
C217 C218 1.529(4) .
C217 H217 1.0000 .
C218 H21G 0.9800 .
C218 H21H 0.9800 .
C218 H21I 0.9800 .
C219 H21J 0.9800 .
C219 H21K 0.9800 .
C219 H21L 0.9800 .
C220 C221 1.518(4) .
C220 C222 1.527(4) .
C220 H220 1.0000 .
C221 H22A 0.9800 .
C221 H22B 0.9800 .
C221 H22C 0.9800 .
C222 H22D 0.9800 .
C222 H22E 0.9800 .
C222 H22F 0.9800 .
C223 C228 1.414(4) .
C223 C224 1.418(4) .
C224 C225 1.391(4) .
C224 C229 1.514(4) .
C225 C226 1.380(4) .
C225 H225 0.9500 .
C226 C227 1.367(4) .
C226 C232 1.536(5) .
C227 C228 1.396(4) .
C227 H227 0.9500 .
C228 C235 1.525(4) .
C229 C230 1.526(4) .
C229 C231 1.527(4) .
C229 H229 1.0000 .
C230 H23D 0.9800 .
C230 H23E 0.9800 .
C230 H23F 0.9800 .
C231 H23G 0.9800 .
C231 H23H 0.9800 .
C231 H23I 0.9800 .
C232 C233 1.509(7) .
C232 C234 1.529(7) .
C232 H232 1.0000 .
C233 H23J 0.9800 .
C233 H23K 0.9800 .
C233 H23L 0.9800 .
C234 H23M 0.9800 .
C234 H23N 0.9800 .
C234 H23O 0.9800 .
C235 C237 1.531(5) .
C235 C236 1.532(5) .
C235 H235 1.0000 .
C236 H23P 0.9800 .
C236 H23Q 0.9800 .
C236 H23R 0.9800 .
C237 H23S 0.9800 .
C237 H23T 0.9800 .
C237 H23U 0.9800 .
C238 C239 1.412(4) .
C238 C243 1.415(4) .
C239 C240 1.394(4) .
C239 C244 1.526(4) .
C240 C241 1.382(4) .
C240 H240 0.9500 .
C241 C242 1.378(4) .
C241 C247 1.520(4) .
C242 C243 1.399(4) .
C242 H242 0.9500 .
C243 C250 1.521(4) .
C244 C245 1.528(5) .
C244 C246 1.538(5) .
C244 H244 1.0000 .
C245 H24D 0.9800 .
C245 H24E 0.9800 .
C245 H24F 0.9800 .
C246 H24G 0.9800 .
C246 H24H 0.9800 .
C246 H24I 0.9800 .
C247 C249 1.501(6) .
C247 C248 1.501(6) .
C247 H247 1.0000 .
C248 H24J 0.9800 .
C248 H24K 0.9800 .
C248 H24L 0.9800 .
C249 H24M 0.9800 .
C249 H24N 0.9800 .
C249 H24O 0.9800 .
C250 C252 1.521(4) .
C250 C251 1.534(4) .
C250 H250 1.0000 .
C251 H25A 0.9800 .
C251 H25B 0.9800 .
C251 H25C 0.9800 .
C252 H25D 0.9800 .
C252 H25E 0.9800 .
C252 H25F 0.9800 .
Li5 O4 1.871(5) .
Li5 Li8 3.020(7) .
Li5 Li6 3.134(7) .
Li6 O5 1.881(5) .
Li6 Li8 2.563(7) .
Li6 Li7 3.094(7) .
Li7 O6 1.867(5) .
Li7 Li8 3.012(7) .
O4 C256 1.408(4) .
O4 C253 1.410(5) .
O5 C260 1.448(4) .
O5 C257 1.454(4) .
O6 C261 1.417(5) .
O6 C264 1.438(4) .
C253 C254 1.498(7) .
C253 H25G 0.9900 .
C253 H25H 0.9900 .
C254 C255 1.374(8) .
C254 H25I 0.9900 .
C254 H25J 0.9900 .
C255 C256 1.370(7) .
C255 H25K 0.9900 .
C255 H25L 0.9900 .
C256 H25M 0.9900 .
C256 H25N 0.9900 .
C257 C258 1.505(5) .
C257 H25O 0.9900 .
C257 H25P 0.9900 .
C258 C259 1.458(7) .
C258 H25Q 0.9900 .
C258 H25R 0.9900 .
C259 C260 1.499(5) .
C259 H25S 0.9900 .
C259 H25T 0.9900 .
C260 H26D 0.9900 .
C260 H26E 0.9900 .
C261 C262 1.482(7) .
C261 H26F 0.9900 .
C261 H26G 0.9900 .
C262 C263 1.492(7) .
C262 H26H 0.9900 .
C262 H26I 0.9900 .
C263 C264 1.472(6) .
C263 H26J 0.9900 .
C263 H26K 0.9900 .
C264 H26L 0.9900 .
C264 H26M 0.9900 .
C1_1 C2_1 1.495(7) .
C1_1 H1A_1 0.9800 .
C1_1 H1B_1 0.9800 .
C1_1 H1C_1 0.9800 .
C2_1 C3_1 1.437(7) .
C2_1 H2A_1 0.9900 .
C2_1 H2B_1 0.9900 .
C3_1 C4_1 1.492(7) .
C3_1 H3A_1 0.9900 .
C3_1 H3B_1 0.9900 .
C4_1 C5_1 1.379(7) .
C4_1 H4A_1 0.9900 .
C4_1 H4B_1 0.9900 .
C5_1 C6_1 1.473(7) .
C5_1 H5A_1 0.9900 .
C5_1 H5B_1 0.9900 .
C6_1 H6A_1 0.9800 .
C6_1 H6B_1 0.9800 .
C6_1 H6C_1 0.9800 .
C7_2 C8_2 1.474(7) .
C7_2 H7A_2 0.9800 .
C7_2 H7B_2 0.9800 .
C7_2 H7C_2 0.9800 .
C8_2 C9_2 1.489(8) .
C8_2 H8A_2 0.9900 .
C8_2 H8B_2 0.9900 .
C9_2 C10_2 1.471(7) .
C9_2 H9A_2 0.9900 .
C9_2 H9B_2 0.9900 .
C10_2 C11_2 1.414(7) .
C10_2 H10A_2 0.9900 .
C10_2 H10B_2 0.9900 .
C11_2 C12_2 1.453(7) .
C11_2 H11A_2 0.9900 .
C11_2 H11B_2 0.9900 .
C12_2 H12A_2 0.9800 .
C12_2 H12B_2 0.9800 .
C12_2 H12C_2 0.9800 .
C13_3 C14_3 1.432(16) .
C13_3 H13A_3 0.9800 .
C13_3 H13B_3 0.9800 .
C13_3 H13C_3 0.9800 .
C14_3 C15_3 1.649(16) .
C14_3 H14A_3 0.9900 .
C14_3 H14B_3 0.9900 .
C15_3 C15_3 1.32(2) 2_576
C15_3 H15A_3 0.9900 .
C15_3 H15B_3 0.9900 .
