#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:38:45 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180149 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/46/7104677.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_7104677
loop_
_publ_author_name
'Knapp, Carsten'
'Schulz, Christoph'
_publ_section_title
;
 How to overcome Coulomb explosions in labile dications by using the
 [B(12)Cl(12)](2-) dianion.
;
_journal_issue                   33
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4991
_journal_page_last               4993
_journal_paper_doi               10.1039/b908970e
_journal_volume                  34
_journal_year                    2009
_chemical_formula_moiety         'B12 Cl12, 8(O2 S), 2(Li)'
_chemical_formula_sum            'B12 Cl12 Li2 O16 S8'
_chemical_formula_weight         1081.48
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                116.41(3)
_cell_angle_beta                 94.82(3)
_cell_angle_gamma                101.32(3)
_cell_formula_units_Z            1
_cell_length_a                   9.964(2)
_cell_length_b                   10.285(2)
_cell_length_c                   10.325(2)
_cell_measurement_reflns_used    1000
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      0.00
_cell_volume                     911.4(4)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_molecular_graphics    Diamond
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku R-AXIS Spider'
_diffrn_measurement_method       fsFind.ref
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0809
_diffrn_reflns_av_sigmaI/netI    0.0637
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            17995
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    1.426
_exptl_absorpt_correction_T_max  0.931
_exptl_absorpt_correction_T_min  0.719
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
March 2001 T Higashi
;
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.970
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             526
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.623
_refine_diff_density_min         -0.640
_refine_diff_density_rms         0.135
_refine_ls_extinction_coef       0.0034(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.113
_refine_ls_matrix_type           full
_refine_ls_number_parameters     227
_refine_ls_number_reflns         4159
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.113
_refine_ls_R_factor_all          0.0725
_refine_ls_R_factor_gt           0.0476
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0274P)²+1.4756P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0882
_refine_ls_wR_factor_ref         0.1030
_reflns_number_gt                3058
_reflns_number_total             4159
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b908970e.txt
_cod_data_source_block           ck-cs-01
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7104677
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
B1 B 0.4021(5) 0.3466(5) 0.3456(4) 0.0167(9) Uani 1 1 d . . .
Cl1 Cl 0.30069(10) 0.18087(10) 0.18216(10) 0.0213(2) Uani 1 1 d . . .
B2 B 0.3440(4) 0.4108(5) 0.5177(4) 0.0165(9) Uani 1 1 d . . .
Cl2 Cl 0.18118(10) 0.31533(11) 0.53484(10) 0.0226(2) Uani 1 1 d . . .
B3 B 0.4897(4) 0.3310(5) 0.4936(4) 0.0167(9) Uani 1 1 d . . .
Cl3 Cl 0.48114(10) 0.15114(10) 0.48622(10) 0.0223(2) Uani 1 1 d . . .
B4 B 0.5881(4) 0.3884(5) 0.3839(4) 0.0151(8) Uani 1 1 d . . .
Cl4 Cl 0.67854(10) 0.26958(11) 0.25752(10) 0.0243(2) Uani 1 1 d . . .
B5 B 0.5039(4) 0.5052(5) 0.3377(4) 0.0157(8) Uani 1 1 d . . .
Cl5 Cl 0.51020(10) 0.50910(11) 0.16692(10) 0.0229(2) Uani 1 1 d . . .
B6 B 0.3543(4) 0.5201(5) 0.4211(4) 0.0146(8) Uani 1 1 d . . .
Cl6 Cl 0.19979(10) 0.54352(10) 0.33862(10) 0.0221(2) Uani 1 1 d . . .
Li1 Li 0.1608(8) 0.0885(8) 0.7573(8) 0.0354(18) Uani 1 1 d . . .
O1 O 0.1717(3) -0.0447(3) 0.5457(3) 0.0352(7) Uani 1 1 d . . .
S1 S 0.17089(11) -0.10003(12) 0.39294(11) 0.0267(2) Uani 1 1 d . . .
O2 O 0.0528(3) -0.0990(4) 0.3062(3) 0.0413(8) Uani 1 1 d . . .
O3 O 0.0912(3) -0.0543(3) 0.8296(4) 0.0358(7) Uani 1 1 d . . .
S2 S 0.03141(11) -0.19364(12) 0.82856(12) 0.0264(2) Uani 1 1 d . . .
O4 O 0.0474(3) -0.1942(4) 0.9658(4) 0.0454(9) Uani 1 1 d . . .
O5 O 0.3761(3) 0.1156(3) 0.8148(3) 0.0334(7) Uani 1 1 d . . .
S3 S 0.50701(12) 0.11583(12) 0.88201(12) 0.0302(3) Uani 1 1 d . . .
O6 O 0.6307(3) 0.1952(3) 0.8630(3) 0.0380(8) Uani 1 1 d . . .
O7 O 0.1974(3) 0.3056(3) 0.9041(3) 0.0301(7) Uani 1 1 d . . .
S4 S 0.18109(12) 0.45383(12) 0.95159(12) 0.0302(3) Uani 1 1 d . . .
O8 O 0.0734(4) 0.4708(4) 0.8668(4) 0.0520(10) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Li Li -0.0003 0.0001 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
_geom_angle_publ_flag
B3 B1 B6 108.1(3) . . ?
B3 B1 B5 108.1(3) . . ?
B6 B1 B5 60.0(2) . . ?
B3 B1 B4 59.6(2) . . ?
B6 B1 B4 108.0(3) . . ?
B5 B1 B4 60.3(2) . . ?
B3 B1 B2 60.0(2) . . ?
B6 B1 B2 60.5(2) . . ?
B5 B1 B2 108.7(3) . . ?
B4 B1 B2 108.0(3) . . ?
B3 B1 Cl1 120.6(3) . . ?
B6 B1 Cl1 123.0(3) . . ?
B5 B1 Cl1 122.0(3) . . ?
B4 B1 Cl1 120.8(3) . . ?
B2 B1 Cl1 121.6(3) . . ?
B3 B2 Cl2 121.6(3) . . ?
B3 B2 B1 59.7(2) . . ?
Cl2 B2 B1 121.5(3) . . ?
B3 B2 B4 107.3(3) . 2_666 ?
Cl2 B2 B4 122.9(3) . 2_666 ?
B1 B2 B4 107.0(3) . 2_666 ?
B3 B2 B5 60.0(2) . 2_666 ?
Cl2 B2 B5 122.1(3) . 2_666 ?
B1 B2 B5 107.6(3) . 2_666 ?
B4 B2 B5 59.9(2) 2_666 2_666 ?
B3 B2 B6 107.1(3) . . ?
Cl2 B2 B6 122.5(3) . . ?
B1 B2 B6 59.5(2) . . ?
B4 B2 B6 59.5(2) 2_666 . ?
B5 B2 B6 107.3(3) 2_666 . ?
B4 B3 B1 60.3(2) . . ?
B4 B3 B6 60.2(2) . 2_666 ?
B1 B3 B6 108.4(3) . 2_666 ?
B4 B3 B2 108.8(3) . . ?
B1 B3 B2 60.3(2) . . ?
B6 B3 B2 108.5(3) 2_666 . ?
B4 B3 B5 108.2(3) . 2_666 ?
B1 B3 B5 108.4(3) . 2_666 ?
B6 B3 B5 59.8(2) 2_666 2_666 ?
B2 B3 B5 60.3(2) . 2_666 ?
B4 B3 Cl3 120.8(3) . . ?
B1 B3 Cl3 121.8(3) . . ?
B6 B3 Cl3 120.9(3) 2_666 . ?
B2 B3 Cl3 121.9(3) . . ?
B5 B3 Cl3 121.8(3) 2_666 . ?
B3 B4 B6 60.1(2) . 2_666 ?
B3 B4 B1 60.0(2) . . ?
B6 B4 B1 108.1(3) 2_666 . ?
B3 B4 B5 108.0(3) . . ?
B6 B4 B5 108.3(3) 2_666 . ?
B1 B4 B5 59.8(2) . . ?
B3 B4 Cl4 122.1(3) . . ?
B6 B4 Cl4 122.9(3) 2_666 . ?
B1 B4 Cl4 120.7(3) . . ?
B5 B4 Cl4 120.5(3) . . ?
B3 B4 B2 108.5(3) . 2_666 ?
B6 B4 B2 60.4(2) 2_666 2_666 ?
B1 B4 B2 108.1(3) . 2_666 ?
B5 B4 B2 60.1(2) . 2_666 ?
Cl4 B4 B2 121.7(3) . 2_666 ?
B6 B5 B1 60.0(2) . . ?
B6 B5 Cl5 122.6(3) . . ?
B1 B5 Cl5 121.7(3) . . ?
B6 B5 B3 59.8(2) . 2_666 ?
B1 B5 B3 107.6(3) . 2_666 ?
Cl5 B5 B3 122.7(3) . 2_666 ?
B6 B5 B4 107.8(3) . . ?
B1 B5 B4 59.9(2) . . ?
Cl5 B5 B4 121.2(3) . . ?
B3 B5 B4 107.3(3) 2_666 . ?
B6 B5 B2 108.0(3) . 2_666 ?
B1 B5 B2 108.2(3) . 2_666 ?
Cl5 B5 B2 121.1(3) . 2_666 ?
B3 B5 B2 59.7(2) 2_666 2_666 ?
B4 B5 B2 60.0(2) . 2_666 ?
B3 B6 B5 60.3(2) 2_666 . ?
B3 B6 B1 108.0(3) 2_666 . ?
B5 B6 B1 60.0(2) . . ?
B3 B6 B4 59.7(2) 2_666 2_666 ?
B5 B6 B4 108.2(3) . 2_666 ?
B1 B6 B4 108.0(3) . 2_666 ?
B3 B6 B2 108.0(3) 2_666 . ?
B5 B6 B2 108.4(3) . . ?
B1 B6 B2 60.0(2) . . ?
B4 B6 B2 60.2(2) 2_666 . ?
B3 B6 Cl6 121.4(3) 2_666 . ?
B5 B6 Cl6 121.6(3) . . ?
B1 B6 Cl6 122.3(3) . . ?
B4 B6 Cl6 121.3(3) 2_666 . ?
B2 B6 Cl6 121.7(3) . . ?
O3 Li1 O7 115.3(4) . . ?
O3 Li1 O1 103.9(3) . . ?
O7 Li1 O1 140.8(4) . . ?
O3 Li1 O5 98.4(3) . . ?
O7 Li1 O5 86.3(3) . . ?
O1 Li1 O5 88.0(3) . . ?
O3 Li1 O2 91.8(3) . 2_556 ?
O7 Li1 O2 86.5(3) . 2_556 ?
O1 Li1 O2 92.6(3) . 2_556 ?
O5 Li1 O2 169.3(4) . 2_556 ?
S1 O1 Li1 162.3(3) . . ?
O1 S1 O2 116.8(2) . . ?
S1 O2 Li1 159.4(3) . 2_556 ?
S2 O3 Li1 160.0(3) . . ?
O4 S2 O3 116.9(2) . . ?
S3 O5 Li1 162.6(3) . . ?
O6 S3 O5 118.5(2) . . ?
S4 O7 Li1 153.0(3) . . ?
O8 S4 O7 117.3(2) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
B1 B3 1.780(6) . ?
B1 B6 1.782(6) . ?
B1 B5 1.783(6) . ?
B1 B4 1.786(6) . ?
B1 B2 1.791(6) . ?
B1 Cl1 1.803(4) . ?
B2 B3 1.786(6) . ?
B2 Cl2 1.790(4) . ?
B2 B4 1.795(6) 2_666 ?
B2 B5 1.797(6) 2_666 ?
B2 B6 1.799(6) . ?
B3 B4 1.774(6) . ?
B3 B6 1.781(6) 2_666 ?
B3 B5 1.790(6) 2_666 ?
B3 Cl3 1.802(4) . ?
B4 B6 1.782(6) 2_666 ?
B4 B5 1.792(6) . ?
B4 Cl4 1.794(4) . ?
B4 B2 1.795(6) 2_666 ?
B5 B6 1.782(6) . ?
B5 Cl5 1.788(4) . ?
B5 B3 1.790(6) 2_666 ?
B5 B2 1.797(6) 2_666 ?
B6 B3 1.781(6) 2_666 ?
B6 B4 1.782(6) 2_666 ?
B6 Cl6 1.806(4) . ?
Li1 O3 1.964(8) . ?
Li1 O7 1.998(8) . ?
Li1 O1 2.024(8) . ?
Li1 O5 2.106(8) . ?
Li1 O2 2.212(8) 2_556 ?
O1 S1 1.418(3) . ?
S1 O2 1.422(3) . ?
O2 Li1 2.212(8) 2_556 ?
O3 S2 1.435(3) . ?
S2 O4 1.415(3) . ?
O5 S3 1.424(3) . ?
S3 O6 1.419(3) . ?
O7 S4 1.427(3) . ?
S4 O8 1.415(3) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
B6 B1 B2 B3 -137.6(3) . . . . ?
B5 B1 B2 B3 -100.6(3) . . . . ?
B4 B1 B2 B3 -36.7(3) . . . . ?
Cl1 B1 B2 B3 109.6(3) . . . . ?
B3 B1 B2 Cl2 -110.7(3) . . . . ?
B6 B1 B2 Cl2 111.7(3) . . . . ?
B5 B1 B2 Cl2 148.7(3) . . . . ?
B4 B1 B2 Cl2 -147.4(3) . . . . ?
Cl1 B1 B2 Cl2 -1.1(4) . . . . ?
B3 B1 B2 B4 100.5(3) . . . 2_666 ?
B6 B1 B2 B4 -37.1(3) . . . 2_666 ?
B5 B1 B2 B4 -0.1(4) . . . 2_666 ?
B4 B1 B2 B4 63.8(4) . . . 2_666 ?
Cl1 B1 B2 B4 -149.9(3) . . . 2_666 ?
B3 B1 B2 B5 37.5(3) . . . 2_666 ?
B6 B1 B2 B5 -100.1(3) . . . 2_666 ?
B5 B1 B2 B5 -63.1(4) . . . 2_666 ?
B4 B1 B2 B5 0.8(4) . . . 2_666 ?
Cl1 B1 B2 B5 147.1(3) . . . 2_666 ?
B3 B1 B2 B6 137.6(3) . . . . ?
B5 B1 B2 B6 37.0(3) . . . . ?
B4 B1 B2 B6 100.9(3) . . . . ?
Cl1 B1 B2 B6 -112.8(3) . . . . ?
B6 B1 B3 B4 -100.7(3) . . . . ?
B5 B1 B3 B4 -37.3(3) . . . . ?
B2 B1 B3 B4 -138.8(3) . . . . ?
Cl1 B1 B3 B4 110.0(3) . . . . ?
B6 B1 B3 B6 -63.2(4) . . . 2_666 ?
B5 B1 B3 B6 0.3(4) . . . 2_666 ?
B4 B1 B3 B6 37.5(3) . . . 2_666 ?
B2 B1 B3 B6 -101.3(3) . . . 2_666 ?
Cl1 B1 B3 B6 147.6(3) . . . 2_666 ?
B6 B1 B3 B2 38.1(3) . . . . ?
B5 B1 B3 B2 101.5(3) . . . . ?
B4 B1 B3 B2 138.8(3) . . . . ?
Cl1 B1 B3 B2 -111.1(3) . . . . ?
B6 B1 B3 B5 0.3(4) . . . 2_666 ?
B5 B1 B3 B5 63.7(4) . . . 2_666 ?
B4 B1 B3 B5 101.0(3) . . . 2_666 ?
B2 B1 B3 B5 -37.8(3) . . . 2_666 ?
Cl1 B1 B3 B5 -149.0(3) . . . 2_666 ?
B6 B1 B3 Cl3 149.4(3) . . . . ?
B5 B1 B3 Cl3 -147.2(3) . . . . ?
B4 B1 B3 Cl3 -109.9(3) . . . . ?
B2 B1 B3 Cl3 111.3(3) . . . . ?
Cl1 B1 B3 Cl3 0.1(5) . . . . ?
Cl2 B2 B3 B4 147.8(3) . . . . ?
B1 B2 B3 B4 37.2(3) . . . . ?
B4 B2 B3 B4 -62.8(4) 2_666 . . . ?
B5 B2 B3 B4 -100.7(3) 2_666 . . . ?
B6 B2 B3 B4 -0.2(4) . . . . ?
Cl2 B2 B3 B1 110.6(3) . . . . ?
B4 B2 B3 B1 -100.0(3) 2_666 . . . ?
B5 B2 B3 B1 -137.9(3) 2_666 . . . ?
B6 B2 B3 B1 -37.4(3) . . . . ?
Cl2 B2 B3 B6 -148.3(3) . . . 2_666 ?
B1 B2 B3 B6 101.1(3) . . . 2_666 ?
B4 B2 B3 B6 1.2(4) 2_666 . . 2_666 ?
B5 B2 B3 B6 -36.8(3) 2_666 . . 2_666 ?
B6 B2 B3 B6 63.7(4) . . . 2_666 ?
Cl2 B2 B3 B5 -111.4(3) . . . 2_666 ?
B1 B2 B3 B5 137.9(3) . . . 2_666 ?
B4 B2 B3 B5 38.0(3) 2_666 . . 2_666 ?
B6 B2 B3 B5 100.5(3) . . . 2_666 ?
Cl2 B2 B3 Cl3 -0.4(4) . . . . ?
B1 B2 B3 Cl3 -111.0(3) . . . . ?
B4 B2 B3 Cl3 149.0(3) 2_666 . . . ?
B5 B2 B3 Cl3 111.0(3) 2_666 . . . ?
B6 B2 B3 Cl3 -148.4(3) . . . . ?
B1 B3 B4 B6 138.2(3) . . . 2_666 ?
B2 B3 B4 B6 101.0(3) . . . 2_666 ?
B5 B3 B4 B6 37.0(3) 2_666 . . 2_666 ?
Cl3 B3 B4 B6 -110.3(3) . . . 2_666 ?
B6 B3 B4 B1 -138.2(3) 2_666 . . . ?
B2 B3 B4 B1 -37.2(3) . . . . ?
B5 B3 B4 B1 -101.2(3) 2_666 . . . ?
Cl3 B3 B4 B1 111.4(3) . . . . ?
B1 B3 B4 B5 37.0(3) . . . . ?
B6 B3 B4 B5 -101.2(3) 2_666 . . . ?
B2 B3 B4 B5 -0.2(4) . . . . ?
B5 B3 B4 B5 -64.2(4) 2_666 . . . ?
Cl3 B3 B4 B5 148.5(3) . . . . ?
B1 B3 B4 Cl4 -109.5(3) . . . . ?
B6 B3 B4 Cl4 112.3(3) 2_666 . . . ?
B2 B3 B4 Cl4 -146.7(3) . . . . ?
B5 B3 B4 Cl4 149.3(3) 2_666 . . . ?
Cl3 B3 B4 Cl4 2.0(4) . . . . ?
B1 B3 B4 B2 100.7(3) . . . 2_666 ?
B6 B3 B4 B2 -37.5(3) 2_666 . . 2_666 ?
B2 B3 B4 B2 63.5(4) . . . 2_666 ?
B5 B3 B4 B2 -0.5(4) 2_666 . . 2_666 ?
Cl3 B3 B4 B2 -147.9(3) . . . 2_666 ?
B6 B1 B4 B3 100.8(3) . . . . ?
B5 B1 B4 B3 138.5(3) . . . . ?
B2 B1 B4 B3 36.9(3) . . . . ?
Cl1 B1 B4 B3 -109.8(3) . . . . ?
B3 B1 B4 B6 -37.4(3) . . . 2_666 ?
B6 B1 B4 B6 63.4(4) . . . 2_666 ?
B5 B1 B4 B6 101.0(3) . . . 2_666 ?
B2 B1 B4 B6 -0.6(4) . . . 2_666 ?
Cl1 B1 B4 B6 -147.2(3) . . . 2_666 ?
B3 B1 B4 B5 -138.5(3) . . . . ?
B6 B1 B4 B5 -37.7(3) . . . . ?
B2 B1 B4 B5 -101.6(3) . . . . ?
Cl1 B1 B4 B5 111.8(3) . . . . ?
B3 B1 B4 Cl4 111.8(3) . . . . ?
B6 B1 B4 Cl4 -147.4(3) . . . . ?
B5 B1 B4 Cl4 -109.7(3) . . . . ?
B2 B1 B4 Cl4 148.6(3) . . . . ?
Cl1 B1 B4 Cl4 2.0(4) . . . . ?
B3 B1 B4 B2 -101.3(3) . . . 2_666 ?
B6 B1 B4 B2 -0.5(4) . . . 2_666 ?
B5 B1 B4 B2 37.1(3) . . . 2_666 ?
B2 B1 B4 B2 -64.5(4) . . . 2_666 ?
Cl1 B1 B4 B2 148.9(3) . . . 2_666 ?
B3 B1 B5 B6 -100.8(3) . . . . ?
B4 B1 B5 B6 -137.8(3) . . . . ?
B2 B1 B5 B6 -37.2(3) . . . . ?
Cl1 B1 B5 B6 112.4(3) . . . . ?
B3 B1 B5 Cl5 147.2(3) . . . . ?
B6 B1 B5 Cl5 -112.0(3) . . . . ?
B4 B1 B5 Cl5 110.2(3) . . . . ?
B2 B1 B5 Cl5 -149.2(3) . . . . ?
Cl1 B1 B5 Cl5 0.4(4) . . . . ?
B3 B1 B5 B3 -63.2(4) . . . 2_666 ?
B6 B1 B5 B3 37.7(3) . . . 2_666 ?
B4 B1 B5 B3 -100.2(3) . . . 2_666 ?
B2 B1 B5 B3 0.4(4) . . . 2_666 ?
Cl1 B1 B5 B3 150.1(3) . . . 2_666 ?
B3 B1 B5 B4 37.0(3) . . . . ?
B6 B1 B5 B4 137.8(3) . . . . ?
B2 B1 B5 B4 100.6(3) . . . . ?
Cl1 B1 B5 B4 -109.8(3) . . . . ?
B3 B1 B5 B2 -0.1(4) . . . 2_666 ?
B6 B1 B5 B2 100.7(3) . . . 2_666 ?
B4 B1 B5 B2 -37.1(3) . . . 2_666 ?
B2 B1 B5 B2 63.5(4) . . . 2_666 ?
Cl1 B1 B5 B2 -146.9(3) . . . 2_666 ?
B3 B4 B5 B6 0.5(4) . . . . ?
B6 B4 B5 B6 -63.1(4) 2_666 . . . ?
B1 B4 B5 B6 37.6(3) . . . . ?
Cl4 B4 B5 B6 147.6(3) . . . . ?
B2 B4 B5 B6 -100.9(3) 2_666 . . . ?
B3 B4 B5 B1 -37.1(3) . . . . ?
B6 B4 B5 B1 -100.8(3) 2_666 . . . ?
Cl4 B4 B5 B1 110.0(3) . . . . ?
B2 B4 B5 B1 -138.6(3) 2_666 . . . ?
B3 B4 B5 Cl5 -148.2(3) . . . . ?
B6 B4 B5 Cl5 148.1(3) 2_666 . . . ?
B1 B4 B5 Cl5 -111.1(3) . . . . ?
Cl4 B4 B5 Cl5 -1.1(4) . . . . ?
B2 B4 B5 Cl5 110.3(3) 2_666 . . . ?
B3 B4 B5 B3 63.5(4) . . . 2_666 ?
B6 B4 B5 B3 -0.1(4) 2_666 . . 2_666 ?
B1 B4 B5 B3 100.7(3) . . . 2_666 ?
Cl4 B4 B5 B3 -149.3(3) . . . 2_666 ?
B2 B4 B5 B3 -37.9(3) 2_666 . . 2_666 ?
B3 B4 B5 B2 101.4(3) . . . 2_666 ?
B6 B4 B5 B2 37.8(3) 2_666 . . 2_666 ?
B1 B4 B5 B2 138.6(3) . . . 2_666 ?
Cl4 B4 B5 B2 -111.5(3) . . . 2_666 ?
B1 B5 B6 B3 137.6(3) . . . 2_666 ?
Cl5 B5 B6 B3 -111.8(3) . . . 2_666 ?
B4 B5 B6 B3 100.0(3) . . . 2_666 ?
B2 B5 B6 B3 36.6(3) 2_666 . . 2_666 ?
Cl5 B5 B6 B1 110.6(3) . . . . ?
B3 B5 B6 B1 -137.6(3) 2_666 . . . ?
B4 B5 B6 B1 -37.6(3) . . . . ?
B2 B5 B6 B1 -101.0(3) 2_666 . . . ?
B1 B5 B6 B4 100.7(3) . . . 2_666 ?
Cl5 B5 B6 B4 -148.7(3) . . . 2_666 ?
B3 B5 B6 B4 -36.9(3) 2_666 . . 2_666 ?
B4 B5 B6 B4 63.1(4) . . . 2_666 ?
B2 B5 B6 B4 -0.3(4) 2_666 . . 2_666 ?
B1 B5 B6 B2 37.0(3) . . . . ?
Cl5 B5 B6 B2 147.6(3) . . . . ?
B3 B5 B6 B2 -100.7(3) 2_666 . . . ?
B4 B5 B6 B2 -0.6(4) . . . . ?
B2 B5 B6 B2 -64.0(4) 2_666 . . . ?
B1 B5 B6 Cl6 -111.7(3) . . . . ?
Cl5 B5 B6 Cl6 -1.1(5) . . . . ?
B3 B5 B6 Cl6 110.7(3) 2_666 . . . ?
B4 B5 B6 Cl6 -149.3(3) . . . . ?
B2 B5 B6 Cl6 147.3(3) 2_666 . . . ?
B3 B1 B6 B3 62.9(4) . . . 2_666 ?
B5 B1 B6 B3 -38.0(3) . . . 2_666 ?
B4 B1 B6 B3 -0.2(4) . . . 2_666 ?
B2 B1 B6 B3 100.8(3) . . . 2_666 ?
Cl1 B1 B6 B3 -148.8(3) . . . 2_666 ?
B3 B1 B6 B5 100.9(3) . . . . ?
B4 B1 B6 B5 37.8(3) . . . . ?
B2 B1 B6 B5 138.8(3) . . . . ?
Cl1 B1 B6 B5 -110.8(3) . . . . ?
B3 B1 B6 B4 -0.2(4) . . . 2_666 ?
B5 B1 B6 B4 -101.1(3) . . . 2_666 ?
B4 B1 B6 B4 -63.3(4) . . . 2_666 ?
B2 B1 B6 B4 37.7(3) . . . 2_666 ?
Cl1 B1 B6 B4 148.1(3) . . . 2_666 ?
B3 B1 B6 B2 -37.9(3) . . . . ?
B5 B1 B6 B2 -138.8(3) . . . . ?
B4 B1 B6 B2 -100.9(3) . . . . ?
Cl1 B1 B6 B2 110.5(3) . . . . ?
B3 B1 B6 Cl6 -148.6(3) . . . . ?
B5 B1 B6 Cl6 110.5(3) . . . . ?
B4 B1 B6 Cl6 148.4(3) . . . . ?
B2 B1 B6 Cl6 -110.7(3) . . . . ?
Cl1 B1 B6 Cl6 -0.2(5) . . . . ?
B3 B2 B6 B3 -63.3(4) . . . 2_666 ?
Cl2 B2 B6 B3 149.0(3) . . . 2_666 ?
B1 B2 B6 B3 -100.8(3) . . . 2_666 ?
B4 B2 B6 B3 37.1(3) 2_666 . . 2_666 ?
B5 B2 B6 B3 -0.2(4) 2_666 . . 2_666 ?
B3 B2 B6 B5 0.5(4) . . . . ?
Cl2 B2 B6 B5 -147.2(3) . . . . ?
B1 B2 B6 B5 -37.0(3) . . . . ?
B4 B2 B6 B5 101.0(3) 2_666 . . . ?
B5 B2 B6 B5 63.6(4) 2_666 . . . ?
B3 B2 B6 B1 37.5(3) . . . . ?
Cl2 B2 B6 B1 -110.2(3) . . . . ?
B4 B2 B6 B1 137.9(3) 2_666 . . . ?
B5 B2 B6 B1 100.6(3) 2_666 . . . ?
B3 B2 B6 B4 -100.4(3) . . . 2_666 ?
Cl2 B2 B6 B4 111.9(3) . . . 2_666 ?
B1 B2 B6 B4 -137.9(3) . . . 2_666 ?
B5 B2 B6 B4 -37.3(3) 2_666 . . 2_666 ?
B3 B2 B6 Cl6 149.2(3) . . . . ?
Cl2 B2 B6 Cl6 1.5(4) . . . . ?
B1 B2 B6 Cl6 111.6(3) . . . . ?
B4 B2 B6 Cl6 -110.4(3) 2_666 . . . ?
B5 B2 B6 Cl6 -147.8(3) 2_666 . . . ?
O3 Li1 O1 S1 149.9(8) . . . . ?
O7 Li1 O1 S1 -30.4(15) . . . . ?
O5 Li1 O1 S1 -112.0(10) . . . . ?
O2 Li1 O1 S1 57.3(11) 2_556 . . . ?
Li1 O1 S1 O2 -51.9(10) . . . . ?
O1 S1 O2 Li1 -17.2(9) . . . 2_556 ?
O7 Li1 O3 S2 167.6(6) . . . . ?
O1 Li1 O3 S2 -12.6(11) . . . . ?
O5 Li1 O3 S2 -102.6(8) . . . . ?
O2 Li1 O3 S2 80.6(9) 2_556 . . . ?
Li1 O3 S2 O4 165.9(8) . . . . ?
O3 Li1 O5 S3 -18.7(11) . . . . ?
O7 Li1 O5 S3 96.4(9) . . . . ?
O1 Li1 O5 S3 -122.4(9) . . . . ?
O2 Li1 O5 S3 144.0(18) 2_556 . . . ?
Li1 O5 S3 O6 -167.7(9) . . . . ?
O3 Li1 O7 S4 -126.2(6) . . . . ?
O1 Li1 O7 S4 54.0(11) . . . . ?
O5 Li1 O7 S4 136.3(5) . . . . ?
O2 Li1 O7 S4 -35.8(7) 2_556 . . . ?
Li1 O7 S4 O8 13.1(7) . . . . ?
