#------------------------------------------------------------------------------
#$Date: 2021-05-14 12:18:56 +0300 (Fri, 14 May 2021) $
#$Revision: 265214 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/03/4130326.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_4130326
loop_
_publ_author_name
'Kaese, Thomas'
'Hübner, Alexander'
'Bolte, Michael'
'Lerner, Hans-Wolfram'
'Wagner, Matthias'
_publ_section_title
;
 Forming B-B Bonds by the Controlled Reduction of a Tetraaryl-diborane(6).
;
_journal_issue                   19
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6224
_journal_page_last               6233
_journal_paper_doi               10.1021/jacs.6b02303
_journal_volume                  138
_journal_year                    2016
_chemical_formula_moiety         'C92 H124 B4 Li4 O3'
_chemical_formula_sum            'C92 H124 B4 Li4 O3'
_chemical_formula_weight         1348.90
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                90
_cell_angle_beta                 113.952(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   28.292(3)
_cell_length_b                   10.6612(8)
_cell_length_c                   30.648(3)
_cell_measurement_reflns_used    13617
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      23.3
_cell_measurement_theta_min      1.5
_cell_volume                     8448.2(14)
_computing_cell_refinement       'X-Area (Stoe & Cie, 2001)'
_computing_data_collection       'X-Area (Stoe & Cie, 2001)'
_computing_data_reduction        'X-Area (Stoe & Cie, 2001)'
_computing_molecular_graphics    'XP in SHELXTL-Plus (Sheldrick, 2008)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'STOE IPDS II two-circle-diffractometer'
_diffrn_measurement_method       ω
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1041
_diffrn_reflns_av_unetI/netI     0.0915
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            29211
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_min         1.454
_diffrn_source                   'Genix 3D I\mS microfocus X-ray source'
_exptl_absorpt_coefficient_mu    0.060
_exptl_absorpt_correction_T_max  0.985
_exptl_absorpt_correction_T_min  0.981
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'X-Area (Stoe & Cie, 2001)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.061
_exptl_crystal_description       rod
_exptl_crystal_F_000             2928
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.229
_refine_diff_density_min         -0.179
_refine_diff_density_rms         0.039
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.152
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     474
_refine_ls_number_reflns         7463
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.152
_refine_ls_R_factor_all          0.1899
_refine_ls_R_factor_gt           0.0799
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0400P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1555
_refine_ls_wR_factor_ref         0.1830
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2963
_reflns_number_total             7463
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja6b02303_si_002.cif
_cod_data_source_block           wa1934
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4130326
_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   0.985
_shelx_estimated_absorpt_t_max   0.993
_shelxl_version_number           2014-1
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Li1 Li 0.5000 1.0260(13) 0.2500 0.116(4) Uani 1 2 d S T P
Li2 Li 0.4373(3) 0.7897(8) 0.0963(2) 0.096(2) Uani 1 1 d . . .
Li3 Li 0.5000 0.7671(10) 0.2500 0.091(3) Uani 1 2 d S T P
B1 B 0.48995(18) 0.7226(5) 0.17299(17) 0.0817(15) Uani 1 1 d . . .
H1 H 0.5214(12) 0.685(3) 0.2140(12) 0.092(11) Uiso 1 1 d . . .
C1 C 0.43903(14) 0.6336(4) 0.15507(13) 0.0792(12) Uani 1 1 d . . .
C2 C 0.43681(15) 0.5550(4) 0.11681(13) 0.0782(12) Uani 1 1 d . . .
C3 C 0.39652(16) 0.4732(4) 0.09587(14) 0.0874(13) Uani 1 1 d . . .
H3 H 0.3951 0.4226 0.0699 0.105 Uiso 1 1 calc R U .
C4 C 0.35768(15) 0.4640(4) 0.11248(14) 0.0895(13) Uani 1 1 d . . .
H4 H 0.3305 0.4054 0.0980 0.107 Uiso 1 1 calc R U .
C5 C 0.35756(14) 0.5371(4) 0.14925(14) 0.0816(12) Uani 1 1 d . . .
C6 C 0.39714(15) 0.6249(4) 0.16873(14) 0.0856(13) Uani 1 1 d . . .
H6 H 0.3959 0.6813 0.1922 0.103 Uiso 1 1 calc R U .
C7 C 0.31459(16) 0.5289(5) 0.16805(14) 0.0850(13) Uani 1 1 d . . .
C8 C 0.33892(16) 0.5237(5) 0.22318(13) 0.1091(16) Uani 1 1 d . . .
H8A H 0.3605 0.5980 0.2359 0.164 Uiso 1 1 calc R U .
H8B H 0.3602 0.4480 0.2338 0.164 Uiso 1 1 calc R U .
H8C H 0.3114 0.5216 0.2349 0.164 Uiso 1 1 calc R U .
C9 C 0.28073(17) 0.4152(5) 0.14927(15) 0.1121(17) Uani 1 1 d . . .
H9A H 0.3018 0.3391 0.1598 0.168 Uiso 1 1 calc R U .
H9B H 0.2647 0.4179 0.1143 0.168 Uiso 1 1 calc R U .
H9C H 0.2537 0.4145 0.1615 0.168 Uiso 1 1 calc R U .
C10 C 0.28169(17) 0.6471(5) 0.15173(16) 0.1214(18) Uani 1 1 d . . .
H10A H 0.3036 0.7212 0.1641 0.182 Uiso 1 1 calc R U .
H10B H 0.2545 0.6458 0.1638 0.182 Uiso 1 1 calc R U .
H10C H 0.2659 0.6502 0.1168 0.182 Uiso 1 1 calc R U .
C11 C 0.51288(14) 0.6739(4) 0.13467(13) 0.0769(12) Uani 1 1 d . . .
C12 C 0.48267(14) 0.5771(4) 0.10594(13) 0.0773(12) Uani 1 1 d . . .
C13 C 0.49562(14) 0.5176(4) 0.07162(13) 0.0846(12) Uani 1 1 d . . .
H13 H 0.4748 0.4518 0.0525 0.102 Uiso 1 1 calc R U .
C14 C 0.53981(15) 0.5573(5) 0.06620(14) 0.0927(14) Uani 1 1 d . . .
H14 H 0.5492 0.5170 0.0433 0.111 Uiso 1 1 calc R U .
C15 C 0.57058(15) 0.6545(4) 0.09347(14) 0.0835(12) Uani 1 1 d . . .
C16 C 0.55717(14) 0.7117(4) 0.12820(13) 0.0838(13) Uani 1 1 d . . .
H16 H 0.5783 0.7768 0.1475 0.101 Uiso 1 1 calc R U .
C17 C 0.62025(16) 0.6995(5) 0.08854(15) 0.0907(14) Uani 1 1 d . . .
C18 C 0.62271(16) 0.6496(5) 0.04282(15) 0.1270(19) Uani 1 1 d . . .
H18A H 0.5929 0.6806 0.0151 0.190 Uiso 1 1 calc R U .
H18B H 0.6221 0.5577 0.0431 0.190 Uiso 1 1 calc R U .
H18C H 0.6547 0.6784 0.0409 0.190 Uiso 1 1 calc R U .
C19 C 0.66620(16) 0.6592(6) 0.13132(16) 0.136(2) Uani 1 1 d . . .
H19A H 0.6668 0.5675 0.1336 0.204 Uiso 1 1 calc R U .
H19B H 0.6644 0.6952 0.1600 0.204 Uiso 1 1 calc R U .
H19C H 0.6977 0.6884 0.1286 0.204 Uiso 1 1 calc R U .
C20 C 0.62039(19) 0.8437(5) 0.08484(19) 0.1290(19) Uani 1 1 d . . .
H20A H 0.5899 0.8710 0.0570 0.193 Uiso 1 1 calc R U .
H20B H 0.6518 0.8709 0.0814 0.193 Uiso 1 1 calc R U .
H20C H 0.6196 0.8807 0.1138 0.193 Uiso 1 1 calc R U .
B2 B 0.47787(17) 0.8857(5) 0.17787(16) 0.0768(14) Uani 1 1 d . . .
H2 H 0.4655(12) 0.888(3) 0.2102(11) 0.089(10) Uiso 1 1 d . . .
C21 C 0.43569(15) 0.9643(4) 0.13436(12) 0.0780(12) Uani 1 1 d . . .
C22 C 0.45843(16) 1.0629(4) 0.12096(14) 0.0808(12) Uani 1 1 d . . .
C23 C 0.43031(18) 1.1429(5) 0.08422(16) 0.0963(14) Uani 1 1 d . . .
H23 H 0.4466 1.2106 0.0756 0.116 Uiso 1 1 calc R U .
C24 C 0.37707(18) 1.1218(5) 0.05987(15) 0.0977(14) Uani 1 1 d . . .
H24 H 0.3572 1.1769 0.0348 0.117 Uiso 1 1 calc R U .
C25 C 0.35238(16) 1.0216(5) 0.07159(15) 0.0853(13) Uani 1 1 d . . .
C26 C 0.38166(15) 0.9476(4) 0.10925(13) 0.0847(13) Uani 1 1 d . . .
H26 H 0.3652 0.8825 0.1190 0.102 Uiso 1 1 calc R U .
C27 C 0.29382(16) 1.0051(5) 0.04303(14) 0.0891(13) Uani 1 1 d . . .
C28 C 0.28226(17) 0.9941(5) -0.01045(14) 0.1274(19) Uani 1 1 d . . .
H28A H 0.2947 1.0694 -0.0208 0.191 Uiso 1 1 calc R U .
H28B H 0.2449 0.9859 -0.0289 0.191 Uiso 1 1 calc R U .
H28C H 0.2998 0.9201 -0.0157 0.191 Uiso 1 1 calc R U .
C29 C 0.27363(16) 0.8900(5) 0.05800(16) 0.1194(17) Uani 1 1 d . . .
H29A H 0.2363 0.8833 0.0392 0.179 Uiso 1 1 calc R U .
H29B H 0.2806 0.8960 0.0920 0.179 Uiso 1 1 calc R U .
H29C H 0.2908 0.8155 0.0526 0.179 Uiso 1 1 calc R U .
C30 C 0.26625(17) 1.1203(5) 0.05067(17) 0.1271(19) Uani 1 1 d . . .
H30A H 0.2792 1.1955 0.0407 0.191 Uiso 1 1 calc R U .
H30B H 0.2729 1.1271 0.0845 0.191 Uiso 1 1 calc R U .
H30C H 0.2290 1.1123 0.0316 0.191 Uiso 1 1 calc R U .
C31 C 0.52802(14) 0.9749(4) 0.18627(13) 0.0734(11) Uani 1 1 d . . .
C32 C 0.51419(16) 1.0680(4) 0.15133(14) 0.0828(13) Uani 1 1 d . . .
C33 C 0.55058(17) 1.1519(4) 0.14858(15) 0.0926(14) Uani 1 1 d . . .
H33 H 0.5406 1.2154 0.1248 0.111 Uiso 1 1 calc R U .
C34 C 0.60234(16) 1.1411(5) 0.18163(16) 0.0904(14) Uani 1 1 d . . .
H34 H 0.6273 1.1988 0.1802 0.108 Uiso 1 1 calc R U .
C35 C 0.61783(15) 1.0475(4) 0.21648(14) 0.0799(12) Uani 1 1 d . . .
C36 C 0.58005(15) 0.9679(4) 0.21774(12) 0.0768(11) Uani 1 1 d . . .
H36 H 0.5900 0.9043 0.2415 0.092 Uiso 1 1 calc R U .
C37 C 0.67433(14) 1.0350(4) 0.25262(13) 0.0806(12) Uani 1 1 d . . .
C38 C 0.67644(15) 1.0340(4) 0.30381(12) 0.1047(15) Uani 1 1 d . . .
H38A H 0.6626 1.1132 0.3099 0.157 Uiso 1 1 calc R U .
H38B H 0.7124 1.0242 0.3269 0.157 Uiso 1 1 calc R U .
H38C H 0.6557 0.9640 0.3072 0.157 Uiso 1 1 calc R U .
C39 C 0.70740(15) 1.1426(5) 0.24888(15) 0.1073(16) Uani 1 1 d . . .
H39A H 0.6935 1.2219 0.2547 0.161 Uiso 1 1 calc R U .
H39B H 0.7072 1.1437 0.2168 0.161 Uiso 1 1 calc R U .
H39C H 0.7429 1.1318 0.2727 0.161 Uiso 1 1 calc R U .
C40 C 0.69622(15) 0.9118(4) 0.24344(15) 0.1060(15) Uani 1 1 d . . .
H40A H 0.7318 0.9014 0.2671 0.159 Uiso 1 1 calc R U .
H40B H 0.6959 0.9132 0.2114 0.159 Uiso 1 1 calc R U .
H40C H 0.6750 0.8419 0.2459 0.159 Uiso 1 1 calc R U .
O41 O 0.42087(12) 0.8047(3) 0.03085(10) 0.1059(10) Uani 1 1 d . . .
C42 C 0.39101(19) 0.7259(5) -0.00742(16) 0.1243(18) Uani 1 1 d . . .
H42A H 0.3543 0.7275 -0.0122 0.149 Uiso 1 1 calc R U .
H42B H 0.4037 0.6384 -0.0011 0.149 Uiso 1 1 calc R U .
C43 C 0.3970(3) 0.7772(7) -0.05135(17) 0.158(3) Uani 1 1 d . . .
H43A H 0.3927 0.7105 -0.0751 0.189 Uiso 1 1 calc R U .
H43B H 0.3721 0.8458 -0.0666 0.189 Uiso 1 1 calc R U .
C44 C 0.4524(3) 0.8249(7) -0.0287(2) 0.165(3) Uani 1 1 d . . .
H44A H 0.4775 0.7556 -0.0228 0.198 Uiso 1 1 calc R U .
H44B H 0.4588 0.8890 -0.0491 0.198 Uiso 1 1 calc R U .
C45 C 0.4551(2) 0.8804(5) 0.01682(16) 0.1260(18) Uani 1 1 d . . .
H45A H 0.4909 0.8773 0.0416 0.151 Uiso 1 1 calc R U .
H45B H 0.4434 0.9689 0.0120 0.151 Uiso 1 1 calc R U .
O51 O 0.5000 1.1967(5) 0.2500 0.1342(19) Uani 1 2 d S T P
C52 C 0.4563(2) 1.2758(7) 0.2368(3) 0.168(3) Uani 1 1 d . . .
H52A H 0.4371 1.2776 0.2017 0.201 Uiso 1 1 calc R U .
H52B H 0.4328 1.2465 0.2513 0.201 Uiso 1 1 calc R U .
C53 C 0.4757(3) 1.3920(7) 0.2537(4) 0.267(5) Uani 1 1 d . . .
H53A H 0.4826 1.4010 0.2880 0.320 Uiso 1 1 calc R U .
H53B H 0.4520 1.4595 0.2353 0.320 Uiso 1 1 calc R U .
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'
B B 0.0013 0.0007 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O51 Li1 C31 102.8(3) . .
O51 Li1 C31 102.8(3) . 2_655
C31 Li1 C31 154.3(6) . 2_655
O51 Li1 B2 126.3(3) . 2_655
C31 Li1 B2 121.4(5) . 2_655
C31 Li1 B2 38.43(16) 2_655 2_655
O51 Li1 B2 126.3(3) . .
C31 Li1 B2 38.43(16) . .
C31 Li1 B2 121.4(5) 2_655 .
B2 Li1 B2 107.4(5) 2_655 .
O51 Li1 Li3 180.0 . .
C31 Li1 Li3 77.2(3) . .
C31 Li1 Li3 77.2(3) 2_655 .
B2 Li1 Li3 53.7(3) 2_655 .
B2 Li1 Li3 53.7(3) . .
O51 Li1 H2 140.4(10) . .
C31 Li1 H2 64.2(9) . .
C31 Li1 H2 95.3(10) 2_655 .
B2 Li1 H2 89.1(11) 2_655 .
B2 Li1 H2 26.3(9) . .
Li3 Li1 H2 39.6(10) . .
O41 Li2 C21 116.4(4) . .
O41 Li2 B1 152.5(4) . .
C21 Li2 B1 82.4(3) . .
O41 Li2 C11 111.3(3) . .
C21 Li2 C11 113.1(3) . .
B1 Li2 C11 41.24(18) . .
O41 Li2 C1 140.5(4) . .
C21 Li2 C1 100.6(3) . .
B1 Li2 C1 39.77(18) . .
C11 Li2 C1 61.8(2) . .
O41 Li2 C26 102.6(4) . .
C21 Li2 C26 34.97(17) . .
B1 Li2 C26 103.8(3) . .
C11 Li2 C26 143.3(3) . .
C1 Li2 C26 99.9(2) . .
O41 Li2 B2 147.9(4) . .
C21 Li2 B2 39.47(19) . .
B1 Li2 B2 43.3(2) . .
C11 Li2 B2 76.0(3) . .
C1 Li2 B2 71.2(2) . .
C26 Li2 B2 67.8(2) . .
O41 Li2 C12 95.4(3) . .
C21 Li2 C12 143.4(3) . .
B1 Li2 C12 61.7(2) . .
C11 Li2 C12 32.82(16) . .
C1 Li2 C12 56.8(2) . .
C26 Li2 C12 156.4(3) . .
B2 Li2 C12 104.0(3) . .
O41 Li2 C2 108.7(4) . .
C21 Li2 C2 133.3(3) . .
B1 Li2 C2 61.4(2) . .
C11 Li2 C2 57.2(2) . .
C1 Li2 C2 32.75(15) . .
C26 Li2 C2 124.1(3) . .
B2 Li2 C2 101.5(3) . .
C12 Li2 C2 33.53(15) . .
B1 Li3 B1 156.3(6) 2_655 .
B1 Li3 B2 44.63(18) 2_655 2_655
B1 Li3 B2 158.1(5) . 2_655
B1 Li3 B2 158.1(5) 2_655 .
B1 Li3 B2 44.63(18) . .
B2 Li3 B2 116.4(5) 2_655 .
B1 Li3 Li1 101.8(3) 2_655 .
B1 Li3 Li1 101.8(3) . .
B2 Li3 Li1 58.2(2) 2_655 .
B2 Li3 Li1 58.2(2) . .
B1 Li3 H1 129.0(12) 2_655 .
B1 Li3 H1 32.8(11) . .
B2 Li3 H1 147.2(11) 2_655 .
B2 Li3 H1 72.6(12) . .
Li1 Li3 H1 120.9(11) . .
B1 Li3 H2 131.2(11) 2_655 .
B1 Li3 H2 68.9(10) . .
B2 Li3 H2 96.6(11) 2_655 .
B2 Li3 H2 27.9(10) . .
Li1 Li3 H2 43.2(11) . .
H1 Li3 H2 99.7(15) . .
C1 B1 C11 97.3(3) . .
C1 B1 B2 115.0(3) . .
C11 B1 B2 120.8(4) . .
C1 B1 Li3 100.9(3) . .
C11 B1 Li3 151.3(3) . .
B2 B1 Li3 70.3(3) . .
C1 B1 Li2 73.8(3) . .
C11 B1 Li2 69.6(3) . .
B2 B1 Li2 73.8(3) . .
Li3 B1 Li2 137.1(3) . .
C1 B1 H1 108.6(15) . .
C11 B1 H1 106.6(14) . .
B2 B1 H1 107.7(15) . .
Li3 B1 H1 46.3(14) . .
Li2 B1 H1 175.9(14) . .
C6 C1 C2 116.4(4) . .
C6 C1 B1 132.4(4) . .
C2 C1 B1 111.1(3) . .
C6 C1 Li2 119.8(3) . .
C2 C1 Li2 79.2(3) . .
B1 C1 Li2 66.4(3) . .
C3 C2 C1 120.7(3) . .
C3 C2 C12 129.3(4) . .
C1 C2 C12 110.0(4) . .
C3 C2 Li2 126.1(3) . .
C1 C2 Li2 68.1(3) . .
C12 C2 Li2 72.5(3) . .
C2 C3 C4 120.3(4) . .
C2 C3 H3 119.8 . .
C4 C3 H3 119.8 . .
C5 C4 C3 121.8(4) . .
C5 C4 H4 119.1 . .
C3 C4 H4 119.1 . .
C4 C5 C6 117.7(3) . .
C4 C5 C7 122.6(4) . .
C6 C5 C7 119.7(4) . .
C5 C6 C1 122.9(4) . .
C5 C6 H6 118.6 . .
C1 C6 H6 118.6 . .
C9 C7 C10 109.3(4) . .
C9 C7 C5 112.2(4) . .
C10 C7 C5 107.4(3) . .
C9 C7 C8 108.7(4) . .
C10 C7 C8 109.3(4) . .
C5 C7 C8 110.0(3) . .
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 . .
C7 C10 H10A 109.5 . .
C7 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C7 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C12 C11 C16 118.4(3) . .
C12 C11 B1 111.5(3) . .
C16 C11 B1 130.1(4) . .
C12 C11 Li2 82.7(3) . .
C16 C11 Li2 117.7(3) . .
B1 C11 Li2 69.2(3) . .
C13 C12 C11 121.9(3) . .
C13 C12 C2 128.1(4) . .
C11 C12 C2 110.0(3) . .
C13 C12 Li2 125.9(3) . .
C11 C12 Li2 64.5(3) . .
C2 C12 Li2 74.0(3) . .
C14 C13 C12 118.3(4) . .
C14 C13 H13 120.9 . .
C12 C13 H13 120.9 . .
C13 C14 C15 121.9(4) . .
C13 C14 H14 119.1 . .
C15 C14 H14 119.1 . .
C14 C15 C16 118.8(3) . .
C14 C15 C17 122.9(3) . .
C16 C15 C17 118.3(4) . .
C11 C16 C15 120.8(4) . .
C11 C16 H16 119.6 . .
C15 C16 H16 119.6 . .
C19 C17 C18 111.1(4) . .
C19 C17 C20 109.0(4) . .
C18 C17 C20 106.1(4) . .
C19 C17 C15 109.1(4) . .
C18 C17 C15 111.3(4) . .
C20 C17 C15 110.2(4) . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C17 C20 H20A 109.5 . .
C17 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C17 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C21 B2 C31 97.5(3) . .
C21 B2 B1 122.5(4) . .
C31 B2 B1 113.2(3) . .
C21 B2 Li3 149.6(3) . .
C31 B2 Li3 106.0(3) . .
B1 B2 Li3 65.0(3) . .
C21 B2 Li2 60.2(3) . .
C31 B2 Li2 114.2(3) . .
B1 B2 Li2 63.0(3) . .
Li3 B2 Li2 123.1(3) . .
C21 B2 Li1 104.6(3) . .
C31 B2 Li1 68.2(2) . .
B1 B2 Li1 131.3(4) . .
Li3 B2 Li1 68.1(3) . .
Li2 B2 Li1 164.6(3) . .
C21 B2 H2 108.1(16) . .
C31 B2 H2 112.8(16) . .
B1 B2 H2 103.0(16) . .
Li3 B2 H2 44.9(15) . .
Li2 B2 H2 132.6(16) . .
Li1 B2 H2 45.8(16) . .
C22 C21 C26 117.7(4) . .
C22 C21 B2 111.3(4) . .
C26 C21 B2 131.0(4) . .
C22 C21 Li2 111.9(3) . .
C26 C21 Li2 81.8(3) . .
B2 C21 Li2 80.3(3) . .
C23 C22 C21 122.0(4) . .
C23 C22 C32 127.5(4) . .
C21 C22 C32 110.4(4) . .
C22 C23 C24 118.4(4) . .
C22 C23 H23 120.8 . .
C24 C23 H23 120.8 . .
C25 C24 C23 121.7(4) . .
C25 C24 H24 119.1 . .
C23 C24 H24 119.1 . .
C26 C25 C24 117.6(4) . .
C26 C25 C27 124.0(4) . .
C24 C25 C27 118.4(4) . .
C25 C26 C21 122.5(4) . .
C25 C26 Li2 118.1(3) . .
C21 C26 Li2 63.3(3) . .
C25 C26 H26 118.7 . .
C21 C26 H26 118.7 . .
Li2 C26 H26 88.8 . .
C29 C27 C30 109.3(4) . .
C29 C27 C25 112.0(4) . .
C30 C27 C25 108.7(4) . .
C29 C27 C28 108.7(4) . .
C30 C27 C28 108.9(4) . .
C25 C27 C28 109.2(3) . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C27 C29 H29A 109.5 . .
C27 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C27 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C27 C30 H30A 109.5 . .
C27 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C27 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C32 C31 C36 117.2(4) . .
C32 C31 B2 109.7(3) . .
C36 C31 B2 132.8(4) . .
C32 C31 Li1 111.9(4) . .
C36 C31 Li1 93.0(2) . .
B2 C31 Li1 73.4(3) . .
C33 C32 C31 121.3(4) . .
C33 C32 C22 127.9(4) . .
C31 C32 C22 110.8(4) . .
C32 C33 C34 118.9(4) . .
C32 C33 H33 120.6 . .
C34 C33 H33 120.6 . .
C35 C34 C33 121.4(4) . .
C35 C34 H34 119.3 . .
C33 C34 H34 119.3 . .
C36 C35 C34 117.1(4) . .
C36 C35 C37 121.2(4) . .
C34 C35 C37 121.7(4) . .
C35 C36 C31 124.0(4) . .
C35 C36 H36 118.0 . .
C31 C36 H36 118.0 . .
C39 C37 C40 109.2(3) . .
C39 C37 C35 112.0(4) . .
C40 C37 C35 108.8(3) . .
C39 C37 C38 108.2(3) . .
C40 C37 C38 109.3(4) . .
C35 C37 C38 109.4(3) . .
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 . .
C37 C40 H40A 109.5 . .
C37 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C37 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
C42 O41 C45 109.3(3) . .
C42 O41 Li2 130.1(4) . .
C45 O41 Li2 117.3(4) . .
O41 C42 C43 106.1(4) . .
O41 C42 H42A 110.5 . .
C43 C42 H42A 110.5 . .
O41 C42 H42B 110.5 . .
C43 C42 H42B 110.5 . .
H42A C42 H42B 108.7 . .
C44 C43 C42 100.4(4) . .
C44 C43 H43A 111.7 . .
C42 C43 H43A 111.7 . .
C44 C43 H43B 111.7 . .
C42 C43 H43B 111.7 . .
H43A C43 H43B 109.5 . .
C45 C44 C43 102.2(5) . .
C45 C44 H44A 111.3 . .
C43 C44 H44A 111.3 . .
C45 C44 H44B 111.3 . .
C43 C44 H44B 111.3 . .
H44A C44 H44B 109.2 . .
O41 C45 C44 105.7(5) . .
O41 C45 H45A 110.6 . .
C44 C45 H45A 110.6 . .
O41 C45 H45B 110.6 . .
C44 C45 H45B 110.6 . .
H45A C45 H45B 108.7 . .
C52 O51 C52 106.7(7) . 2_655
C52 O51 Li1 126.6(3) . .
C52 O51 Li1 126.6(3) 2_655 .
C53 C52 O51 105.2(6) . .
C53 C52 H52A 110.7 . .
O51 C52 H52A 110.7 . .
C53 C52 H52B 110.7 . .
O51 C52 H52B 110.7 . .
H52A C52 H52B 108.8 . .
C52 C53 C53 101.2(6) . 2_655
C52 C53 H53A 111.5 . .
C53 C53 H53A 111.5 2_655 .
C52 C53 H53B 111.5 . .
C53 C53 H53B 111.5 2_655 .
H53A C53 H53B 109.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Li1 O51 1.820(14) .
Li1 C31 2.449(4) .
Li1 C31 2.449(4) 2_655
Li1 B2 2.529(9) 2_655
Li1 B2 2.529(9) .
Li1 Li3 2.761(17) .
Li1 H2 1.91(3) .
Li2 O41 1.874(7) .
Li2 C21 2.207(9) .
Li2 B1 2.326(9) .
Li2 C11 2.331(8) .
Li2 C1 2.438(8) .
Li2 C26 2.445(8) .
Li2 B2 2.506(8) .
Li2 C12 2.562(9) .
Li2 C2 2.581(10) .
Li3 B1 2.309(5) 2_655
Li3 B1 2.309(5) .
Li3 B2 2.399(7) 2_655
Li3 B2 2.399(7) .
Li3 H1 1.70(3) .
Li3 H2 1.77(3) .
B1 C1 1.624(6) .
B1 C11 1.640(5) .
B1 B2 1.789(7) .
B1 H1 1.27(3) .
C1 C6 1.411(4) .
C1 C2 1.422(5) .
C2 C3 1.370(5) .
C2 C12 1.484(5) .
C3 C4 1.390(5) .
C3 H3 0.9500 .
C4 C5 1.371(5) .
C4 H4 0.9500 .
C5 C6 1.394(5) .
C5 C7 1.545(4) .
C6 H6 0.9500 .
C7 C9 1.507(5) .
C7 C10 1.525(6) .
C7 C8 1.545(5) .
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 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 C12 1.400(5) .
C11 C16 1.405(5) .
C12 C13 1.399(5) .
C13 C14 1.392(5) .
C13 H13 0.9500 .
C14 C15 1.392(5) .
C14 H14 0.9500 .
C15 C16 1.406(5) .
C15 C17 1.549(5) .
C16 H16 0.9500 .
C17 C19 1.486(6) .
C17 C18 1.527(5) .
C17 C20 1.542(6) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
B2 C21 1.616(6) .
B2 C31 1.640(6) .
B2 H2 1.18(3) .
C21 C22 1.380(5) .
C21 C26 1.416(5) .
C22 C23 1.378(5) .
C22 C32 1.472(5) .
C23 C24 1.401(5) .
C23 H23 0.9500 .
C24 C25 1.401(5) .
C24 H24 0.9500 .
C25 C26 1.365(5) .
C25 C27 1.538(5) .
C26 H26 0.9500 .
C27 C29 1.502(6) .
C27 C30 1.523(6) .
C27 C28 1.540(5) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
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 1.394(5) .
C31 C36 1.396(5) .
C32 C33 1.392(5) .
C33 C34 1.407(5) .
C33 H33 0.9500 .
C34 C35 1.396(5) .
C34 H34 0.9500 .
C35 C36 1.377(5) .
C35 C37 1.537(5) .
C36 H36 0.9500 .
C37 C39 1.513(5) .
C37 C40 1.526(5) .
C37 C38 1.546(5) .
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 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
O41 C42 1.411(5) .
O41 C45 1.453(5) .
C42 C43 1.524(6) .
C42 H42A 0.9900 .
C42 H42B 0.9900 .
C43 C44 1.522(7) .
C43 H43A 0.9900 .
C43 H43B 0.9900 .
C44 C45 1.490(6) .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
C45 H45A 0.9900 .
C45 H45B 0.9900 .
O51 C52 1.412(6) .
O51 C52 1.412(6) 2_655
C52 C53 1.369(8) .
C52 H52A 0.9900 .
C52 H52B 0.9900 .
C53 C53 1.482(12) 2_655
C53 H53A 0.9900 .
C53 H53B 0.9900 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C11 B1 C1 C6 -175.8(4) . .
B2 B1 C1 C6 -46.7(6) . .
Li3 B1 C1 C6 26.5(6) . .
Li2 B1 C1 C6 -109.6(5) . .
C11 B1 C1 C2 1.0(4) . .
B2 B1 C1 C2 130.0(4) . .
Li3 B1 C1 C2 -156.7(4) . .
Li2 B1 C1 C2 67.2(4) . .
C11 B1 C1 Li2 -66.2(3) . .
B2 B1 C1 Li2 62.8(3) . .
Li3 B1 C1 Li2 136.1(4) . .
C6 C1 C2 C3 -1.9(6) . .
B1 C1 C2 C3 -179.2(4) . .
Li2 C1 C2 C3 -119.9(4) . .
C6 C1 C2 C12 178.6(4) . .
B1 C1 C2 C12 1.3(5) . .
Li2 C1 C2 C12 60.6(3) . .
C6 C1 C2 Li2 118.0(4) . .
B1 C1 C2 Li2 -59.3(3) . .
C1 C2 C3 C4 -1.4(7) . .
C12 C2 C3 C4 178.0(4) . .
Li2 C2 C3 C4 -85.4(5) . .
C2 C3 C4 C5 1.4(7) . .
C3 C4 C5 C6 2.0(7) . .
C3 C4 C5 C7 179.6(4) . .
C4 C5 C6 C1 -5.6(6) . .
C7 C5 C6 C1 176.7(4) . .
C2 C1 C6 C5 5.5(6) . .
B1 C1 C6 C5 -177.9(4) . .
Li2 C1 C6 C5 98.0(5) . .
C4 C5 C7 C9 12.5(6) . .
C6 C5 C7 C9 -170.0(4) . .
C4 C5 C7 C10 -107.6(5) . .
C6 C5 C7 C10 69.9(5) . .
C4 C5 C7 C8 133.5(5) . .
C6 C5 C7 C8 -48.9(6) . .
C1 B1 C11 C12 -3.1(5) . .
B2 B1 C11 C12 -128.0(4) . .
Li3 B1 C11 C12 126.1(8) . .
Li2 B1 C11 C12 -72.8(4) . .
C1 B1 C11 C16 178.9(4) . .
B2 B1 C11 C16 54.0(6) . .
Li3 B1 C11 C16 -51.9(11) . .
Li2 B1 C11 C16 109.2(5) . .
C1 B1 C11 Li2 69.7(3) . .
B2 B1 C11 Li2 -55.3(4) . .
Li3 B1 C11 Li2 -161.1(9) . .
C16 C11 C12 C13 0.4(6) . .
B1 C11 C12 C13 -177.9(4) . .
Li2 C11 C12 C13 118.0(4) . .
C16 C11 C12 C2 -177.6(4) . .
B1 C11 C12 C2 4.2(5) . .
Li2 C11 C12 C2 -60.0(3) . .
C16 C11 C12 Li2 -117.6(4) . .
B1 C11 C12 Li2 64.2(3) . .
C3 C2 C12 C13 -0.7(7) . .
C1 C2 C12 C13 178.7(4) . .
Li2 C2 C12 C13 -123.4(4) . .
C3 C2 C12 C11 177.1(4) . .
C1 C2 C12 C11 -3.5(5) . .
Li2 C2 C12 C11 54.5(3) . .
C3 C2 C12 Li2 122.7(5) . .
C1 C2 C12 Li2 -57.9(3) . .
C11 C12 C13 C14 -0.3(6) . .
C2 C12 C13 C14 177.3(4) . .
Li2 C12 C13 C14 79.6(5) . .
C12 C13 C14 C15 -0.7(6) . .
C13 C14 C15 C16 1.6(7) . .
C13 C14 C15 C17 179.3(4) . .
C12 C11 C16 C15 0.5(6) . .
B1 C11 C16 C15 178.4(4) . .
Li2 C11 C16 C15 -96.4(5) . .
C14 C15 C16 C11 -1.5(6) . .
C17 C15 C16 C11 -179.3(4) . .
C14 C15 C17 C19 -108.1(5) . .
C16 C15 C17 C19 69.6(6) . .
C14 C15 C17 C18 14.9(6) . .
C16 C15 C17 C18 -167.4(4) . .
C14 C15 C17 C20 132.3(5) . .
C16 C15 C17 C20 -50.0(5) . .
C1 B1 B2 C21 -53.1(5) . .
C11 B1 B2 C21 63.2(5) . .
Li3 B1 B2 C21 -146.3(3) . .
Li2 B1 B2 C21 9.8(4) . .
C1 B1 B2 C31 -169.3(3) . .
C11 B1 B2 C31 -53.1(5) . .
Li3 B1 B2 C31 97.5(3) . .
Li2 B1 B2 C31 -106.4(3) . .
C1 B1 B2 Li3 93.2(3) . .
C11 B1 B2 Li3 -150.6(4) . .
Li2 B1 B2 Li3 156.1(2) . .
C1 B1 B2 Li2 -62.9(3) . .
C11 B1 B2 Li2 53.3(4) . .
Li3 B1 B2 Li2 -156.1(2) . .
C1 B1 B2 Li1 110.1(4) . .
C11 B1 B2 Li1 -133.7(4) . .
Li3 B1 B2 Li1 16.8(3) . .
Li2 B1 B2 Li1 172.9(3) . .
C31 B2 C21 C22 3.8(4) . .
B1 B2 C21 C22 -120.0(4) . .
Li3 B2 C21 C22 144.5(7) . .
Li2 B2 C21 C22 -109.9(3) . .
Li1 B2 C21 C22 73.1(3) . .
C31 B2 C21 C26 -176.3(4) . .
B1 B2 C21 C26 60.0(5) . .
Li3 B2 C21 C26 -35.5(10) . .
Li2 B2 C21 C26 70.1(4) . .
Li1 B2 C21 C26 -107.0(4) . .
C31 B2 C21 Li2 113.7(3) . .
B1 B2 C21 Li2 -10.1(4) . .
Li3 B2 C21 Li2 -105.6(7) . .
Li1 B2 C21 Li2 -177.0(3) . .
C26 C21 C22 C23 -0.6(6) . .
B2 C21 C22 C23 179.4(4) . .
Li2 C21 C22 C23 91.5(5) . .
C26 C21 C22 C32 178.7(3) . .
B2 C21 C22 C32 -1.3(4) . .
Li2 C21 C22 C32 -89.2(4) . .
C21 C22 C23 C24 -0.4(6) . .
C32 C22 C23 C24 -179.5(4) . .
C22 C23 C24 C25 -0.8(6) . .
C23 C24 C25 C26 2.9(6) . .
C23 C24 C25 C27 -179.9(4) . .
C24 C25 C26 C21 -3.9(6) . .
C27 C25 C26 C21 179.1(4) . .
C24 C25 C26 Li2 -78.6(5) . .
C27 C25 C26 Li2 104.4(4) . .
C22 C21 C26 C25 2.8(6) . .
B2 C21 C26 C25 -177.1(4) . .
Li2 C21 C26 C25 -107.7(4) . .
C22 C21 C26 Li2 110.5(4) . .
B2 C21 C26 Li2 -69.4(4) . .
C26 C25 C27 C29 -6.1(6) . .
C24 C25 C27 C29 176.9(4) . .
C26 C25 C27 C30 114.8(5) . .
C24 C25 C27 C30 -62.2(5) . .
C26 C25 C27 C28 -126.5(4) . .
C24 C25 C27 C28 56.5(5) . .
C21 B2 C31 C32 -5.1(4) . .
B1 B2 C31 C32 125.1(4) . .
Li3 B2 C31 C32 -165.7(3) . .
Li2 B2 C31 C32 55.5(4) . .
Li1 B2 C31 C32 -107.9(4) . .
C21 B2 C31 C36 -178.8(4) . .
B1 B2 C31 C36 -48.6(5) . .
Li3 B2 C31 C36 20.6(5) . .
Li2 B2 C31 C36 -118.2(4) . .
Li1 B2 C31 C36 78.4(5) . .
C21 B2 C31 Li1 102.8(3) . .
B1 B2 C31 Li1 -127.0(4) . .
Li3 B2 C31 Li1 -57.8(3) . .
Li2 B2 C31 Li1 163.4(4) . .
C36 C31 C32 C33 -1.3(6) . .
B2 C31 C32 C33 -176.1(4) . .
Li1 C31 C32 C33 104.5(4) . .
C36 C31 C32 C22 179.7(3) . .
B2 C31 C32 C22 4.9(4) . .
Li1 C31 C32 C22 -74.6(4) . .
C23 C22 C32 C33 -2.0(7) . .
C21 C22 C32 C33 178.7(4) . .
C23 C22 C32 C31 176.9(4) . .
C21 C22 C32 C31 -2.4(5) . .
C31 C32 C33 C34 0.6(6) . .
C22 C32 C33 C34 179.4(4) . .
C32 C33 C34 C35 0.8(6) . .
C33 C34 C35 C36 -1.4(6) . .
C33 C34 C35 C37 179.9(4) . .
C34 C35 C36 C31 0.6(6) . .
C37 C35 C36 C31 179.4(3) . .
C32 C31 C36 C35 0.6(6) . .
B2 C31 C36 C35 174.0(4) . .
Li1 C31 C36 C35 -116.0(5) . .
C36 C35 C37 C39 -172.1(3) . .
C34 C35 C37 C39 6.6(5) . .
C36 C35 C37 C40 67.1(4) . .
C34 C35 C37 C40 -114.2(4) . .
C36 C35 C37 C38 -52.2(5) . .
C34 C35 C37 C38 126.5(4) . .
C21 Li2 O41 C42 -139.5(4) . .
B1 Li2 O41 C42 91.2(10) . .
C11 Li2 O41 C42 88.9(5) . .
C1 Li2 O41 C42 17.9(9) . .
C26 Li2 O41 C42 -105.3(5) . .
B2 Li2 O41 C42 -173.3(6) . .
C12 Li2 O41 C42 59.3(5) . .
C2 Li2 O41 C42 27.7(6) . .
C21 Li2 O41 C45 63.4(5) . .
B1 Li2 O41 C45 -65.9(11) . .
C11 Li2 O41 C45 -68.2(5) . .
C1 Li2 O41 C45 -139.2(5) . .
C26 Li2 O41 C45 97.6(4) . .
B2 Li2 O41 C45 29.6(9) . .
C12 Li2 O41 C45 -97.8(4) . .
C2 Li2 O41 C45 -129.4(4) . .
C45 O41 C42 C43 -14.5(6) . .
Li2 O41 C42 C43 -173.0(5) . .
O41 C42 C43 C44 33.7(6) . .
C42 C43 C44 C45 -39.5(6) . .
C42 O41 C45 C44 -11.5(6) . .
Li2 O41 C45 C44 150.1(5) . .
C43 C44 C45 O41 32.4(6) . .
C31 Li1 O51 C52 112.6(4) . .
C31 Li1 O51 C52 -67.4(4) 2_655 .
B2 Li1 O51 C52 -101.4(4) 2_655 .
B2 Li1 O51 C52 78.6(4) . .
C31 Li1 O51 C52 -67.4(4) . 2_655
C31 Li1 O51 C52 112.6(4) 2_655 2_655
B2 Li1 O51 C52 78.6(4) 2_655 2_655
B2 Li1 O51 C52 -101.4(4) . 2_655
C52 O51 C52 C53 -14.9(5) 2_655 .
Li1 O51 C52 C53 165.1(5) . .
O51 C52 C53 C53 36.1(12) . 2_655
