# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1845848'
loop_
_audit_author_name
_audit_author_address
BaBOF
;Xinjiang Technical Institute of Physics Chemistry
China
;
_audit_update_record             
;
2019-03-27 deposited with the CCDC.	2019-04-25 downloaded from the CCDC.
;
_audit_creation_date             2019-03-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'B5 Ba F H0.33 O8.17'
_chemical_formula_sum            'B5 H0.33 Ba F O8.17'
_chemical_formula_weight         341.39
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ba Ba -0.3244 2.2819 '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'

_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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   11.399(3)
_cell_length_b                   9.429(3)
_cell_length_c                   13.467(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1447.4(7)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    2217
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.53
_cell_measurement_theta_min      3.19
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.527
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6232
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0936 before and 0.0496 after correction.
The Ratio of minimum to maximum transmission is 0.8358.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   face-indexed
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.133
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1245
_exptl_crystal_size_max          0.159
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.08
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0404
_diffrn_reflns_av_unetI/netI     0.0312
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8352
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.583
_diffrn_reflns_theta_min         3.025
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1378
_reflns_number_total             1673
_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       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         0.761
_refine_diff_density_min         -0.677
_refine_diff_density_rms         0.158
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     151
_refine_ls_number_reflns         1673
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0329
_refine_ls_R_factor_gt           0.0244
_refine_ls_restrained_S_all      1.058
_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)+(0.0188P)²+3.8222P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0511
_refine_ls_wR_factor_ref         0.0551
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 O9-H9B = O9-H9A
 0.85 with sigma of 0.02
 H9B-H9A
 1.35 with sigma of 0.02
3. Others
 Fixed Sof: O9(0.16667) H9B(0.16667) H9A(0.16667)
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     ?
_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
Ba1 Ba 0.43733(2) 0.16224(3) 0.37787(2) 0.01057(8) Uani 1 1 d . . . . .
B1 B 0.5303(4) -0.1829(5) 0.3664(3) 0.0082(9) Uani 1 1 d . . . . .
B2 B 0.3370(4) -0.1507(5) 0.4641(3) 0.0083(9) Uani 1 1 d . . . . .
B3 B 0.1503(4) 0.1844(5) 0.3241(3) 0.0105(9) Uani 1 1 d . . . . .
B4 B 0.7546(4) 0.2863(5) 0.3948(3) 0.0098(9) Uani 1 1 d . . . . .
B5 B 0.6840(4) -0.0351(5) 0.2822(3) 0.0087(9) Uani 1 1 d . . . . .
O1 O 0.5696(2) -0.0735(3) 0.2932(2) 0.0115(6) Uani 1 1 d . . . . .
O2 O 0.4564(2) -0.1136(3) 0.43844(19) 0.0095(6) Uani 1 1 d . . . . .
O3 O 0.2169(2) 0.2603(3) 0.38917(19) 0.0109(6) Uani 1 1 d . . . . .
O4 O 0.6615(2) 0.2217(3) 0.43891(19) 0.0106(6) Uani 1 1 d . . . . .
O5 O 0.7151(2) 0.0850(3) 0.22925(19) 0.0107(6) Uani 1 1 d . . . . .
O6 O 0.8674(2) 0.2555(3) 0.4177(2) 0.0102(6) Uani 1 1 d . . . . .
O7 O 0.7274(2) 0.3875(3) 0.3226(2) 0.0114(6) Uani 1 1 d . . . . .
O8 O 0.0340(2) 0.2054(3) 0.3105(2) 0.0100(6) Uani 1 1 d . . . . .
F1 F 0.2723(2) -0.0222(3) 0.47149(17) 0.0144(5) Uani 1 1 d . . . . .
O9 O 0.4840(19) 0.453(2) 0.4472(17) 0.031(5) Uani 0.1667 1 d D . P . .
H9B H 0.543(18) 0.41(2) 0.47(2) 0.047 Uiso 0.1667 1 d DR . P . .
H9A H 0.48(3) 0.532(19) 0.48(2) 0.047 Uiso 0.1667 1 d DR . P . .


_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
Ba1 O1 2.918(3) . ?
Ba1 O2 2.792(3) 5_656 ?
Ba1 O2 2.735(3) . ?
Ba1 O3 2.682(3) . ?
Ba1 O4 2.743(3) . ?
Ba1 O5 3.005(3) 6_556 ?
Ba1 O6 2.969(3) 4_456 ?
Ba1 O8 2.796(3) 6_656 ?
Ba1 F1 2.855(2) . ?
Ba1 O9 2.95(2) . ?
B1 O1 1.496(5) . ?
B1 O2 1.442(5) . ?
B1 O6 1.475(5) 8_755 ?
B1 O8 1.487(5) 8_655 ?
B2 O2 1.447(5) . ?
B2 O3 1.450(5) 8_655 ?
B2 O4 1.468(5) 5_656 ?
B2 F1 1.421(5) . ?
B3 O3 1.362(5) . ?
B3 O5 1.393(5) 6_556 ?
B3 O8 1.354(5) . ?
B4 O4 1.360(5) . ?
B4 O6 1.354(5) . ?
B4 O7 1.398(5) . ?
B5 O1 1.361(5) . ?
B5 O5 1.384(5) . ?
B5 O7 1.360(5) 8_755 ?
O9 O9 1.71(4) 5_666 ?
O9 H9B 0.85(2) . ?
O9 H9A 0.85(2) . ?

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
B1 Ba1 H9B 59(6) 5_656 . ?
B2 Ba1 B1 44.57(10) 5_656 5_656 ?
B2 Ba1 H9B 55.4(13) 5_656 . ?
O1 Ba1 B1 112.08(9) . 5_656 ?
O1 Ba1 B2 79.99(9) . 5_656 ?
O1 Ba1 O5 93.64(8) . 6_556 ?
O1 Ba1 O6 134.44(7) . 4_456 ?
O1 Ba1 O9 137.7(4) . . ?
O1 Ba1 H9B 125(4) . . ?
O2 Ba1 B1 75.45(9) . 5_656 ?
O2 Ba1 B1 23.60(9) 5_656 5_656 ?
O2 Ba1 B2 25.34(9) 5_656 5_656 ?
O2 Ba1 B2 73.60(10) . 5_656 ?
O2 Ba1 O1 89.83(8) 5_656 . ?
O2 Ba1 O1 49.54(8) . . ?
O2 Ba1 O2 62.94(9) . 5_656 ?
O2 Ba1 O4 91.78(8) . . ?
O2 Ba1 O5 88.84(8) . 6_556 ?
O2 Ba1 O5 138.70(8) 5_656 6_556 ?
O2 Ba1 O6 89.62(8) . 4_456 ?
O2 Ba1 O6 48.55(8) 5_656 4_456 ?
O2 Ba1 O8 112.20(8) . 6_656 ?
O2 Ba1 O8 131.07(8) 5_656 6_656 ?
O2 Ba1 F1 78.14(7) 5_656 . ?
O2 Ba1 F1 48.80(7) . . ?
O2 Ba1 O9 78.1(4) 5_656 . ?
O2 Ba1 O9 141.0(4) . . ?
O2 Ba1 H9B 64(4) 5_656 . ?
O2 Ba1 H9B 127(3) . . ?
O3 Ba1 B1 91.37(9) . 5_656 ?
O3 Ba1 B2 134.16(9) . 5_656 ?
O3 Ba1 O1 140.26(8) . . ?
O3 Ba1 O2 114.38(8) . 5_656 ?
O3 Ba1 O2 112.67(8) . . ?
O3 Ba1 O4 141.78(9) . . ?
O3 Ba1 O5 47.22(8) . 6_556 ?
O3 Ba1 O6 66.78(7) . 4_456 ?
O3 Ba1 O8 111.75(8) . 6_656 ?
O3 Ba1 F1 64.39(8) . . ?
O3 Ba1 O9 80.2(4) . . ?
O3 Ba1 H9B 95(3) . . ?
O4 Ba1 B1 65.92(9) . 5_656 ?
O4 Ba1 B2 25.59(9) . 5_656 ?
O4 Ba1 O1 77.96(8) . . ?
O4 Ba1 O2 50.49(8) . 5_656 ?
O4 Ba1 O5 168.26(7) . 6_556 ?
O4 Ba1 O6 85.35(8) . 4_456 ?
O4 Ba1 O8 82.82(8) . 6_656 ?
O4 Ba1 F1 127.31(7) . . ?
O4 Ba1 O9 63.0(4) . . ?
O4 Ba1 H9B 47(2) . . ?
O5 Ba1 B1 125.44(9) 6_556 5_656 ?
O5 Ba1 B2 161.30(9) 6_556 5_656 ?
O5 Ba1 H9B 138.6(10) 6_556 . ?
O6 Ba1 B1 24.97(9) 4_456 5_656 ?
O6 Ba1 B2 67.96(9) 4_456 5_656 ?
O6 Ba1 O5 106.38(7) 4_456 6_556 ?
O6 Ba1 H9B 60(6) 4_456 . ?
O8 Ba1 B1 148.30(9) 6_656 5_656 ?
O8 Ba1 B2 106.22(9) 6_656 5_656 ?
O8 Ba1 O1 63.42(8) 6_656 . ?
O8 Ba1 O5 86.09(8) 6_656 6_556 ?
O8 Ba1 O6 155.39(8) 6_656 4_456 ?
O8 Ba1 F1 138.51(7) 6_656 . ?
O8 Ba1 O9 94.6(5) 6_656 . ?
O8 Ba1 H9B 97(6) 6_656 . ?
F1 Ba1 B1 70.48(9) . 5_656 ?
F1 Ba1 B2 101.90(9) . 5_656 ?
F1 Ba1 O1 92.81(7) . . ?
F1 Ba1 O5 60.59(7) . 6_556 ?
F1 Ba1 O6 64.71(7) . 4_456 ?
F1 Ba1 O9 123.1(4) . . ?
F1 Ba1 H9B 125(6) . . ?
O9 Ba1 B1 67.3(4) . 5_656 ?
O9 Ba1 B2 71.9(4) . 5_656 ?
O9 Ba1 O5 122.0(4) . 6_556 ?
O9 Ba1 O6 60.8(5) . 4_456 ?
O9 Ba1 H9B 16.7(7) . . ?
O1 B1 Ba1 125.7(2) . 5_656 ?
O2 B1 Ba1 50.83(17) . 5_656 ?
O2 B1 O1 107.8(3) . . ?
O2 B1 O6 109.0(3) . 8_755 ?
O2 B1 O8 111.9(3) . 8_655 ?
O6 B1 Ba1 58.18(18) 8_755 5_656 ?
O6 B1 O1 110.1(3) 8_755 . ?
O6 B1 O8 110.4(3) 8_755 8_655 ?
O8 B1 Ba1 126.4(2) 8_655 5_656 ?
O8 B1 O1 107.6(3) 8_655 . ?
O2 B2 Ba1 55.65(18) . 5_656 ?
O2 B2 O3 111.9(3) . 8_655 ?
O2 B2 O4 108.2(3) . 5_656 ?
O3 B2 Ba1 138.7(3) 8_655 5_656 ?
O3 B2 O4 111.1(3) 8_655 5_656 ?
O4 B2 Ba1 53.81(18) 5_656 5_656 ?
F1 B2 Ba1 112.5(2) . 5_656 ?
F1 B2 O2 107.4(3) . . ?
F1 B2 O3 108.8(3) . 8_655 ?
F1 B2 O4 109.4(3) . 5_656 ?
O3 B3 O5 113.0(4) . 6_556 ?
O8 B3 O3 123.7(4) . . ?
O8 B3 O5 123.3(4) . 6_556 ?
O4 B4 O7 115.9(4) . . ?
O6 B4 O4 123.0(4) . . ?
O6 B4 O7 121.0(4) . . ?
O1 B5 O5 121.3(4) . . ?
O7 B5 O1 121.7(4) 8_755 . ?
O7 B5 O5 117.0(4) 8_755 . ?
B1 O1 Ba1 96.5(2) . . ?
B5 O1 Ba1 109.6(2) . . ?
B5 O1 B1 122.8(3) . . ?
Ba1 O2 Ba1 117.06(9) . 5_656 ?
B1 O2 Ba1 105.6(2) . 5_656 ?
B1 O2 Ba1 106.1(2) . . ?
B1 O2 B2 126.9(3) . . ?
B2 O2 Ba1 103.1(2) . . ?
B2 O2 Ba1 99.0(2) . 5_656 ?
B2 O3 Ba1 129.5(2) 8_665 . ?
B3 O3 Ba1 107.7(2) . . ?
B3 O3 B2 121.1(3) . 8_665 ?
B2 O4 Ba1 100.6(2) 5_656 . ?
B4 O4 Ba1 133.4(2) . . ?
B4 O4 B2 125.7(3) . 5_656 ?
B3 O5 Ba1 92.1(2) 6_656 6_656 ?
B5 O5 Ba1 131.4(2) . 6_656 ?
B5 O5 B3 132.8(3) . 6_656 ?
B1 O6 Ba1 96.9(2) 8_765 4_556 ?
B4 O6 Ba1 114.2(2) . 4_556 ?
B4 O6 B1 124.0(3) . 8_765 ?
B5 O7 B4 118.7(3) 8_765 . ?
B1 O8 Ba1 111.6(2) 8_665 6_556 ?
B3 O8 Ba1 119.2(2) . 6_556 ?
B3 O8 B1 121.2(3) . 8_665 ?
B2 F1 Ba1 98.4(2) . . ?
Ba1 O9 H9B 80(10) . . ?
Ba1 O9 H9A 163(10) . . ?
O9 O9 Ba1 141.3(18) 5_666 . ?
O9 O9 H9B 76(10) 5_666 . ?
O9 O9 H9A 32(10) 5_666 . ?
H9B O9 H9A 105(3) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O9 H9A O9 0.85(2) 1.1(2) 1.71(4) 123(28) 5_666 yes

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
Ba1 B1 O1 Ba1 -56.8(3) 5_656 . . . ?
Ba1 B1 O1 B5 61.6(5) 5_656 . . . ?
Ba1 B1 O2 Ba1 124.87(18) 5_656 . . . ?
Ba1 B1 O2 B2 -114.4(4) 5_656 . . . ?
Ba1 B2 O2 Ba1 -120.65(15) 5_656 . . . ?
Ba1 B2 O2 B1 117.4(4) 5_656 . . . ?
Ba1 B2 F1 Ba1 73.32(18) 5_656 . . . ?
O1 B1 O2 Ba1 -121.9(2) . . . 5_656 ?
O1 B1 O2 Ba1 2.9(3) . . . . ?
O1 B1 O2 B2 123.7(4) . . . . ?
O1 B5 O5 Ba1 -155.0(3) . . . 6_656 ?
O1 B5 O5 B3 -2.8(7) . . . 6_656 ?
O2 B1 O1 Ba1 -2.7(3) . . . . ?
O2 B1 O1 B5 115.7(4) . . . . ?
O2 B2 F1 Ba1 14.0(3) . . . . ?
O3 B2 O2 Ba1 -134.9(3) 8_655 . . 5_656 ?
O3 B2 O2 Ba1 104.4(3) 8_655 . . . ?
O3 B2 O2 B1 -17.6(5) 8_655 . . . ?
O3 B2 F1 Ba1 -107.2(3) 8_655 . . . ?
O3 B3 O8 Ba1 147.0(3) . . . 6_556 ?
O3 B3 O8 B1 0.8(6) . . . 8_665 ?
O4 B2 O2 Ba1 -132.9(3) 5_656 . . . ?
O4 B2 O2 Ba1 -12.2(3) 5_656 . . 5_656 ?
O4 B2 O2 B1 105.1(4) 5_656 . . . ?
O4 B2 F1 Ba1 131.2(3) 5_656 . . . ?
O4 B4 O6 Ba1 -66.7(5) . . . 4_556 ?
O4 B4 O6 B1 175.8(4) . . . 8_765 ?
O4 B4 O7 B5 174.1(4) . . . 8_765 ?
O5 B3 O3 Ba1 -1.8(4) 6_556 . . . ?
O5 B3 O3 B2 -168.3(3) 6_556 . . 8_665 ?
O5 B3 O8 Ba1 -31.2(5) 6_556 . . 6_556 ?
O5 B3 O8 B1 -177.4(4) 6_556 . . 8_665 ?
O5 B5 O1 Ba1 -54.9(4) . . . . ?
O5 B5 O1 B1 -166.8(3) . . . . ?
O6 B1 O1 Ba1 -121.4(3) 8_755 . . . ?
O6 B1 O1 B5 -3.1(5) 8_755 . . . ?
O6 B1 O2 Ba1 122.4(3) 8_755 . . . ?
O6 B1 O2 Ba1 -2.4(3) 8_755 . . 5_656 ?
O6 B1 O2 B2 -116.8(4) 8_755 . . . ?
O6 B4 O4 Ba1 -151.4(3) . . . . ?
O6 B4 O4 B2 22.2(6) . . . 5_656 ?
O6 B4 O7 B5 -6.3(6) . . . 8_765 ?
O7 B4 O4 Ba1 28.1(6) . . . . ?
O7 B4 O4 B2 -158.3(4) . . . 5_656 ?
O7 B4 O6 Ba1 113.8(3) . . . 4_556 ?
O7 B4 O6 B1 -3.7(6) . . . 8_765 ?
O7 B5 O1 Ba1 125.1(3) 8_755 . . . ?
O7 B5 O1 B1 13.2(6) 8_755 . . . ?
O7 B5 O5 Ba1 25.1(5) 8_755 . . 6_656 ?
O7 B5 O5 B3 177.3(4) 8_755 . . 6_656 ?
O8 B1 O1 Ba1 118.2(3) 8_655 . . . ?
O8 B1 O1 B5 -123.4(4) 8_655 . . . ?
O8 B1 O2 Ba1 119.9(3) 8_655 . . 5_656 ?
O8 B1 O2 Ba1 -115.2(3) 8_655 . . . ?
O8 B1 O2 B2 5.5(5) 8_655 . . . ?
O8 B3 O3 Ba1 179.8(3) . . . . ?
O8 B3 O3 B2 13.3(6) . . . 8_665 ?
F1 B2 O2 Ba1 105.8(3) . . . 5_656 ?
F1 B2 O2 Ba1 -14.9(3) . . . . ?
F1 B2 O2 B1 -136.9(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
