# Supplementary Information (SI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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 2159124'
loop_
_audit_author_name
_audit_author_address
'Kaitong Liu'
;Xinjiang Technical Institute of Physics and Chemistry
China
;
_audit_update_record             
;
2025-01-12 deposited with the CCDC.	2025-01-20 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'B11 H7 O22 Pb2'
_chemical_formula_weight         892.35

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'
H H 0.0000 0.0000 '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'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   6.6484(2)
_cell_length_b                   20.8682(7)
_cell_length_c                   6.7336(2)
_cell_angle_alpha                90
_cell_angle_beta                 119.0742(11)
_cell_angle_gamma                90
_cell_volume                     816.50(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    301(2)
_cell_measurement_reflns_used    5102
_cell_measurement_theta_min      3.51
_cell_measurement_theta_max      27.45

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    3.630
_exptl_crystal_F_000             804
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_exptl_absorpt_coefficient_mu    20.721
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.0557
_exptl_absorpt_correction_T_max  0.0949
_exptl_absorpt_process_details   face-index
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      301(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            7404
_diffrn_reflns_av_unetI/netI     0.0559
_diffrn_reflns_av_R_equivalents  0.0366
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_theta_min         1.952
_diffrn_reflns_theta_max         27.487
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             3407
_reflns_number_gt                3162
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.948
_reflns_Friedel_fraction_max     0.997
_reflns_Friedel_fraction_full    0.999

_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. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
; 
 Refined as a 2-component inversion twin. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     'w=1/[σ²(Fo²)] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_extinction_coef       0.00030(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
; 
 Refined as an inversion twin. 
;
_refine_ls_abs_structure_Flack   0.015(15)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         3407
_refine_ls_number_parameters     318
_refine_ls_number_restraints     19
_refine_ls_R_factor_all          0.0320
_refine_ls_R_factor_gt           0.0273
_refine_ls_wR_factor_ref         0.0498
_refine_ls_wR_factor_gt          0.0478
_refine_ls_goodness_of_fit_ref   0.968
_refine_ls_restrained_S_all      0.966
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Pb2 Pb 0.49031(8) 0.17813(3) -0.07696(8) 0.01754(12) Uani 1 1 d . . . . .
Pb1 Pb 0.17517(9) 0.55930(2) 0.37228(8) 0.01945(13) Uani 1 1 d . . . . .
B3 B 0.496(2) 0.5295(10) 0.050(2) 0.017(3) Uani 1 1 d . . . . .
B8 B 0.384(2) 0.1920(7) 0.340(2) 0.017(3) Uani 1 1 d . . . . .
B9 B 0.069(2) 0.1986(7) 0.425(2) 0.010(3) Uani 1 1 d . . . . .
B10 B -0.006(2) 0.2155(7) 0.029(2) 0.011(3) Uani 1 1 d . U . . .
B2 B 0.0678(19) 0.5527(7) -0.2175(19) 0.011(3) Uani 1 1 d . . . . .
B11 B -0.103(3) 0.3151(8) -0.188(2) 0.019(3) Uani 1 1 d . . . . .
B5 B 0.678(2) 0.5269(7) 0.467(2) 0.014(3) Uani 1 1 d . U . . .
B4 B 0.583(3) 0.4274(8) 0.241(2) 0.018(3) Uani 1 1 d . . . . .
O11 O 0.5173(12) 0.5560(5) 0.2585(11) 0.0138(17) Uani 1 1 d . . . . .
O17 O 0.6081(13) 0.1881(5) 0.4049(12) 0.015(2) Uani 1 1 d . . . . .
O10 O 0.7051(14) 0.5504(5) 0.0374(13) 0.017(2) Uani 1 1 d . . . . .
O6 O 0.4772(15) 0.4604(5) 0.0431(14) 0.018(2) Uani 1 1 d . . . . .
O8 O 0.2962(13) 0.5587(6) -0.1494(12) 0.0165(17) Uani 1 1 d . . . . .
O16 O 0.2259(13) 0.1882(5) 0.1151(12) 0.017(2) Uani 1 1 d . . . . .
O14 O 0.3035(13) 0.1984(4) 0.4954(12) 0.016(2) Uani 1 1 d . . . . .
O15 O -0.0843(13) 0.2021(4) 0.1998(13) 0.016(2) Uani 1 1 d . . . . .
O18 O 0.0070(17) 0.2857(5) 0.0126(15) 0.022(2) Uani 1 1 d . . . . .
O7 O -0.0859(13) 0.5526(5) -0.4430(12) 0.0157(19) Uani 1 1 d . . . . .
O19 O -0.1678(12) 0.1859(5) -0.1824(11) 0.0081(16) Uani 1 1 d . U . . .
O13 O 0.0165(13) 0.1949(4) 0.5966(12) 0.017(2) Uani 1 1 d . . . . .
O20 O -0.2079(17) 0.2857(5) -0.3909(16) 0.018(2) Uani 1 1 d . . . . .
O21 O -0.099(2) 0.3824(5) -0.1758(16) 0.035(3) Uani 1 1 d . . . . .
H21 H -0.156548 0.407669 -0.308937 0.052 Uiso 1 1 d R U . . .
O5 O 0.6871(14) 0.4575(4) 0.4459(14) 0.0178(19) Uani 1 1 d . . . . .
O4 O 0.5799(18) 0.3624(5) 0.2275(15) 0.032(2) Uani 1 1 d . . . . .
H4 H 0.588693 0.330817 0.331764 0.049 Uiso 1 1 d R U . . .
O12 O 0.6035(13) 0.5414(4) 0.6407(12) 0.015(2) Uani 1 1 d . . . . .
O2 O 0.087(2) 0.4415(6) 0.2210(17) 0.039(3) Uani 1 1 d . . . . .
H2 H 0.018159 0.421379 0.076370 0.059 Uiso 1 1 d R U . . .
B1 B 0.177(3) 0.4061(9) 0.415(3) 0.027(4) Uani 1 1 d . . . . .
O3 O 0.2499(19) 0.4455(5) 0.5961(15) 0.036(3) Uani 1 1 d . . . . .
H3 H 0.317592 0.449680 0.758058 0.054 Uiso 1 1 d R U . . .
O1 O 0.1855(19) 0.3421(5) 0.4294(16) 0.038(3) Uani 1 1 d . . . . .
H1 H 0.186077 0.308677 0.334776 0.057 Uiso 1 1 d R U . . .
B6 B 0.751(2) 0.5460(7) 0.864(2) 0.015(3) Uani 1 1 d . . . . .
O9 O -0.0118(12) 0.5475(5) -0.0639(12) 0.016(2) Uani 1 1 d . . . . .
B7 B 0.808(2) 0.2137(9) 0.605(2) 0.015(3) Uani 1 1 d . . . . .
O22 O 0.4668(19) 0.2922(5) -0.1391(16) 0.040(3) Uani 1 1 d . . . . .
H22A H 0.465473 0.309861 -0.026143 0.060 Uiso 1 1 d R U . . .
H22B H 0.361893 0.309821 -0.255933 0.060 Uiso 1 1 d R 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
Pb2 O22 2.409(11) . ?
Pb2 O14 2.556(7) 1_554 ?
Pb2 O15 2.569(8) 1_655 ?
Pb2 O16 2.649(7) . ?
Pb2 O19 2.695(7) 1_655 ?
Pb1 O12 2.552(8) . ?
Pb1 O7 2.584(7) 1_556 ?
Pb1 O9 2.585(7) . ?
Pb1 O2 2.617(12) . ?
Pb1 O3 2.725(11) . ?
Pb1 O11 2.731(7) . ?
B3 O6 1.45(2) . ?
B3 O11 1.449(14) . ?
B3 O8 1.484(16) . ?
B3 O10 1.501(16) . ?
B8 O17 1.335(16) . ?
B8 O16 1.364(14) . ?
B8 O14 1.394(14) . ?
B9 O15 1.359(14) . ?
B9 O13 1.359(13) . ?
B9 O14 1.393(14) . ?
B10 O19 1.438(14) . ?
B10 O16 1.475(15) . ?
B10 O18 1.475(17) . ?
B10 O15 1.502(14) . ?
B2 O7 1.357(13) . ?
B2 O8 1.362(13) . ?
B2 O9 1.376(13) . ?
B11 O18 1.331(18) . ?
B11 O20 1.344(17) . ?
B11 O21 1.41(2) . ?
B5 O11 1.424(15) . ?
B5 O5 1.461(17) . ?
B5 O7 1.480(15) 1_656 ?
B5 O12 1.505(14) . ?
B4 O6 1.353(17) . ?
B4 O4 1.36(2) . ?
B4 O5 1.360(16) . ?
O17 B7 1.459(17) . ?
O10 B6 1.349(14) 1_554 ?
O19 B7 1.478(16) 1_454 ?
O13 B7 1.468(15) 1_455 ?
O20 B7 1.51(2) 1_454 ?
O21 H21 0.9461 . ?
O4 H4 0.9431 . ?
O12 B6 1.341(15) . ?
O2 B1 1.361(19) . ?
O2 H2 0.9490 . ?
B1 O1 1.34(2) . ?
B1 O3 1.35(2) . ?
O3 H3 0.9602 . ?
O1 H1 0.9461 . ?
B6 O9 1.404(14) 1_656 ?
O22 H22A 0.8491 . ?
O22 H22B 0.8410 . ?

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
O22 Pb2 O14 71.7(3) . 1_554 ?
O22 Pb2 O15 83.6(3) . 1_655 ?
O14 Pb2 O15 123.1(2) 1_554 1_655 ?
O22 Pb2 O16 90.2(4) . . ?
O14 Pb2 O16 117.5(2) 1_554 . ?
O15 Pb2 O16 112.8(2) 1_655 . ?
O22 Pb2 O19 83.5(3) . 1_655 ?
O14 Pb2 O19 72.8(2) 1_554 1_655 ?
O15 Pb2 O19 53.7(2) 1_655 1_655 ?
O16 Pb2 O19 165.6(3) . 1_655 ?
O12 Pb1 O7 115.5(2) . 1_556 ?
O12 Pb1 O9 123.1(2) . . ?
O7 Pb1 O9 118.5(2) 1_556 . ?
O12 Pb1 O2 95.7(3) . . ?
O7 Pb1 O2 93.5(3) 1_556 . ?
O9 Pb1 O2 64.9(3) . . ?
O12 Pb1 O3 68.9(3) . . ?
O7 Pb1 O3 70.8(3) 1_556 . ?
O9 Pb1 O3 113.8(3) . . ?
O2 Pb1 O3 48.9(3) . . ?
O12 Pb1 O11 53.1(2) . . ?
O7 Pb1 O11 168.4(2) 1_556 . ?
O9 Pb1 O11 71.6(2) . . ?
O2 Pb1 O11 85.8(3) . . ?
O3 Pb1 O11 100.4(3) . . ?
O6 B3 O11 112.3(12) . . ?
O6 B3 O8 110.9(11) . . ?
O11 B3 O8 110.2(11) . . ?
O6 B3 O10 110.8(11) . . ?
O11 B3 O10 106.6(11) . . ?
O8 B3 O10 105.9(11) . . ?
O17 B8 O16 119.7(10) . . ?
O17 B8 O14 122.4(11) . . ?
O16 B8 O14 117.9(11) . . ?
O15 B9 O13 126.2(10) . . ?
O15 B9 O14 119.1(10) . . ?
O13 B9 O14 114.7(10) . . ?
O19 B10 O16 111.1(10) . . ?
O19 B10 O18 113.4(10) . . ?
O16 B10 O18 108.9(10) . . ?
O19 B10 O15 108.0(9) . . ?
O16 B10 O15 108.1(9) . . ?
O18 B10 O15 107.2(10) . . ?
O7 B2 O8 119.2(9) . . ?
O7 B2 O9 119.0(9) . . ?
O8 B2 O9 121.8(9) . . ?
O18 B11 O20 125.4(15) . . ?
O18 B11 O21 114.6(12) . . ?
O20 B11 O21 119.9(13) . . ?
O11 B5 O5 111.9(10) . . ?
O11 B5 O7 112.8(11) . 1_656 ?
O5 B5 O7 108.3(10) . 1_656 ?
O11 B5 O12 107.9(10) . . ?
O5 B5 O12 108.7(10) . . ?
O7 B5 O12 107.1(9) 1_656 . ?
O6 B4 O4 117.3(12) . . ?
O6 B4 O5 121.9(14) . . ?
O4 B4 O5 120.7(12) . . ?
B5 O11 B3 117.8(10) . . ?
B5 O11 Pb1 93.6(6) . . ?
B3 O11 Pb1 125.2(7) . . ?
B8 O17 B7 130.6(10) . . ?
B6 O10 B3 129.6(10) 1_554 . ?
B4 O6 B3 118.7(11) . . ?
B2 O8 B3 128.8(10) . . ?
B8 O16 B10 120.7(9) . . ?
B8 O16 Pb2 102.1(7) . . ?
B10 O16 Pb2 130.8(6) . . ?
B9 O14 B8 121.5(9) . . ?
B9 O14 Pb2 103.5(6) . 1_556 ?
B8 O14 Pb2 132.5(7) . 1_556 ?
B9 O15 B10 121.2(9) . . ?
B9 O15 Pb2 139.7(7) . 1_455 ?
B10 O15 Pb2 98.5(6) . 1_455 ?
B11 O18 B10 120.6(11) . . ?
B2 O7 B5 122.0(9) . 1_454 ?
B2 O7 Pb1 102.8(6) . 1_554 ?
B5 O7 Pb1 130.5(6) 1_454 1_554 ?
B10 O19 B7 117.8(10) . 1_454 ?
B10 O19 Pb2 94.9(6) . 1_455 ?
B7 O19 Pb2 124.8(7) 1_454 1_455 ?
B9 O13 B7 130.8(10) . 1_455 ?
B11 O20 B7 117.8(11) . 1_454 ?
B11 O21 H21 121.0 . . ?
B4 O5 B5 122.2(11) . . ?
B4 O4 H4 130.8 . . ?
B6 O12 B5 123.0(9) . . ?
B6 O12 Pb1 137.9(7) . . ?
B5 O12 Pb1 99.0(6) . . ?
B1 O2 Pb1 103.0(10) . . ?
B1 O2 H2 120.9 . . ?
Pb1 O2 H2 136.0 . . ?
O1 B1 O3 124.0(14) . . ?
O1 B1 O2 126.4(15) . . ?
O3 B1 O2 109.5(15) . . ?
B1 O3 Pb1 98.2(9) . . ?
B1 O3 H3 147.6 . . ?
Pb1 O3 H3 114.1 . . ?
B1 O1 H1 134.6 . . ?
O12 B6 O10 128.6(11) . 1_556 ?
O12 B6 O9 118.6(11) . 1_656 ?
O10 B6 O9 112.8(10) 1_556 1_656 ?
B2 O9 B6 121.1(9) . 1_454 ?
B2 O9 Pb1 134.3(7) . . ?
B6 O9 Pb1 103.6(7) 1_454 . ?
O17 B7 O13 108.7(11) . 1_655 ?
O17 B7 O19 111.9(11) . 1_656 ?
O13 B7 O19 105.8(10) 1_655 1_656 ?
O17 B7 O20 109.9(11) . 1_656 ?
O13 B7 O20 110.1(11) 1_655 1_656 ?
O19 B7 O20 110.4(11) 1_656 1_656 ?
Pb2 O22 H22A 107.5 . . ?
Pb2 O22 H22B 123.3 . . ?
H22A O22 H22B 106.5 . . ?

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
O5 B5 O11 B3 -36.6(15) . . . . ?
O7 B5 O11 B3 85.8(14) 1_656 . . . ?
O12 B5 O11 B3 -156.1(11) . . . . ?
O5 B5 O11 Pb1 96.7(9) . . . . ?
O7 B5 O11 Pb1 -140.9(8) 1_656 . . . ?
O12 B5 O11 Pb1 -22.8(10) . . . . ?
O6 B3 O11 B5 46.9(15) . . . . ?
O8 B3 O11 B5 171.0(11) . . . . ?
O10 B3 O11 B5 -74.5(15) . . . . ?
O6 B3 O11 Pb1 -70.4(13) . . . . ?
O8 B3 O11 Pb1 53.7(16) . . . . ?
O10 B3 O11 Pb1 168.2(7) . . . . ?
O16 B8 O17 B7 153.6(13) . . . . ?
O14 B8 O17 B7 -28(2) . . . . ?
O6 B3 O10 B6 67.8(17) . . . 1_554 ?
O11 B3 O10 B6 -169.8(12) . . . 1_554 ?
O8 B3 O10 B6 -52.5(19) . . . 1_554 ?
O4 B4 O6 B3 -174.3(12) . . . . ?
O5 B4 O6 B3 6.1(18) . . . . ?
O11 B3 O6 B4 -30.3(15) . . . . ?
O8 B3 O6 B4 -154.0(10) . . . . ?
O10 B3 O6 B4 88.7(13) . . . . ?
O7 B2 O8 B3 -145.7(14) . . . . ?
O9 B2 O8 B3 35(2) . . . . ?
O6 B3 O8 B2 57.8(16) . . . . ?
O11 B3 O8 B2 -67.1(19) . . . . ?
O10 B3 O8 B2 178.0(12) . . . . ?
O17 B8 O16 B10 -156.9(12) . . . . ?
O14 B8 O16 B10 24.6(18) . . . . ?
O17 B8 O16 Pb2 -2.0(15) . . . . ?
O14 B8 O16 Pb2 179.5(10) . . . . ?
O19 B10 O16 B8 -157.5(11) . . . . ?
O18 B10 O16 B8 76.9(14) . . . . ?
O15 B10 O16 B8 -39.2(16) . . . . ?
O19 B10 O16 Pb2 55.6(14) . . . . ?
O18 B10 O16 Pb2 -69.9(12) . . . . ?
O15 B10 O16 Pb2 174.0(7) . . . . ?
O15 B9 O14 B8 -9.8(19) . . . . ?
O13 B9 O14 B8 170.0(11) . . . . ?
O15 B9 O14 Pb2 -173.7(10) . . . 1_556 ?
O13 B9 O14 Pb2 6.0(12) . . . 1_556 ?
O17 B8 O14 B9 -176.2(12) . . . . ?
O16 B8 O14 B9 2.2(19) . . . . ?
O17 B8 O14 Pb2 -18(2) . . . 1_556 ?
O16 B8 O14 Pb2 160.9(8) . . . 1_556 ?
O13 B9 O15 B10 171.2(12) . . . . ?
O14 B9 O15 B10 -9.1(18) . . . . ?
O13 B9 O15 Pb2 -20(2) . . . 1_455 ?
O14 B9 O15 Pb2 160.0(8) . . . 1_455 ?
O19 B10 O15 B9 151.5(11) . . . . ?
O16 B10 O15 B9 31.2(15) . . . . ?
O18 B10 O15 B9 -86.0(13) . . . . ?
O19 B10 O15 Pb2 -21.4(10) . . . 1_455 ?
O16 B10 O15 Pb2 -141.7(8) . . . 1_455 ?
O18 B10 O15 Pb2 101.1(8) . . . 1_455 ?
O20 B11 O18 B10 -9(2) . . . . ?
O21 B11 O18 B10 172.7(11) . . . . ?
O19 B10 O18 B11 -7.4(16) . . . . ?
O16 B10 O18 B11 116.8(12) . . . . ?
O15 B10 O18 B11 -126.5(11) . . . . ?
O8 B2 O7 B5 160.7(12) . . . 1_454 ?
O9 B2 O7 B5 -20(2) . . . 1_454 ?
O8 B2 O7 Pb1 2.8(15) . . . 1_554 ?
O9 B2 O7 Pb1 -177.9(11) . . . 1_554 ?
O16 B10 O19 B7 -87.6(13) . . . 1_454 ?
O18 B10 O19 B7 35.4(14) . . . 1_454 ?
O15 B10 O19 B7 154.0(10) . . . 1_454 ?
O16 B10 O19 Pb2 138.6(8) . . . 1_455 ?
O18 B10 O19 Pb2 -98.4(9) . . . 1_455 ?
O15 B10 O19 Pb2 20.2(9) . . . 1_455 ?
O15 B9 O13 B7 -22(2) . . . 1_455 ?
O14 B9 O13 B7 158.0(12) . . . 1_455 ?
O18 B11 O20 B7 -3(2) . . . 1_454 ?
O21 B11 O20 B7 175.4(12) . . . 1_454 ?
O6 B4 O5 B5 4.4(19) . . . . ?
O4 B4 O5 B5 -175.2(12) . . . . ?
O11 B5 O5 B4 10.6(16) . . . . ?
O7 B5 O5 B4 -114.3(12) 1_656 . . . ?
O12 B5 O5 B4 129.6(11) . . . . ?
O11 B5 O12 B6 -151.1(11) . . . . ?
O5 B5 O12 B6 87.4(14) . . . . ?
O7 B5 O12 B6 -29.4(16) 1_656 . . . ?
O11 B5 O12 Pb1 24.7(10) . . . . ?
O5 B5 O12 Pb1 -96.8(9) . . . . ?
O7 B5 O12 Pb1 146.4(8) 1_656 . . . ?
Pb1 O2 B1 O1 -176.5(14) . . . . ?
Pb1 O2 B1 O3 5.8(14) . . . . ?
O1 B1 O3 Pb1 176.8(14) . . . . ?
O2 B1 O3 Pb1 -5.4(13) . . . . ?
B5 O12 B6 O10 -170.7(13) . . . 1_556 ?
Pb1 O12 B6 O10 15(2) . . . 1_556 ?
B5 O12 B6 O9 10.4(18) . . . 1_656 ?
Pb1 O12 B6 O9 -163.4(8) . . . 1_656 ?
O7 B2 O9 B6 -4(2) . . . 1_454 ?
O8 B2 O9 B6 175.4(12) . . . 1_454 ?
O7 B2 O9 Pb1 -170.5(9) . . . . ?
O8 B2 O9 Pb1 9(2) . . . . ?
B8 O17 B7 O13 179.2(12) . . . 1_655 ?
B8 O17 B7 O19 62.7(19) . . . 1_656 ?
B8 O17 B7 O20 -60.4(17) . . . 1_656 ?

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
O21 H21 O5 0.95 1.79 2.729(13) 169.2 1_454
O4 H4 O20 0.94 1.94 2.761(14) 145.0 1_656
O2 H2 O21 0.95 1.69 2.641(14) 177.3 .
O3 H3 O6 0.96 1.70 2.649(12) 170.6 1_556
O1 H1 O18 0.95 1.96 2.727(13) 136.6 .
O22 H22A O4 0.85 1.85 2.646(14) 154.7 .
O22 H22B O1 0.84 1.98 2.783(14) 160.5 1_554

_refine_diff_density_max         1.336
_refine_diff_density_min         -1.189
_refine_diff_density_rms         0.188



