# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2021

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

data_LiB11H14_2H2O
_database_code_depnum_ccdc_archive 'CCDC 2031335'
loop_
_audit_author_name
_audit_author_address
'Stephen Moggach'
;The University of Western Australia
Australia
;
_audit_update_record             
;
2020-09-10 deposited with the CCDC.	2021-06-20 downloaded from the CCDC.
;
_audit_creation_date             2020-09-08
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_formula_moiety         'B11 H14, 2(H2 O), Li'
_chemical_formula_sum            'B11 H18 Li O2'
_chemical_formula_weight         175.99
_exptl_crystal_description       block
_exptl_crystal_colour            'clear light colourless'
_diffrn_ambient_temperature      294.9(3)


loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li 0.0008 0.0003 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'
_chemical_absolute_configuration .
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'

_cell_length_a                   10.4298(4)
_cell_length_b                   10.1040(2)
_cell_length_c                   42.3413(16)
_cell_angle_alpha                90
_cell_angle_beta                 91.236(4)
_cell_angle_gamma                90
_cell_volume                     4461.0(3)
_cell_formula_units_Z            16
_cell_measurement_reflns_used    3182
_cell_measurement_temperature    294.9(3)
_cell_measurement_theta_max      66.1480
_cell_measurement_theta_min      6.8340
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.388
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.15406
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.048
_exptl_crystal_F_000             1472
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
4 -5 2 0.0989
6 3 -1 0.0877
-4 6 -2 0.0931
-6 -4 1 0.0570
0 1 -27 0.1160
6 4 -3 0.0837
1 -1 27 0.0589

_exptl_crystal_size_max          0.238
_exptl_crystal_size_mid          0.178
_exptl_crystal_size_min          0.145
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
3.8530 -5.3581 2.2194 0.9424 0.3332 0.0294
6.0042 3.0369 -0.9234 0.0904 0.0311 0.9954
-3.5189 5.5685 -2.2868 -0.9424 -0.3332 0.0295
-5.6926 -3.5569 0.5081 -0.0134 0.0203 -0.9997
-0.3328 0.6826 -27.2451 -0.5216 0.8522 0.0401
5.6417 3.5952 -2.6493 -0.0277 0.0469 0.9985
0.6123 -0.5075 27.2085 0.5221 -0.8529 0.0090

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0293
_diffrn_reflns_av_unetI/netI     0.0323
_diffrn_reflns_Laue_measured_fraction_full 0.663
_diffrn_reflns_Laue_measured_fraction_max 0.660
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            5728
_diffrn_reflns_point_group_measured_fraction_full 0.663
_diffrn_reflns_point_group_measured_fraction_max 0.660
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         67.894
_diffrn_reflns_theta_min         6.419
_diffrn_ambient_environment      air
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.663
_diffrn_measured_fraction_theta_max 0.660
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -118.00 -70.00   0.50    0.50    --  -46.20-131.00-100.00   96
  2  ω    -76.00 -34.00   0.50    0.50    --  -58.00 -79.00-137.38   84
  3  ω    -75.00 -49.00   0.50    0.50    --  -70.00 -78.00-155.16   52
  4  ω    -90.00 -64.00   0.50    2.20    --  -82.00 -65.00 -99.86   52
  5  ω    -90.00 -61.00   0.50    2.20    --  -82.00 -73.00-161.31   58
  6  ω    -87.00 -61.00   0.50    2.20    --  -82.00 -73.00-144.57   52
  7  ω    -92.00 -67.00   0.50    2.20    --  -90.00 -76.00-105.37   50
  8  ω    -97.00 -58.00   0.50    2.20    --  -82.00 -79.00 -54.00   78
  9  ω    -81.00 -52.00   0.50    0.50    --  -74.00 -74.00   3.36   58
 10  ω    -81.00 -50.00   0.50    0.50    --  -74.00 -79.00 -14.95   62
 11  ω    -80.00 -53.00   0.50    0.50    --  -74.00 -73.00  21.03   54
 12  ω    -71.00 -46.00   0.50    0.50    --  -70.00 -80.00  86.15   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'XtaLAB Synergy, Single source at home/near, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0756538000
_diffrn_orient_matrix_UB_12      -0.1151293000
_diffrn_orient_matrix_UB_13      0.0153373000
_diffrn_orient_matrix_UB_21      0.0282127000
_diffrn_orient_matrix_UB_22      -0.0555703000
_diffrn_orient_matrix_UB_23      -0.0330169000
_diffrn_orient_matrix_UB_31      0.1236406000
_diffrn_orient_matrix_UB_32      0.0830522000
_diffrn_orient_matrix_UB_33      -0.0009011000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2286
_reflns_number_total             2682
_reflns_odcompleteness_completeness 67.98
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.49
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.335
_refine_diff_density_min         -0.376
_refine_diff_density_rms         0.079
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.263
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     311
_refine_ls_number_reflns         2682
_refine_ls_number_restraints     34
_refine_ls_R_factor_all          0.0968
_refine_ls_R_factor_gt           0.0909
_refine_ls_restrained_S_all      1.294
_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)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2638
_refine_ls_wR_factor_ref         0.2723
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All O(H,H,H,H,H,H,H,H,H,H,H,H,H,H,H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 H10B-B10A
 1.1 with sigma of 0.02
 O1A-H1AA
 0.867 with sigma of 0.02
 O3A-H3AA
 0.867 with sigma of 0.02
 H3AA-H3AA_$2
 1.374 with sigma of 0.02
 H11B-B11A
 1.1 with sigma of 0.02
 H1AA-H1AA_$2
 1.374 with sigma of 0.02
 H7AB-B8A
 1.1 with sigma of 0.02
 H7AB-B7A
 1.1 with sigma of 0.02
 H9C-B9
 1.1 with sigma of 0.02
 H7B-B7
 1.1 with sigma of 0.02
 O1-H1B
 0.87 with sigma of 0.02
 B11A-H11A
 1.1 with sigma of 0.02
 B10A-H10B
 1.1 with sigma of 0.02
 B7A-H7AB
 1.1 with sigma of 0.02
 B9A-H10B
 1.1 with sigma of 0.02
 B9-H9B
 1.1 with sigma of 0.02
 B8A-H8A
 1.1 with sigma of 0.02
 H10C-B10
 1.1 with sigma of 0.02
 B10-H10D
 1.1 with sigma of 0.02
 B7A-H7AA
 1.1 with sigma of 0.02
 B11-H11
 1.1 with sigma of 0.02
 B8A-H7AB
 1.1 with sigma of 0.02
 B11-H10D
 1.1 with sigma of 0.02
 B9A-H9A
 1.1 with sigma of 0.02
 B7-H7B
 1.1 with sigma of 0.02
 H7A-B7
 1.1 with sigma of 0.02
 B10A-H10A
 1.1 with sigma of 0.02
 H9B-B9
 1.1 with sigma of 0.02
 B11A-H11B
 1.1 with sigma of 0.02
 H8-B8
 1.1 with sigma of 0.02
 B8-H9C
 1.1 with sigma of 0.02
 H1C-H1B
 1.374 with sigma of 0.02
 H1B_$1-H1C_$1
 1.374 with sigma of 0.02
 B7A-H7AB \\sim B8A-H7AB
 with sigma of 0.02
3.a Rotating group:
 O2(H2B,H2C), O2A(H2AA,H2AB), O1(H1B,H1C)
3.b Boron cage BH refined with riding coordinates:
 B5(H5), B3A(H3A), B3(H3), B2A(H2A), B1A(H1A), B6(H6), B4(H4), B1(H1),
 B4A(H4A), B5A(H5A), B6A(H6A), B2(H2)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
O2 O 0.4545(2) 0.7271(2) 0.54241(5) 0.0609(8) Uani 1 1 d . . . . .
H2B H 0.421166 0.686792 0.558594 0.091 Uiso 1 1 d R U . . .
H2C H 0.525879 0.760677 0.550074 0.091 Uiso 1 1 d R U . . .
O2A O 0.8125(2) 0.3153(2) 0.20068(6) 0.0661(8) Uani 1 1 d . . . . .
H2AA H 0.754056 0.266659 0.191098 0.099 Uiso 1 1 d R U . . .
H2AB H 0.841335 0.366180 0.185649 0.099 Uiso 1 1 d R U . . .
B5 B 0.5663(3) 0.8048(3) 0.46150(7) 0.0358(9) Uani 1 1 d . . . . .
H5 H 0.548151 0.847543 0.484866 0.043 Uiso 1 1 calc R U . . .
B3A B 0.6705(3) 0.3418(3) 0.28396(7) 0.0349(8) Uani 1 1 d . . . . .
H3A H 0.677509 0.372541 0.259132 0.042 Uiso 1 1 calc R U . . .
B3 B 0.7491(3) 0.7261(3) 0.41607(7) 0.0331(8) Uani 1 1 d . . . . .
H3 H 0.850335 0.716579 0.409685 0.040 Uiso 1 1 calc R U . . .
B7 B 0.4337(3) 0.7521(3) 0.43810(7) 0.0344(8) Uani 1 1 d D . . . .
B2A B 0.5407(3) 0.2437(3) 0.29710(7) 0.0362(8) Uani 1 1 d . . . . .
H2A H 0.463629 0.210688 0.280815 0.043 Uiso 1 1 calc R U . . .
B1A B 0.6969(3) 0.1759(3) 0.29605(7) 0.0337(8) Uani 1 1 d . . . . .
H1A H 0.721858 0.098918 0.278866 0.040 Uiso 1 1 calc R U . . .
B11A B 0.6500(3) 0.2352(3) 0.36123(7) 0.0409(9) Uani 1 1 d D . . . .
B6 B 0.5425(3) 0.6338(3) 0.45308(7) 0.0347(8) Uani 1 1 d . . . . .
H6 H 0.508348 0.564323 0.471038 0.042 Uiso 1 1 calc R U . . .
B9 B 0.6314(3) 0.6701(3) 0.38879(7) 0.0360(8) Uani 1 1 d D . . . .
B4 B 0.6956(3) 0.8616(3) 0.43887(7) 0.0369(8) Uani 1 1 d . . . . .
H4 H 0.761013 0.939355 0.447637 0.044 Uiso 1 1 calc R U . . .
B1 B 0.6990(3) 0.6992(3) 0.45494(7) 0.0376(9) Uani 1 1 d . . . . .
H1 H 0.766841 0.672153 0.474116 0.045 Uiso 1 1 calc R U . . .
B10 B 0.6571(3) 0.8533(3) 0.39819(7) 0.0358(8) Uani 1 1 d D . . . .
B8 B 0.4947(3) 0.6094(3) 0.41308(7) 0.0376(9) Uani 1 1 d D . . . .
B7A B 0.5025(3) 0.2813(3) 0.33670(8) 0.0391(9) Uani 1 1 d D . . . .
B4A B 0.8082(3) 0.2989(3) 0.30761(7) 0.0337(8) Uani 1 1 d . . . . .
H4A H 0.905412 0.301577 0.298044 0.040 Uiso 1 1 calc R U . . .
B10A B 0.7877(3) 0.3402(3) 0.34743(7) 0.0411(9) Uani 1 1 d D . . . .
B5A B 0.7624(3) 0.1752(3) 0.33497(7) 0.0374(9) Uani 1 1 d . . . . .
H5A H 0.829412 0.097879 0.343207 0.045 Uiso 1 1 calc R U . . .
B6A B 0.5983(3) 0.1415(3) 0.32833(8) 0.0401(9) Uani 1 1 d . . . . .
H6A H 0.558429 0.042085 0.332132 0.048 Uiso 1 1 calc R U . . .
B9A B 0.7284(3) 0.4493(3) 0.31402(8) 0.0426(9) Uani 1 1 d D . . . .
B8A B 0.5511(3) 0.4134(3) 0.30712(7) 0.0376(8) Uani 1 1 d D . . . .
B11 B 0.5352(3) 0.9019(3) 0.42742(8) 0.0397(9) Uani 1 1 d D . . . .
B2 B 0.6569(3) 0.5848(3) 0.42515(8) 0.0409(9) Uani 1 1 d . . . . .
H2 H 0.697415 0.484301 0.424993 0.049 Uiso 1 1 calc R U . . .
Li1 Li 0.3882(5) 0.7388(5) 0.50118(13) 0.0502(13) Uani 1 1 d . . . . .
Li1A Li 0.8648(6) 0.3113(5) 0.24386(15) 0.0626(16) Uani 1 1 d . . . . .
O1 O 0.24039(17) 0.60442(16) 0.49970(4) 0.0416(6) Uani 1 1 d D . . . .
H1B H 0.208390 0.545336 0.515944 0.062 Uiso 1 1 d DR U . . .
H1C H 0.258088 0.561397 0.482954 0.062 Uiso 1 1 d DR U . . .
O1A O 1.000000 0.1678(2) 0.250000 0.0564(10) Uani 1 2 d DS T P . .
O3A O 1.000000 0.4543(2) 0.250000 0.0444(8) Uani 1 2 d DS T P . .
H8A H 0.482(2) 0.489(2) 0.2981(6) 0.053 Uiso 1 1 d D U . . .
H10A H 0.861(2) 0.369(3) 0.3649(6) 0.053 Uiso 1 1 d D U . . .
H9A H 0.772(3) 0.541(2) 0.3064(7) 0.053 Uiso 1 1 d D U . . .
H7AA H 0.404(2) 0.267(3) 0.3449(7) 0.053 Uiso 1 1 d D U . . .
H11A H 0.642(3) 0.199(3) 0.3854(5) 0.053 Uiso 1 1 d D U . . .
H10C H 0.703(3) 0.916(3) 0.3809(6) 0.053 Uiso 1 1 d D U . . .
H7A H 0.339(2) 0.766(3) 0.4476(7) 0.053 Uiso 1 1 d D U . . .
H8 H 0.443(3) 0.518(2) 0.4087(7) 0.053 Uiso 1 1 d D U . . .
H9B H 0.658(3) 0.624(3) 0.3665(4) 0.053 Uiso 1 1 d D U . . .
H11 H 0.503(3) 1.0025(19) 0.4288(7) 0.053 Uiso 1 1 d D U . . .
H10D H 0.5541(19) 0.878(3) 0.4026(5) 0.053 Uiso 1 1 d D U . . .
H10B H 0.737(3) 0.4368(19) 0.3411(4) 0.053 Uiso 1 1 d D U . . .
H11B H 0.619(3) 0.3397(16) 0.3612(7) 0.053 Uiso 1 1 d D U . . .
H7AB H 0.525(3) 0.3877(14) 0.3317(4) 0.053 Uiso 1 1 d D U . . .
H9C H 0.5195(17) 0.671(3) 0.3905(5) 0.053 Uiso 1 1 d D U . . .
H7B H 0.421(3) 0.795(3) 0.4138(4) 0.053 Uiso 1 1 d D U . . .
H1AA H 1.013(4) 0.118(3) 0.2342(3) 0.067 Uiso 1 1 d D U . . .
H3AA H 1.017(3) 0.504(3) 0.2346(3) 0.067 Uiso 1 1 d D U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O2 H2B 0.8755 . ?
O2 H2C 0.8740 . ?
O2 Li1 1.868(6) . ?
O2A H2AA 0.8752 . ?
O2A H2AB 0.8767 . ?
O2A Li1A 1.897(6) . ?
B5 H5 1.1000 . ?
B5 B7 1.767(4) . ?
B5 B6 1.780(4) . ?
B5 B4 1.766(5) . ?
B5 B1 1.773(4) . ?
B5 B11 1.769(4) . ?
B3A H3A 1.1000 . ?
B3A B2A 1.776(5) . ?
B3A B1A 1.773(4) . ?
B3A B4A 1.787(4) . ?
B3A B9A 1.769(4) . ?
B3A B8A 1.757(5) . ?
B3 H3 1.1000 . ?
B3 B9 1.760(4) . ?
B3 B4 1.772(4) . ?
B3 B1 1.759(5) . ?
B3 B10 1.765(4) . ?
B3 B2 1.768(4) . ?
B7 B6 1.757(4) . ?
B7 B8 1.906(4) . ?
B7 B11 1.907(4) . ?
B7 H7A 1.086(18) . ?
B7 H7B 1.119(14) . ?
B2A H2A 1.1000 . ?
B2A B1A 1.769(4) . ?
B2A B7A 1.773(5) . ?
B2A B6A 1.773(4) . ?
B2A B8A 1.769(4) . ?
B1A H1A 1.1000 . ?
B1A B4A 1.763(4) . ?
B1A B5A 1.770(4) . ?
B1A B6A 1.763(5) . ?
B11A B7A 1.895(4) . ?
B11A B10A 1.888(5) . ?
B11A B5A 1.743(5) . ?
B11A B6A 1.760(4) . ?
B11A H11A 1.092(18) . ?
B11A H11B 1.104(14) . ?
B6 H6 1.1000 . ?
B6 B1 1.761(4) . ?
B6 B8 1.772(4) . ?
B6 B2 1.769(5) . ?
B9 B10 1.910(4) . ?
B9 B8 1.879(5) . ?
B9 B2 1.779(4) . ?
B9 H9B 1.093(14) . ?
B9 H9C 1.171(18) . ?
B4 H4 1.1000 . ?
B4 B1 1.776(4) . ?
B4 B10 1.762(4) . ?
B4 B11 1.779(4) . ?
B1 H1 1.1000 . ?
B1 B2 1.759(4) . ?
B10 B11 1.859(5) . ?
B10 H10C 1.090(18) . ?
B10 H10D 1.121(18) . ?
B8 B2 1.774(4) . ?
B8 H8 1.087(18) . ?
B8 H9C 1.174(18) . ?
B7A B6A 1.771(4) . ?
B7A B8A 1.906(4) . ?
B7A H7AA 1.105(18) . ?
B7A H7AB 1.122(11) . ?
B4A H4A 1.1000 . ?
B4A B10A 1.755(4) . ?
B4A B5A 1.776(4) . ?
B4A B9A 1.757(4) . ?
B10A B5A 1.766(4) . ?
B10A B9A 1.887(4) . ?
B10A H10A 1.094(18) . ?
B10A H10B 1.141(13) . ?
B5A H5A 1.1000 . ?
B5A B6A 1.762(4) . ?
B6A H6A 1.1000 . ?
B9A B8A 1.900(5) . ?
B9A H9A 1.085(18) . ?
B9A H10B 1.153(17) . ?
B8A H8A 1.107(18) . ?
B8A H7AB 1.113(11) . ?
B11 H11 1.072(17) . ?
B11 H10D 1.101(17) . ?
B2 H2 1.1000 . ?
Li1 O1 2.076(5) 7_566 ?
Li1 O1 2.054(5) . ?
Li1 H7A 2.33(3) . ?
Li1A O1A 2.035(6) . ?
Li1A O3A 2.032(6) . ?
O1 H1B 0.9749 . ?
O1 H1C 0.8554 . ?
O1A H1AA 0.852(16) 2_755 ?
O1A H1AA 0.852(16) . ?
O3A H3AA 0.847(16) . ?
O3A H3AA 0.847(16) 2_755 ?

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
H2B O2 H2C 103.9 . . ?
Li1 O2 H2B 128.0 . . ?
Li1 O2 H2C 128.1 . . ?
H2AA O2A H2AB 103.9 . . ?
Li1A O2A H2AA 128.1 . . ?
Li1A O2A H2AB 128.0 . . ?
B7 B5 H5 118.3 . . ?
B7 B5 B6 59.39(15) . . ?
B7 B5 B1 109.6(2) . . ?
B7 B5 B11 65.28(16) . . ?
B6 B5 H5 122.4 . . ?
B4 B5 H5 120.6 . . ?
B4 B5 B7 113.0(2) . . ?
B4 B5 B6 108.2(2) . . ?
B4 B5 B1 60.24(17) . . ?
B4 B5 B11 60.42(18) . . ?
B1 B5 H5 121.8 . . ?
B1 B5 B6 59.41(17) . . ?
B11 B5 H5 118.9 . . ?
B11 B5 B6 110.63(19) . . ?
B11 B5 B1 109.7(2) . . ?
B2A B3A H3A 121.6 . . ?
B2A B3A B4A 107.3(2) . . ?
B1A B3A H3A 122.0 . . ?
B1A B3A B2A 59.77(17) . . ?
B1A B3A B4A 59.37(15) . . ?
B4A B3A H3A 122.3 . . ?
B9A B3A H3A 119.0 . . ?
B9A B3A B2A 111.6(2) . . ?
B9A B3A B1A 108.91(19) . . ?
B9A B3A B4A 59.21(16) . . ?
B8A B3A H3A 118.7 . . ?
B8A B3A B2A 60.07(17) . . ?
B8A B3A B1A 109.6(2) . . ?
B8A B3A B4A 111.0(2) . . ?
B8A B3A B9A 65.21(19) . . ?
B9 B3 H3 118.1 . . ?
B9 B3 B4 112.5(2) . . ?
B9 B3 B10 65.64(16) . . ?
B9 B3 B2 60.58(17) . . ?
B4 B3 H3 121.1 . . ?
B1 B3 H3 121.5 . . ?
B1 B3 B9 110.3(2) . . ?
B1 B3 B4 60.40(18) . . ?
B1 B3 B10 110.1(2) . . ?
B1 B3 B2 59.86(18) . . ?
B10 B3 H3 118.3 . . ?
B10 B3 B4 59.76(16) . . ?
B10 B3 B2 112.8(2) . . ?
B2 B3 H3 120.8 . . ?
B2 B3 B4 109.0(2) . . ?
B5 B7 B8 105.8(2) . . ?
B5 B7 B11 57.43(16) . . ?
B5 B7 H7A 117.7(16) . . ?
B5 B7 H7B 118.1(17) . . ?
B6 B7 B5 60.69(16) . . ?
B6 B7 B8 57.69(16) . . ?
B6 B7 B11 105.5(2) . . ?
B6 B7 H7A 122.8(16) . . ?
B6 B7 H7B 130.9(17) . . ?
B8 B7 B11 105.9(2) . . ?
B8 B7 H7A 128.4(16) . . ?
B8 B7 H7B 79.4(16) . . ?
B11 B7 H7A 120.1(16) . . ?
B11 B7 H7B 61.9(16) . . ?
H7A B7 H7B 102(2) . . ?
B3A B2A H2A 121.6 . . ?
B1A B2A B3A 60.01(17) . . ?
B1A B2A H2A 121.9 . . ?
B1A B2A B7A 109.4(2) . . ?
B1A B2A B6A 59.70(18) . . ?
B1A B2A B8A 109.3(2) . . ?
B7A B2A B3A 111.4(2) . . ?
B7A B2A H2A 118.8 . . ?
B6A B2A B3A 108.1(2) . . ?
B6A B2A H2A 121.5 . . ?
B6A B2A B7A 59.93(17) . . ?
B8A B2A B3A 59.42(18) . . ?
B8A B2A H2A 119.0 . . ?
B8A B2A B7A 65.14(18) . . ?
B8A B2A B6A 111.60(19) . . ?
B3A B1A H1A 121.0 . . ?
B2A B1A B3A 60.21(17) . . ?
B2A B1A H1A 121.4 . . ?
B2A B1A B5A 108.4(2) . . ?
B4A B1A B3A 60.71(15) . . ?
B4A B1A B2A 108.73(19) . . ?
B4A B1A H1A 121.2 . . ?
B4A B1A B5A 60.36(16) . . ?
B5A B1A B3A 109.07(18) . . ?
B5A B1A H1A 121.4 . . ?
B6A B1A B3A 108.7(2) . . ?
B6A B1A B2A 60.27(18) . . ?
B6A B1A H1A 121.6 . . ?
B6A B1A B4A 108.4(2) . . ?
B6A B1A B5A 59.83(18) . . ?
B7A B11A H11A 121.5(17) . . ?
B7A B11A H11B 62.0(16) . . ?
B10A B11A B7A 107.8(2) . . ?
B10A B11A H11A 123.3(17) . . ?
B10A B11A H11B 71.9(17) . . ?
B5A B11A B7A 106.6(2) . . ?
B5A B11A B10A 58.04(18) . . ?
B5A B11A B6A 60.41(19) . . ?
B5A B11A H11A 123.0(17) . . ?
B5A B11A H11B 122.4(16) . . ?
B6A B11A B7A 57.82(16) . . ?
B6A B11A B10A 106.2(2) . . ?
B6A B11A H11A 122.3(16) . . ?
B6A B11A H11B 115.5(16) . . ?
H11A B11A H11B 107(2) . . ?
B5 B6 H6 121.8 . . ?
B7 B6 B5 59.92(15) . . ?
B7 B6 H6 117.9 . . ?
B7 B6 B1 110.6(2) . . ?
B7 B6 B8 65.39(16) . . ?
B7 B6 B2 112.9(2) . . ?
B1 B6 B5 60.11(17) . . ?
B1 B6 H6 121.5 . . ?
B1 B6 B8 109.7(2) . . ?
B1 B6 B2 59.79(18) . . ?
B8 B6 B5 111.20(19) . . ?
B8 B6 H6 118.9 . . ?
B2 B6 B5 108.2(2) . . ?
B2 B6 H6 121.1 . . ?
B2 B6 B8 60.14(17) . . ?
B3 B9 B10 57.30(14) . . ?
B3 B9 B8 105.8(2) . . ?
B3 B9 B2 59.93(16) . . ?
B3 B9 H9B 120.9(17) . . ?
B3 B9 H9C 129.6(14) . . ?
B10 B9 H9B 123.6(16) . . ?
B10 B9 H9C 96.5(15) . . ?
B8 B9 B10 107.9(2) . . ?
B8 B9 H9B 123.1(17) . . ?
B8 B9 H9C 36.8(9) . . ?
B2 B9 B10 105.76(18) . . ?
B2 B9 B8 57.96(17) . . ?
B2 B9 H9B 120.3(16) . . ?
B2 B9 H9C 94.6(10) . . ?
H9B B9 H9C 109(2) . . ?
B5 B4 B3 107.3(2) . . ?
B5 B4 H4 121.6 . . ?
B5 B4 B1 60.07(18) . . ?
B5 B4 B11 59.86(18) . . ?
B3 B4 H4 122.4 . . ?
B3 B4 B1 59.43(17) . . ?
B3 B4 B11 109.5(2) . . ?
B1 B4 H4 121.6 . . ?
B1 B4 B11 109.1(2) . . ?
B10 B4 B5 110.73(19) . . ?
B10 B4 B3 59.91(16) . . ?
B10 B4 H4 119.4 . . ?
B10 B4 B1 109.44(18) . . ?
B10 B4 B11 63.34(19) . . ?
B11 B4 H4 120.1 . . ?
B5 B1 B4 59.69(18) . . ?
B5 B1 H1 121.7 . . ?
B3 B1 B5 107.58(19) . . ?
B3 B1 B6 108.0(2) . . ?
B3 B1 B4 60.17(17) . . ?
B3 B1 H1 122.0 . . ?
B3 B1 B2 60.32(17) . . ?
B6 B1 B5 60.48(17) . . ?
B6 B1 B4 108.58(19) . . ?
B6 B1 H1 121.4 . . ?
B4 B1 H1 121.3 . . ?
B2 B1 B5 108.91(18) . . ?
B2 B1 B6 60.33(18) . . ?
B2 B1 B4 109.23(19) . . ?
B2 B1 H1 120.8 . . ?
B3 B10 B9 57.05(14) . . ?
B3 B10 B11 106.3(2) . . ?
B3 B10 H10C 118.0(17) . . ?
B3 B10 H10D 127.0(15) . . ?
B9 B10 H10C 119.1(16) . . ?
B9 B10 H10D 96.7(16) . . ?
B4 B10 B3 60.33(16) . . ?
B4 B10 B9 106.11(18) . . ?
B4 B10 B11 58.78(17) . . ?
B4 B10 H10C 122.4(16) . . ?
B4 B10 H10D 91.5(11) . . ?
B11 B10 B9 107.4(2) . . ?
B11 B10 H10C 127.7(16) . . ?
B11 B10 H10D 32.9(10) . . ?
H10C B10 H10D 115(2) . . ?
B7 B8 H8 124.9(17) . . ?
B7 B8 H9C 97.6(15) . . ?
B6 B8 B7 56.92(15) . . ?
B6 B8 B9 106.04(19) . . ?
B6 B8 B2 59.84(18) . . ?
B6 B8 H8 114.2(15) . . ?
B6 B8 H9C 129.8(14) . . ?
B9 B8 B7 108.88(19) . . ?
B9 B8 H8 124.3(16) . . ?
B9 B8 H9C 36.7(9) . . ?
B2 B8 B7 105.89(19) . . ?
B2 B8 B9 58.20(17) . . ?
B2 B8 H8 113.2(16) . . ?
B2 B8 H9C 94.8(10) . . ?
H8 B8 H9C 116(2) . . ?
B2A B7A B11A 105.6(2) . . ?
B2A B7A B8A 57.33(16) . . ?
B2A B7A H7AA 120.0(16) . . ?
B2A B7A H7AB 88.6(8) . . ?
B11A B7A B8A 107.9(2) . . ?
B11A B7A H7AA 123.1(16) . . ?
B11A B7A H7AB 99.7(16) . . ?
B6A B7A B2A 60.04(18) . . ?
B6A B7A B11A 57.25(17) . . ?
B6A B7A B8A 105.5(2) . . ?
B6A B7A H7AA 119.4(16) . . ?
B6A B7A H7AB 127.3(14) . . ?
B8A B7A H7AA 124.3(16) . . ?
B8A B7A H7AB 31.3(8) . . ?
H7AA B7A H7AB 113(2) . . ?
B3A B4A H4A 121.6 . . ?
B1A B4A B3A 59.93(15) . . ?
B1A B4A H4A 121.5 . . ?
B1A B4A B5A 60.03(16) . . ?
B10A B4A B3A 111.6(2) . . ?
B10A B4A B1A 109.9(2) . . ?
B10A B4A H4A 118.7 . . ?
B10A B4A B5A 60.02(17) . . ?
B10A B4A B9A 65.02(18) . . ?
B5A B4A B3A 108.2(2) . . ?
B5A B4A H4A 121.4 . . ?
B9A B4A B3A 59.90(17) . . ?
B9A B4A B1A 109.9(2) . . ?
B9A B4A H4A 118.6 . . ?
B9A B4A B5A 111.9(3) . . ?
B11A B10A H10A 118.0(15) . . ?
B11A B10A H10B 101.6(16) . . ?
B4A B10A B11A 105.9(2) . . ?
B4A B10A B5A 60.59(17) . . ?
B4A B10A B9A 57.54(16) . . ?
B4A B10A H10A 127.9(16) . . ?
B4A B10A H10B 92.4(10) . . ?
B5A B10A B11A 56.85(19) . . ?
B5A B10A B9A 106.43(18) . . ?
B5A B10A H10A 123.5(16) . . ?
B5A B10A H10B 132.2(14) . . ?
B9A B10A B11A 108.71(19) . . ?
B9A B10A H10A 124.4(16) . . ?
B9A B10A H10B 34.9(10) . . ?
H10A B10A H10B 104(2) . . ?
B1A B5A B4A 59.61(15) . . ?
B1A B5A H5A 121.8 . . ?
B11A B5A B1A 109.9(2) . . ?
B11A B5A B4A 111.5(2) . . ?
B11A B5A B10A 65.11(19) . . ?
B11A B5A H5A 118.4 . . ?
B11A B5A B6A 60.27(18) . . ?
B4A B5A H5A 121.9 . . ?
B10A B5A B1A 109.07(18) . . ?
B10A B5A B4A 59.38(17) . . ?
B10A B5A H5A 119.1 . . ?
B6A B5A B1A 59.87(18) . . ?
B6A B5A B4A 107.83(19) . . ?
B6A B5A B10A 111.6(2) . . ?
B6A B5A H5A 121.4 . . ?
B2A B6A H6A 121.2 . . ?
B1A B6A B2A 60.03(18) . . ?
B1A B6A B7A 109.8(2) . . ?
B1A B6A H6A 121.5 . . ?
B11A B6A B2A 111.7(2) . . ?
B11A B6A B1A 109.5(2) . . ?
B11A B6A B7A 64.93(18) . . ?
B11A B6A B5A 59.32(19) . . ?
B11A B6A H6A 119.1 . . ?
B7A B6A B2A 60.03(18) . . ?
B7A B6A H6A 118.8 . . ?
B5A B6A B2A 108.6(2) . . ?
B5A B6A B1A 60.30(17) . . ?
B5A B6A B7A 111.3(2) . . ?
B5A B6A H6A 121.5 . . ?
B3A B9A B10A 106.38(18) . . ?
B3A B9A B8A 57.09(17) . . ?
B3A B9A H9A 116.8(16) . . ?
B3A B9A H10B 131.7(13) . . ?
B4A B9A B3A 60.89(16) . . ?
B4A B9A B10A 57.43(16) . . ?
B4A B9A B8A 105.91(19) . . ?
B4A B9A H9A 119.1(17) . . ?
B4A B9A H10B 91.9(8) . . ?
B10A B9A B8A 107.8(2) . . ?
B10A B9A H9A 125.9(16) . . ?
B10A B9A H10B 34.5(8) . . ?
B8A B9A H9A 122.3(16) . . ?
B8A B9A H10B 100.7(15) . . ?
H9A B9A H10B 111(2) . . ?
B3A B8A B2A 60.51(18) . . ?
B3A B8A B7A 106.3(2) . . ?
B3A B8A B9A 57.70(17) . . ?
B3A B8A H8A 123.5(15) . . ?
B3A B8A H7AB 128.1(14) . . ?
B2A B8A B7A 57.53(17) . . ?
B2A B8A B9A 106.0(2) . . ?
B2A B8A H8A 123.2(15) . . ?
B2A B8A H7AB 89.1(8) . . ?
B7A B8A H8A 121.9(16) . . ?
B7A B8A H7AB 31.6(8) . . ?
B9A B8A B7A 107.71(19) . . ?
B9A B8A H8A 122.8(16) . . ?
B9A B8A H7AB 99.1(16) . . ?
H8A B8A H7AB 108(2) . . ?
B5 B11 B7 57.29(15) . . ?
B5 B11 B4 59.71(18) . . ?
B5 B11 B10 106.3(2) . . ?
B5 B11 H11 122.3(16) . . ?
B5 B11 H10D 128.4(15) . . ?
B7 B11 H11 124.3(18) . . ?
B7 B11 H10D 99.2(16) . . ?
B4 B11 B7 106.10(19) . . ?
B4 B11 B10 57.89(17) . . ?
B4 B11 H11 119.7(17) . . ?
B4 B11 H10D 91.2(11) . . ?
B10 B11 B7 109.8(2) . . ?
B10 B11 H11 120.4(17) . . ?
B10 B11 H10D 33.5(11) . . ?
H11 B11 H10D 109(2) . . ?
B3 B2 B6 107.3(2) . . ?
B3 B2 B9 59.50(15) . . ?
B3 B2 B8 110.11(19) . . ?
B3 B2 H2 122.3 . . ?
B6 B2 B9 110.6(2) . . ?
B6 B2 B8 60.02(18) . . ?
B6 B2 H2 121.8 . . ?
B9 B2 H2 119.5 . . ?
B1 B2 B3 59.83(17) . . ?
B1 B2 B6 59.87(18) . . ?
B1 B2 B9 109.42(19) . . ?
B1 B2 B8 109.6(2) . . ?
B1 B2 H2 121.4 . . ?
B8 B2 B9 63.85(18) . . ?
B8 B2 H2 119.4 . . ?
O2 Li1 O1 104.4(3) . . ?
O2 Li1 O1 106.9(3) . 7_566 ?
O2 Li1 H7A 170.6(6) . . ?
O1 Li1 O1 91.1(2) . 7_566 ?
O1 Li1 H7A 76.3(6) 7_566 . ?
O1 Li1 H7A 84.1(7) . . ?
O2A Li1A O1A 108.8(3) . . ?
O2A Li1A O3A 107.0(3) . . ?
O3A Li1A O1A 90.7(2) . . ?
Li1 O1 Li1 88.9(2) . 7_566 ?
Li1 O1 H1B 104.4 7_566 . ?
Li1 O1 H1B 130.6 . . ?
Li1 O1 H1C 100.7 . . ?
Li1 O1 H1C 121.6 7_566 . ?
H1B O1 H1C 110.9 . . ?
Li1A O1A Li1A 89.2(3) 2_755 . ?
Li1A O1A H1AA 114(2) . 2_755 ?
Li1A O1A H1AA 116(2) 2_755 2_755 ?
Li1A O1A H1AA 114(2) 2_755 . ?
Li1A O1A H1AA 116(2) . . ?
H1AA O1A H1AA 108(3) . 2_755 ?
Li1A O3A Li1A 89.3(3) . 2_755 ?
Li1A O3A H3AA 111(2) . 2_755 ?
Li1A O3A H3AA 119(2) 2_755 2_755 ?
Li1A O3A H3AA 119(2) . . ?
Li1A O3A H3AA 111(2) 2_755 . ?
H3AA O3A H3AA 107(3) . 2_755 ?

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
B5 B7 B6 B1 -33.6(2) . . . . ?
B5 B7 B6 B8 -136.5(2) . . . . ?
B5 B7 B6 B2 -98.4(2) . . . . ?
B5 B6 B1 B3 -100.4(2) . . . . ?
B5 B6 B1 B4 -36.7(2) . . . . ?
B5 B6 B1 B2 -138.69(19) . . . . ?
B5 B6 B8 B7 -39.7(2) . . . . ?
B5 B6 B8 B9 62.7(3) . . . . ?
B5 B6 B8 B2 99.4(2) . . . . ?
B5 B6 B2 B3 -0.8(2) . . . . ?
B5 B6 B2 B9 -64.0(2) . . . . ?
B5 B6 B2 B1 37.04(17) . . . . ?
B5 B6 B2 B8 -104.5(2) . . . . ?
B5 B4 B1 B3 137.6(2) . . . . ?
B5 B4 B1 B6 37.0(2) . . . . ?
B5 B4 B1 B2 101.2(2) . . . . ?
B5 B4 B10 B3 -98.5(2) . . . . ?
B5 B4 B10 B9 -63.2(3) . . . . ?
B5 B4 B10 B11 37.74(19) . . . . ?
B5 B4 B11 B7 -34.92(19) . . . . ?
B5 B4 B11 B10 -138.6(2) . . . . ?
B5 B1 B2 B3 99.9(2) . . . . ?
B5 B1 B2 B6 -37.39(19) . . . . ?
B5 B1 B2 B9 65.8(3) . . . . ?
B5 B1 B2 B8 -2.5(3) . . . . ?
B3A B2A B1A B4A 37.9(2) . . . . ?
B3A B2A B1A B5A 101.9(2) . . . . ?
B3A B2A B1A B6A 138.8(2) . . . . ?
B3A B2A B7A B11A -63.2(2) . . . . ?
B3A B2A B7A B6A -99.1(2) . . . . ?
B3A B2A B7A B8A 38.4(2) . . . . ?
B3A B2A B6A B1A -36.9(2) . . . . ?
B3A B2A B6A B11A 63.8(3) . . . . ?
B3A B2A B6A B7A 104.8(2) . . . . ?
B3A B2A B6A B5A 0.3(3) . . . . ?
B3A B2A B8A B7A -137.8(2) . . . . ?
B3A B2A B8A B9A -36.76(19) . . . . ?
B3A B1A B4A B10A 104.0(2) . . . . ?
B3A B1A B4A B5A 138.6(2) . . . . ?
B3A B1A B4A B9A 34.2(2) . . . . ?
B3A B1A B5A B11A 66.2(3) . . . . ?
B3A B1A B5A B4A -37.6(2) . . . . ?
B3A B1A B5A B10A -3.4(3) . . . . ?
B3A B1A B5A B6A 101.1(2) . . . . ?
B3A B1A B6A B2A 37.10(18) . . . . ?
B3A B1A B6A B11A -67.3(2) . . . . ?
B3A B1A B6A B7A 2.2(3) . . . . ?
B3A B1A B6A B5A -101.66(19) . . . . ?
B3A B4A B10A B11A 63.6(3) . . . . ?
B3A B4A B10A B5A 99.2(2) . . . . ?
B3A B4A B10A B9A -38.8(2) . . . . ?
B3A B4A B5A B1A 37.0(2) . . . . ?
B3A B4A B5A B11A -64.2(3) . . . . ?
B3A B4A B5A B10A -104.9(2) . . . . ?
B3A B4A B5A B6A 0.1(3) . . . . ?
B3A B4A B9A B10A 137.6(2) . . . . ?
B3A B4A B9A B8A 36.4(2) . . . . ?
B3 B9 B8 B7 59.7(2) . . . . ?
B3 B9 B8 B6 -0.2(2) . . . . ?
B3 B9 B8 B2 -37.66(18) . . . . ?
B3 B9 B2 B6 98.4(2) . . . . ?
B3 B9 B2 B1 34.3(2) . . . . ?
B3 B9 B2 B8 137.2(2) . . . . ?
B3 B4 B1 B5 -137.6(2) . . . . ?
B3 B4 B1 B6 -100.6(2) . . . . ?
B3 B4 B1 B2 -36.4(2) . . . . ?
B3 B4 B10 B9 35.3(2) . . . . ?
B3 B4 B10 B11 136.3(2) . . . . ?
B3 B4 B11 B5 99.2(2) . . . . ?
B3 B4 B11 B7 64.2(3) . . . . ?
B3 B4 B11 B10 -39.4(2) . . . . ?
B3 B1 B2 B6 -137.3(2) . . . . ?
B3 B1 B2 B9 -34.2(2) . . . . ?
B3 B1 B2 B8 -102.4(2) . . . . ?
B3 B10 B11 B5 2.2(2) . . . . ?
B3 B10 B11 B7 -58.2(2) . . . . ?
B3 B10 B11 B4 38.75(18) . . . . ?
B7 B5 B6 B1 143.3(2) . . . . ?
B7 B5 B6 B8 42.2(2) . . . . ?
B7 B5 B6 B2 106.4(2) . . . . ?
B7 B5 B4 B3 -62.7(3) . . . . ?
B7 B5 B4 B1 -100.2(2) . . . . ?
B7 B5 B4 B10 0.9(3) . . . . ?
B7 B5 B4 B11 40.18(19) . . . . ?
B7 B5 B1 B3 68.1(3) . . . . ?
B7 B5 B1 B6 -33.1(2) . . . . ?
B7 B5 B1 B4 106.0(2) . . . . ?
B7 B5 B1 B2 4.3(3) . . . . ?
B7 B5 B11 B4 -139.2(2) . . . . ?
B7 B5 B11 B10 -103.5(2) . . . . ?
B7 B6 B1 B5 33.5(2) . . . . ?
B7 B6 B1 B3 -66.9(3) . . . . ?
B7 B6 B1 B4 -3.2(3) . . . . ?
B7 B6 B1 B2 -105.2(2) . . . . ?
B7 B6 B8 B9 102.4(2) . . . . ?
B7 B6 B8 B2 139.1(2) . . . . ?
B7 B6 B2 B3 63.4(2) . . . . ?
B7 B6 B2 B9 0.2(3) . . . . ?
B7 B6 B2 B1 101.3(2) . . . . ?
B7 B6 B2 B8 -40.2(2) . . . . ?
B7 B8 B2 B3 -64.1(3) . . . . ?
B7 B8 B2 B6 34.75(19) . . . . ?
B7 B8 B2 B9 -102.7(2) . . . . ?
B7 B8 B2 B1 -0.1(3) . . . . ?
B2A B3A B1A B4A -138.2(2) . . . . ?
B2A B3A B1A B5A -100.8(3) . . . . ?
B2A B3A B1A B6A -37.12(19) . . . . ?
B2A B3A B4A B1A 37.1(2) . . . . ?
B2A B3A B4A B10A -64.1(3) . . . . ?
B2A B3A B4A B5A 0.0(3) . . . . ?
B2A B3A B4A B9A -105.2(2) . . . . ?
B2A B3A B9A B4A 97.9(2) . . . . ?
B2A B3A B9A B10A 61.6(3) . . . . ?
B2A B3A B9A B8A -39.35(18) . . . . ?
B2A B3A B8A B7A 36.15(18) . . . . ?
B2A B3A B8A B9A 137.12(19) . . . . ?
B2A B1A B4A B3A -37.7(2) . . . . ?
B2A B1A B4A B10A 66.3(3) . . . . ?
B2A B1A B4A B5A 101.0(3) . . . . ?
B2A B1A B4A B9A -3.4(3) . . . . ?
B2A B1A B5A B11A 2.2(3) . . . . ?
B2A B1A B5A B4A -101.6(2) . . . . ?
B2A B1A B5A B10A -67.4(3) . . . . ?
B2A B1A B5A B6A 37.10(19) . . . . ?
B2A B1A B6A B11A -104.4(2) . . . . ?
B2A B1A B6A B7A -34.88(19) . . . . ?
B2A B1A B6A B5A -138.76(19) . . . . ?
B2A B7A B6A B1A 34.9(2) . . . . ?
B2A B7A B6A B11A 137.8(2) . . . . ?
B2A B7A B6A B5A 99.7(2) . . . . ?
B1A B3A B2A B7A 100.7(2) . . . . ?
B1A B3A B2A B6A 36.7(2) . . . . ?
B1A B3A B2A B8A 141.6(2) . . . . ?
B1A B3A B4A B10A -101.2(2) . . . . ?
B1A B3A B4A B5A -37.1(2) . . . . ?
B1A B3A B4A B9A -142.3(2) . . . . ?
B1A B3A B9A B4A 33.8(2) . . . . ?
B1A B3A B9A B10A -2.5(3) . . . . ?
B1A B3A B9A B8A -103.4(2) . . . . ?
B1A B3A B8A B2A -34.74(18) . . . . ?
B1A B3A B8A B7A 1.4(3) . . . . ?
B1A B3A B8A B9A 102.4(2) . . . . ?
B1A B2A B7A B11A 1.3(3) . . . . ?
B1A B2A B7A B6A -34.6(2) . . . . ?
B1A B2A B7A B8A 102.8(2) . . . . ?
B1A B2A B6A B11A 100.7(3) . . . . ?
B1A B2A B6A B7A 141.6(2) . . . . ?
B1A B2A B6A B5A 37.16(19) . . . . ?
B1A B2A B8A B3A 34.8(2) . . . . ?
B1A B2A B8A B7A -103.1(2) . . . . ?
B1A B2A B8A B9A -2.0(3) . . . . ?
B1A B4A B10A B11A -1.0(3) . . . . ?
B1A B4A B10A B5A 34.63(19) . . . . ?
B1A B4A B10A B9A -103.4(2) . . . . ?
B1A B4A B5A B11A -101.2(2) . . . . ?
B1A B4A B5A B10A -141.9(2) . . . . ?
B1A B4A B5A B6A -36.9(2) . . . . ?
B1A B4A B9A B3A -34.3(2) . . . . ?
B1A B4A B9A B10A 103.4(2) . . . . ?
B1A B4A B9A B8A 2.1(3) . . . . ?
B1A B5A B6A B2A -37.04(19) . . . . ?
B1A B5A B6A B11A -141.77(19) . . . . ?
B1A B5A B6A B7A -101.3(2) . . . . ?
B11A B7A B6A B2A -137.8(2) . . . . ?
B11A B7A B6A B1A -102.9(2) . . . . ?
B11A B7A B6A B5A -38.0(2) . . . . ?
B11A B10A B5A B1A 103.7(2) . . . . ?
B11A B10A B5A B4A 138.0(2) . . . . ?
B11A B10A B5A B6A 39.5(2) . . . . ?
B11A B10A B9A B3A -59.4(3) . . . . ?
B11A B10A B9A B4A -97.3(2) . . . . ?
B11A B10A B9A B8A 0.6(3) . . . . ?
B11A B5A B6A B2A 104.7(2) . . . . ?
B11A B5A B6A B1A 141.77(19) . . . . ?
B11A B5A B6A B7A 40.5(2) . . . . ?
B6 B5 B7 B8 -37.23(19) . . . . ?
B6 B5 B7 B11 -136.3(2) . . . . ?
B6 B5 B4 B3 1.0(3) . . . . ?
B6 B5 B4 B1 -36.44(18) . . . . ?
B6 B5 B4 B10 64.7(2) . . . . ?
B6 B5 B4 B11 103.9(2) . . . . ?
B6 B5 B1 B3 101.2(2) . . . . ?
B6 B5 B1 B4 139.0(2) . . . . ?
B6 B5 B1 B2 37.3(2) . . . . ?
B6 B5 B11 B7 39.4(2) . . . . ?
B6 B5 B11 B4 -99.7(2) . . . . ?
B6 B5 B11 B10 -64.0(3) . . . . ?
B6 B1 B2 B3 137.3(2) . . . . ?
B6 B1 B2 B9 103.1(2) . . . . ?
B6 B1 B2 B8 34.9(2) . . . . ?
B6 B8 B2 B3 -98.9(2) . . . . ?
B6 B8 B2 B9 -137.43(19) . . . . ?
B6 B8 B2 B1 -34.8(2) . . . . ?
B9 B3 B4 B5 63.6(3) . . . . ?
B9 B3 B4 B1 101.4(3) . . . . ?
B9 B3 B4 B10 -40.7(2) . . . . ?
B9 B3 B4 B11 0.2(3) . . . . ?
B9 B3 B1 B5 -67.4(3) . . . . ?
B9 B3 B1 B6 -3.5(3) . . . . ?
B9 B3 B1 B4 -105.0(2) . . . . ?
B9 B3 B1 B2 34.8(2) . . . . ?
B9 B3 B10 B4 138.6(2) . . . . ?
B9 B3 B10 B11 100.6(2) . . . . ?
B9 B3 B2 B6 -104.2(2) . . . . ?
B9 B3 B2 B1 -142.1(2) . . . . ?
B9 B3 B2 B8 -40.5(2) . . . . ?
B9 B10 B11 B5 62.1(2) . . . . ?
B9 B10 B11 B7 1.6(2) . . . . ?
B9 B10 B11 B4 98.61(19) . . . . ?
B9 B8 B2 B3 38.56(19) . . . . ?
B9 B8 B2 B6 137.43(19) . . . . ?
B9 B8 B2 B1 102.6(2) . . . . ?
B4 B5 B7 B6 98.2(2) . . . . ?
B4 B5 B7 B8 60.9(3) . . . . ?
B4 B5 B7 B11 -38.2(2) . . . . ?
B4 B5 B6 B7 -106.5(2) . . . . ?
B4 B5 B6 B1 36.80(19) . . . . ?
B4 B5 B6 B8 -64.3(3) . . . . ?
B4 B5 B6 B2 -0.1(2) . . . . ?
B4 B5 B1 B3 -37.85(19) . . . . ?
B4 B5 B1 B6 -139.0(2) . . . . ?
B4 B5 B1 B2 -101.7(2) . . . . ?
B4 B5 B11 B7 139.2(2) . . . . ?
B4 B5 B11 B10 35.73(17) . . . . ?
B4 B3 B9 B10 38.2(2) . . . . ?
B4 B3 B9 B8 -63.1(3) . . . . ?
B4 B3 B9 B2 -99.9(3) . . . . ?
B4 B3 B1 B5 37.6(2) . . . . ?
B4 B3 B1 B6 101.5(2) . . . . ?
B4 B3 B1 B2 139.8(2) . . . . ?
B4 B3 B10 B9 -138.6(2) . . . . ?
B4 B3 B10 B11 -38.02(19) . . . . ?
B4 B3 B2 B6 1.5(2) . . . . ?
B4 B3 B2 B9 105.7(2) . . . . ?
B4 B3 B2 B1 -36.42(18) . . . . ?
B4 B3 B2 B8 65.2(3) . . . . ?
B4 B1 B2 B3 36.4(2) . . . . ?
B4 B1 B2 B6 -100.9(2) . . . . ?
B4 B1 B2 B9 2.2(3) . . . . ?
B4 B1 B2 B8 -66.0(3) . . . . ?
B4 B10 B11 B5 -36.54(18) . . . . ?
B4 B10 B11 B7 -97.0(2) . . . . ?
B1 B5 B7 B6 33.1(2) . . . . ?
B1 B5 B7 B8 -4.2(3) . . . . ?
B1 B5 B7 B11 -103.2(3) . . . . ?
B1 B5 B6 B7 -143.3(2) . . . . ?
B1 B5 B6 B8 -101.1(2) . . . . ?
B1 B5 B6 B2 -36.90(18) . . . . ?
B1 B5 B4 B3 37.44(18) . . . . ?
B1 B5 B4 B10 101.1(2) . . . . ?
B1 B5 B4 B11 140.3(2) . . . . ?
B1 B5 B11 B7 103.1(2) . . . . ?
B1 B5 B11 B4 -36.04(19) . . . . ?
B1 B5 B11 B10 -0.3(3) . . . . ?
B1 B3 B9 B10 103.6(2) . . . . ?
B1 B3 B9 B8 2.2(3) . . . . ?
B1 B3 B9 B2 -34.5(2) . . . . ?
B1 B3 B4 B5 -37.73(19) . . . . ?
B1 B3 B4 B10 -142.1(2) . . . . ?
B1 B3 B4 B11 -101.1(2) . . . . ?
B1 B3 B10 B9 -103.9(2) . . . . ?
B1 B3 B10 B4 34.67(19) . . . . ?
B1 B3 B10 B11 -3.4(3) . . . . ?
B1 B3 B2 B6 37.90(19) . . . . ?
B1 B3 B2 B9 142.1(2) . . . . ?
B1 B3 B2 B8 101.6(2) . . . . ?
B1 B6 B8 B7 -104.3(2) . . . . ?
B1 B6 B8 B9 -1.9(3) . . . . ?
B1 B6 B8 B2 34.81(19) . . . . ?
B1 B6 B2 B3 -37.88(18) . . . . ?
B1 B6 B2 B9 -101.1(2) . . . . ?
B1 B6 B2 B8 -141.5(2) . . . . ?
B1 B4 B10 B3 -34.1(2) . . . . ?
B1 B4 B10 B9 1.2(3) . . . . ?
B1 B4 B10 B11 102.1(2) . . . . ?
B1 B4 B11 B5 35.8(2) . . . . ?
B1 B4 B11 B7 0.9(3) . . . . ?
B1 B4 B11 B10 -102.7(2) . . . . ?
B10 B3 B9 B8 -101.4(2) . . . . ?
B10 B3 B9 B2 -138.1(2) . . . . ?
B10 B3 B4 B5 104.4(2) . . . . ?
B10 B3 B4 B1 142.1(2) . . . . ?
B10 B3 B4 B11 41.0(2) . . . . ?
B10 B3 B1 B5 3.2(3) . . . . ?
B10 B3 B1 B6 67.1(3) . . . . ?
B10 B3 B1 B4 -34.42(19) . . . . ?
B10 B3 B1 B2 105.4(2) . . . . ?
B10 B3 B2 B6 -62.9(3) . . . . ?
B10 B3 B2 B9 41.3(2) . . . . ?
B10 B3 B2 B1 -100.8(2) . . . . ?
B10 B3 B2 B8 0.8(3) . . . . ?
B10 B9 B8 B7 -0.4(2) . . . . ?
B10 B9 B8 B6 -60.3(2) . . . . ?
B10 B9 B8 B2 -97.8(2) . . . . ?
B10 B9 B2 B3 -35.7(2) . . . . ?
B10 B9 B2 B6 62.7(3) . . . . ?
B10 B9 B2 B1 -1.4(3) . . . . ?
B10 B9 B2 B8 101.5(2) . . . . ?
B10 B4 B1 B5 -103.3(2) . . . . ?
B10 B4 B1 B3 34.3(2) . . . . ?
B10 B4 B1 B6 -66.3(3) . . . . ?
B10 B4 B1 B2 -2.1(3) . . . . ?
B10 B4 B11 B5 138.6(2) . . . . ?
B10 B4 B11 B7 103.6(2) . . . . ?
B8 B7 B6 B5 136.5(2) . . . . ?
B8 B7 B6 B1 102.9(2) . . . . ?
B8 B7 B6 B2 38.0(2) . . . . ?
B8 B6 B1 B5 103.7(2) . . . . ?
B8 B6 B1 B3 3.3(3) . . . . ?
B8 B6 B1 B4 67.1(3) . . . . ?
B8 B6 B1 B2 -34.95(19) . . . . ?
B8 B6 B2 B3 103.7(2) . . . . ?
B8 B6 B2 B9 40.45(19) . . . . ?
B8 B6 B2 B1 141.5(2) . . . . ?
B8 B9 B2 B3 -137.2(2) . . . . ?
B8 B9 B2 B6 -38.76(18) . . . . ?
B8 B9 B2 B1 -102.9(2) . . . . ?
B7A B2A B1A B3A -104.1(2) . . . . ?
B7A B2A B1A B4A -66.2(3) . . . . ?
B7A B2A B1A B5A -2.2(3) . . . . ?
B7A B2A B1A B6A 34.74(19) . . . . ?
B7A B2A B6A B1A -141.6(2) . . . . ?
B7A B2A B6A B11A -40.9(2) . . . . ?
B7A B2A B6A B5A -104.5(2) . . . . ?
B7A B2A B8A B3A 137.8(2) . . . . ?
B7A B2A B8A B9A 101.1(2) . . . . ?
B7A B11A B10A B4A -61.5(3) . . . . ?
B7A B11A B10A B5A -98.8(2) . . . . ?
B7A B11A B10A B9A -1.0(3) . . . . ?
B7A B11A B5A B1A -1.4(3) . . . . ?
B7A B11A B5A B4A 62.8(3) . . . . ?
B7A B11A B5A B10A 101.0(2) . . . . ?
B7A B11A B5A B6A -36.11(18) . . . . ?
B7A B11A B6A B2A 38.8(2) . . . . ?
B7A B11A B6A B1A 103.4(2) . . . . ?
B7A B11A B6A B5A 138.1(2) . . . . ?
B4A B3A B2A B1A -36.9(2) . . . . ?
B4A B3A B2A B7A 63.8(3) . . . . ?
B4A B3A B2A B6A -0.2(3) . . . . ?
B4A B3A B2A B8A 104.7(2) . . . . ?
B4A B3A B1A B2A 138.2(2) . . . . ?
B4A B3A B1A B5A 37.4(2) . . . . ?
B4A B3A B1A B6A 101.1(2) . . . . ?
B4A B3A B9A B10A -36.3(2) . . . . ?
B4A B3A B9A B8A -137.2(2) . . . . ?
B4A B3A B8A B2A -98.5(2) . . . . ?
B4A B3A B8A B7A -62.3(2) . . . . ?
B4A B3A B8A B9A 38.66(18) . . . . ?
B4A B1A B5A B11A 103.8(2) . . . . ?
B4A B1A B5A B10A 34.2(2) . . . . ?
B4A B1A B5A B6A 138.7(2) . . . . ?
B4A B1A B6A B2A 101.5(2) . . . . ?
B4A B1A B6A B11A -2.9(3) . . . . ?
B4A B1A B6A B7A 66.6(3) . . . . ?
B4A B1A B6A B5A -37.24(19) . . . . ?
B4A B10A B5A B1A -34.3(2) . . . . ?
B4A B10A B5A B11A -138.0(2) . . . . ?
B4A B10A B5A B6A -98.5(2) . . . . ?
B4A B10A B9A B3A 37.9(2) . . . . ?
B4A B10A B9A B8A 97.8(2) . . . . ?
B4A B5A B6A B2A -0.3(3) . . . . ?
B4A B5A B6A B1A 36.8(2) . . . . ?
B4A B5A B6A B11A -105.0(2) . . . . ?
B4A B5A B6A B7A -64.5(3) . . . . ?
B10A B11A B7A B2A 61.1(3) . . . . ?
B10A B11A B7A B6A 98.3(3) . . . . ?
B10A B11A B7A B8A 1.0(3) . . . . ?
B10A B11A B5A B1A -102.4(2) . . . . ?
B10A B11A B5A B4A -38.23(18) . . . . ?
B10A B11A B5A B6A -137.1(2) . . . . ?
B10A B11A B6A B2A -62.4(3) . . . . ?
B10A B11A B6A B1A 2.2(3) . . . . ?
B10A B11A B6A B7A -101.2(2) . . . . ?
B10A B11A B6A B5A 36.96(18) . . . . ?
B10A B4A B5A B1A 141.9(2) . . . . ?
B10A B4A B5A B11A 40.7(2) . . . . ?
B10A B4A B5A B6A 105.0(2) . . . . ?
B10A B4A B9A B3A -137.6(2) . . . . ?
B10A B4A B9A B8A -101.3(2) . . . . ?
B10A B5A B6A B2A 63.1(3) . . . . ?
B10A B5A B6A B1A 100.2(2) . . . . ?
B10A B5A B6A B11A -41.6(2) . . . . ?
B10A B5A B6A B7A -1.1(3) . . . . ?
B5A B1A B4A B3A -138.6(2) . . . . ?
B5A B1A B4A B10A -34.6(2) . . . . ?
B5A B1A B4A B9A -104.4(3) . . . . ?
B5A B1A B6A B2A 138.76(19) . . . . ?
B5A B1A B6A B11A 34.38(18) . . . . ?
B5A B1A B6A B7A 103.9(2) . . . . ?
B5A B11A B7A B2A 0.1(3) . . . . ?
B5A B11A B7A B6A 37.3(2) . . . . ?
B5A B11A B7A B8A -60.0(3) . . . . ?
B5A B11A B10A B4A 37.31(19) . . . . ?
B5A B11A B10A B9A 97.8(2) . . . . ?
B5A B11A B6A B2A -99.3(3) . . . . ?
B5A B11A B6A B1A -34.77(18) . . . . ?
B5A B11A B6A B7A -138.1(2) . . . . ?
B5A B4A B10A B11A -35.63(19) . . . . ?
B5A B4A B10A B9A -138.0(2) . . . . ?
B5A B4A B9A B3A -99.0(2) . . . . ?
B5A B4A B9A B10A 38.64(19) . . . . ?
B5A B4A B9A B8A -62.6(2) . . . . ?
B5A B10A B9A B3A 0.5(3) . . . . ?
B5A B10A B9A B4A -37.4(2) . . . . ?
B5A B10A B9A B8A 60.4(3) . . . . ?
B6A B2A B1A B3A -138.8(2) . . . . ?
B6A B2A B1A B4A -101.0(2) . . . . ?
B6A B2A B1A B5A -36.91(18) . . . . ?
B6A B2A B7A B11A 35.93(19) . . . . ?
B6A B2A B7A B8A 137.5(2) . . . . ?
B6A B2A B8A B3A 98.9(2) . . . . ?
B6A B2A B8A B7A -39.0(2) . . . . ?
B6A B2A B8A B9A 62.1(3) . . . . ?
B6A B1A B4A B3A -101.6(2) . . . . ?
B6A B1A B4A B10A 2.4(3) . . . . ?
B6A B1A B4A B5A 37.0(2) . . . . ?
B6A B1A B4A B9A -67.4(3) . . . . ?
B6A B1A B5A B11A -34.87(19) . . . . ?
B6A B1A B5A B4A -138.7(2) . . . . ?
B6A B1A B5A B10A -104.5(2) . . . . ?
B6A B11A B7A B2A -37.2(2) . . . . ?
B6A B11A B7A B8A -97.3(3) . . . . ?
B6A B11A B10A B4A -0.7(3) . . . . ?
B6A B11A B10A B5A -38.04(19) . . . . ?
B6A B11A B10A B9A 59.7(3) . . . . ?
B6A B11A B5A B1A 34.71(19) . . . . ?
B6A B11A B5A B4A 98.9(2) . . . . ?
B6A B11A B5A B10A 137.1(2) . . . . ?
B9A B3A B2A B1A -100.0(2) . . . . ?
B9A B3A B2A B7A 0.8(3) . . . . ?
B9A B3A B2A B6A -63.2(3) . . . . ?
B9A B3A B2A B8A 41.6(2) . . . . ?
B9A B3A B1A B2A 104.5(3) . . . . ?
B9A B3A B1A B4A -33.7(2) . . . . ?
B9A B3A B1A B5A 3.7(3) . . . . ?
B9A B3A B1A B6A 67.3(3) . . . . ?
B9A B3A B4A B1A 142.3(2) . . . . ?
B9A B3A B4A B10A 41.1(2) . . . . ?
B9A B3A B4A B5A 105.2(3) . . . . ?
B9A B3A B8A B2A -137.12(19) . . . . ?
B9A B3A B8A B7A -101.0(2) . . . . ?
B9A B4A B10A B11A 102.4(2) . . . . ?
B9A B4A B10A B5A 138.0(2) . . . . ?
B9A B4A B5A B1A 101.1(2) . . . . ?
B9A B4A B5A B11A -0.1(3) . . . . ?
B9A B4A B5A B10A -40.8(2) . . . . ?
B9A B4A B5A B6A 64.2(3) . . . . ?
B9A B10A B5A B1A 1.8(3) . . . . ?
B9A B10A B5A B11A -101.9(2) . . . . ?
B9A B10A B5A B4A 36.1(2) . . . . ?
B9A B10A B5A B6A -62.5(3) . . . . ?
B8A B3A B2A B1A -141.6(2) . . . . ?
B8A B3A B2A B7A -40.9(2) . . . . ?
B8A B3A B2A B6A -104.9(2) . . . . ?
B8A B3A B1A B2A 34.86(19) . . . . ?
B8A B3A B1A B4A -103.3(2) . . . . ?
B8A B3A B1A B5A -65.9(3) . . . . ?
B8A B3A B1A B6A -2.3(3) . . . . ?
B8A B3A B4A B1A 101.0(2) . . . . ?
B8A B3A B4A B10A -0.2(3) . . . . ?
B8A B3A B4A B5A 63.9(3) . . . . ?
B8A B3A B4A B9A -41.3(2) . . . . ?
B8A B3A B9A B4A 137.2(2) . . . . ?
B8A B3A B9A B10A 100.9(2) . . . . ?
B8A B2A B1A B3A -34.5(2) . . . . ?
B8A B2A B1A B4A 3.4(3) . . . . ?
B8A B2A B1A B5A 67.4(3) . . . . ?
B8A B2A B1A B6A 104.3(2) . . . . ?
B8A B2A B7A B11A -101.6(2) . . . . ?
B8A B2A B7A B6A -137.5(2) . . . . ?
B8A B2A B6A B1A -100.4(2) . . . . ?
B8A B2A B6A B11A 0.3(4) . . . . ?
B8A B2A B6A B7A 41.3(2) . . . . ?
B8A B2A B6A B5A -63.2(3) . . . . ?
B8A B7A B6A B2A -36.19(18) . . . . ?
B8A B7A B6A B1A -1.3(3) . . . . ?
B8A B7A B6A B11A 101.6(2) . . . . ?
B8A B7A B6A B5A 63.6(3) . . . . ?
B11 B5 B7 B6 136.3(2) . . . . ?
B11 B5 B7 B8 99.1(2) . . . . ?
B11 B5 B6 B7 -42.1(2) . . . . ?
B11 B5 B6 B1 101.2(3) . . . . ?
B11 B5 B6 B8 0.1(3) . . . . ?
B11 B5 B6 B2 64.3(3) . . . . ?
B11 B5 B4 B3 -102.9(2) . . . . ?
B11 B5 B4 B1 -140.3(2) . . . . ?
B11 B5 B4 B10 -39.2(2) . . . . ?
B11 B5 B1 B3 -1.7(3) . . . . ?
B11 B5 B1 B6 -102.9(2) . . . . ?
B11 B5 B1 B4 36.11(19) . . . . ?
B11 B5 B1 B2 -65.6(3) . . . . ?
B11 B7 B6 B5 37.2(2) . . . . ?
B11 B7 B6 B1 3.6(3) . . . . ?
B11 B7 B6 B8 -99.3(2) . . . . ?
B11 B7 B6 B2 -61.3(3) . . . . ?
B11 B4 B1 B5 -35.7(2) . . . . ?
B11 B4 B1 B3 101.9(2) . . . . ?
B11 B4 B1 B6 1.3(3) . . . . ?
B11 B4 B1 B2 65.4(3) . . . . ?
B11 B4 B10 B3 -136.3(2) . . . . ?
B11 B4 B10 B9 -100.9(2) . . . . ?
B2 B3 B9 B10 138.1(2) . . . . ?
B2 B3 B9 B8 36.76(19) . . . . ?
B2 B3 B4 B5 -1.5(3) . . . . ?
B2 B3 B4 B1 36.19(18) . . . . ?
B2 B3 B4 B10 -105.9(2) . . . . ?
B2 B3 B4 B11 -65.0(3) . . . . ?
B2 B3 B1 B5 -102.2(2) . . . . ?
B2 B3 B1 B6 -38.30(19) . . . . ?
B2 B3 B1 B4 -139.8(2) . . . . ?
B2 B3 B10 B9 -39.1(2) . . . . ?
B2 B3 B10 B4 99.5(3) . . . . ?
B2 B3 B10 B11 61.4(3) . . . . ?
B2 B6 B1 B5 138.69(19) . . . . ?
B2 B6 B1 B3 38.29(18) . . . . ?
B2 B6 B1 B4 102.0(2) . . . . ?
B2 B6 B8 B7 -139.1(2) . . . . ?
B2 B6 B8 B9 -36.74(18) . . . . ?
B2 B9 B8 B7 97.4(2) . . . . ?
B2 B9 B8 B6 37.49(19) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.365
_oxdiff_exptl_absorpt_empirical_full_min 0.312

