# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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 2283167'
loop_
_audit_author_name
_audit_author_address
'Xiaojing Li'
;Xinjiang Technical Institute of Physics and Chemistry
China
;
_audit_update_record             
;
2024-09-06 deposited with the CCDC.	2024-10-23 downloaded from the CCDC.
;
_audit_creation_date             2024-08-23
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'B5 H4 K O10'
_chemical_formula_sum            'B5 H4 K O10'
_chemical_formula_weight         257.18
_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'
K K 0.2009 0.2494 '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           70
_space_group_name_H-M_alt        'F d d d'
_space_group_name_Hall           '-F 2uv 2vw'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+3/4, -y+3/4, z'
'-x+3/4, y, -z+3/4'
'x, -y+3/4, -z+3/4'
'x, y+1/2, z+1/2'
'-x+3/4, -y+5/4, z+1/2'
'-x+3/4, y+1/2, -z+5/4'
'x, -y+5/4, -z+5/4'
'x+1/2, y, z+1/2'
'-x+5/4, -y+3/4, z+1/2'
'-x+5/4, y, -z+5/4'
'x+1/2, -y+3/4, -z+5/4'
'x+1/2, y+1/2, z'
'-x+5/4, -y+5/4, z'
'-x+5/4, y+1/2, -z+3/4'
'x+1/2, -y+5/4, -z+3/4'
'-x, -y, -z'
'x-3/4, y-3/4, -z'
'x-3/4, -y, z-3/4'
'-x, y-3/4, z-3/4'
'-x, -y+1/2, -z+1/2'
'x-3/4, y-1/4, -z+1/2'
'x-3/4, -y+1/2, z-1/4'
'-x, y-1/4, z-1/4'
'-x+1/2, -y, -z+1/2'
'x-1/4, y-3/4, -z+1/2'
'x-1/4, -y, z-1/4'
'-x+1/2, y-3/4, z-1/4'
'-x+1/2, -y+1/2, -z'
'x-1/4, y-1/4, -z'
'x-1/4, -y+1/2, z-3/4'
'-x+1/2, y-1/4, z-3/4'

_cell_length_a                   11.883(3)
_cell_length_b                   13.115(3)
_cell_length_c                   21.624(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3370.1(14)
_cell_formula_units_Z            16
_cell_measurement_reflns_used    834
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.35
_cell_measurement_theta_min      2.50
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.670
_exptl_absorpt_correction_T_max  0.9279
_exptl_absorpt_correction_T_min  0.8396
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            COLOURLESS
_exptl_crystal_density_diffrn    2.028
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             2048
_exptl_crystal_size_max          0.182
_exptl_crystal_size_mid          0.086
_exptl_crystal_size_min          0.081
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0492
_diffrn_reflns_av_unetI/netI     0.0391
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            4890
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.472
_diffrn_reflns_theta_min         2.497
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                767
_reflns_number_total             969
_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       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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    'Bruker SHELXTL'
_refine_diff_density_max         0.419
_refine_diff_density_min         -0.445
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     74
_refine_ls_number_reflns         969
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0567
_refine_ls_R_factor_gt           0.0423
_refine_ls_restrained_S_all      1.074
_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)+(0.0447P)²+16.3779P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1018
_refine_ls_wR_factor_ref         0.1099
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All O(H,H) groups
2.a Riding coordinates:
 O5(H2,H1)
;
_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
K1 K 0.32331(8) 0.125000 0.125000 0.0266(3) Uani 1 2 d S T P . .
B1 B 0.3820(2) 0.0307(2) 0.26518(12) 0.0134(6) Uani 1 1 d . . . . .
B2 B 0.0036(2) -0.1597(2) 0.04782(12) 0.0141(6) Uani 1 1 d . . . . .
B3 B 0.125000 -0.0752(3) 0.125000 0.0144(8) Uani 1 2 d S T P . .
O1 O 0.30347(14) 0.10549(14) 0.25059(7) 0.0156(4) Uani 1 1 d . . . . .
O2 O 0.42354(14) -0.01794(13) 0.21360(7) 0.0157(4) Uani 1 1 d . . . . .
O3 O 0.16142(14) -0.01041(13) 0.07353(7) 0.0164(4) Uani 1 1 d . . . . .
O4 O 0.03083(14) -0.14120(14) 0.10714(7) 0.0163(4) Uani 1 1 d . . . . .
O5 O 0.5309(2) 0.1982(2) 0.19324(11) 0.0539(8) Uani 1 1 d . . . . .
H2 H 0.549146 0.176309 0.232449 0.081 Uiso 1 1 d R U . . .
H1 H 0.550176 0.262819 0.181199 0.081 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
K1 B1 3.348(3) 8_544 ?
K1 B1 3.348(3) . ?
K1 B3 3.528(3) . ?
K1 B3 3.528(3) 14_445 ?
K1 O1 2.7381(17) . ?
K1 O1 2.7381(17) 8_544 ?
K1 O2 2.9331(17) 8_544 ?
K1 O2 2.9331(17) . ?
K1 O3 2.8449(18) . ?
K1 O3 2.8448(18) 8_544 ?
K1 O5 3.030(3) 8_544 ?
K1 O5 3.030(3) . ?
B1 O1 1.390(3) . ?
B1 O2 1.376(3) . ?
B1 O3 1.336(3) 19_656 ?
B2 O1 1.379(3) 27 ?
B2 O2 1.366(3) 12_444 ?
B2 O4 1.345(3) . ?
B3 O3 1.465(3) 11_454 ?
B3 O3 1.465(3) . ?
B3 O4 1.467(3) . ?
B3 O4 1.467(3) 11_454 ?
O5 H2 0.9212 . ?
O5 H1 0.9155 . ?

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 K1 B1 155.94(10) . 8_544 ?
B1 K1 B3 82.20(5) 8_544 14_445 ?
B1 K1 B3 82.20(5) . . ?
B1 K1 B3 114.47(5) 8_544 . ?
B1 K1 B3 114.47(5) . 14_445 ?
B3 K1 B3 96.18(9) . 14_445 ?
O1 K1 B1 161.93(6) 8_544 . ?
O1 K1 B1 23.82(6) 8_544 8_544 ?
O1 K1 B1 161.93(6) . 8_544 ?
O1 K1 B1 23.82(6) . . ?
O1 K1 B3 90.69(4) 8_544 . ?
O1 K1 B3 90.69(4) . 14_445 ?
O1 K1 B3 82.70(4) 8_544 14_445 ?
O1 K1 B3 82.70(4) . . ?
O1 K1 O1 170.12(8) 8_544 . ?
O1 K1 O2 137.95(5) . 8_544 ?
O1 K1 O2 137.95(5) 8_544 . ?
O1 K1 O2 47.73(5) . . ?
O1 K1 O2 47.73(5) 8_544 8_544 ?
O1 K1 O3 105.75(5) 8_544 8_544 ?
O1 K1 O3 67.17(5) 8_544 . ?
O1 K1 O3 105.75(5) . . ?
O1 K1 O3 67.17(5) . 8_544 ?
O1 K1 O5 121.57(6) . 8_544 ?
O1 K1 O5 67.46(6) . . ?
O1 K1 O5 121.57(6) 8_544 . ?
O1 K1 O5 67.46(6) 8_544 8_544 ?
O2 K1 B1 137.99(6) . 8_544 ?
O2 K1 B1 24.18(6) . . ?
O2 K1 B1 24.18(6) 8_544 8_544 ?
O2 K1 B1 137.99(6) 8_544 . ?
O2 K1 B3 138.32(4) 8_544 . ?
O2 K1 B3 138.32(4) . 14_445 ?
O2 K1 B3 78.20(5) 8_544 14_445 ?
O2 K1 B3 78.20(5) . . ?
O2 K1 O2 132.09(8) 8_544 . ?
O2 K1 O5 63.51(6) 8_544 8_544 ?
O2 K1 O5 77.59(6) 8_544 . ?
O2 K1 O5 77.59(6) . 8_544 ?
O2 K1 O5 63.51(6) . . ?
O3 K1 B1 105.34(6) . . ?
O3 K1 B1 90.99(6) 8_544 . ?
O3 K1 B1 105.34(6) 8_544 8_544 ?
O3 K1 B1 90.99(6) . 8_544 ?
O3 K1 B3 23.62(3) 8_544 14_445 ?
O3 K1 B3 90.74(6) 8_544 . ?
O3 K1 B3 90.74(6) . 14_445 ?
O3 K1 B3 23.62(3) . . ?
O3 K1 O2 114.71(5) . 8_544 ?
O3 K1 O2 114.71(5) 8_544 . ?
O3 K1 O2 97.53(5) 8_544 8_544 ?
O3 K1 O2 97.53(5) . . ?
O3 K1 O3 94.90(8) 8_544 . ?
O3 K1 O5 159.83(6) 8_544 8_544 ?
O3 K1 O5 159.83(6) . . ?
O3 K1 O5 99.33(6) . 8_544 ?
O3 K1 O5 99.33(6) 8_544 . ?
O5 K1 B1 98.87(7) 8_544 . ?
O5 K1 B1 60.43(7) . . ?
O5 K1 B1 98.87(7) . 8_544 ?
O5 K1 B1 60.43(7) 8_544 8_544 ?
O5 K1 B3 141.22(5) . . ?
O5 K1 B3 107.93(7) . 14_445 ?
O5 K1 B3 141.22(5) 8_544 14_445 ?
O5 K1 B3 107.93(7) 8_544 . ?
O5 K1 O5 71.04(10) 8_544 . ?
O1 B1 K1 52.69(11) . . ?
O2 B1 K1 60.79(12) . . ?
O2 B1 O1 112.6(2) . . ?
O3 B1 K1 169.53(18) 19_656 . ?
O3 B1 O1 122.0(2) 19_656 . ?
O3 B1 O2 125.4(2) 19_656 . ?
O2 B2 O1 121.6(2) 12_444 27 ?
O4 B2 O1 120.6(2) . 27 ?
O4 B2 O2 117.7(2) . 12_444 ?
K1 B3 K1 83.82(9) . 14_445 ?
O3 B3 K1 51.05(11) 11_454 14_445 ?
O3 B3 K1 76.46(15) . 14_445 ?
O3 B3 K1 76.46(15) 11_454 . ?
O3 B3 K1 51.05(11) . . ?
O3 B3 O3 109.1(3) . 11_454 ?
O3 B3 O4 108.47(9) 11_454 . ?
O3 B3 O4 111.57(9) . . ?
O3 B3 O4 108.47(9) . 11_454 ?
O3 B3 O4 111.57(9) 11_454 11_454 ?
O4 B3 K1 161.62(13) 11_454 14_445 ?
O4 B3 K1 161.62(13) . . ?
O4 B3 K1 85.97(11) . 14_445 ?
O4 B3 K1 85.97(11) 11_454 . ?
O4 B3 O4 107.6(3) 11_454 . ?
B1 O1 K1 103.48(14) . . ?
B2 O1 K1 136.36(15) 19_656 . ?
B2 O1 B1 118.99(19) 19_656 . ?
B1 O2 K1 95.03(14) . . ?
B2 O2 K1 127.49(15) 12_544 . ?
B2 O2 B1 135.9(2) 12_544 . ?
B1 O3 K1 132.11(16) 27 . ?
B1 O3 B3 121.6(2) 27 . ?
B3 O3 K1 105.33(11) . . ?
B2 O4 B3 122.78(17) . . ?
K1 O5 H2 122.8 . . ?
K1 O5 H1 111.0 . . ?
H2 O5 H1 119.4 . . ?

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
O5 H1 O4 0.92 2.51 3.260(3) 139.3 7_554 yes
O5 H1 O4 0.92 2.05 2.811(3) 139.7 13 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
K1 B1 O1 B2 -169.6(2) . . . 19_656 ?
K1 B1 O2 B2 165.6(3) . . . 12_544 ?
K1 B3 O3 K1 93.00(7) 14_445 . . . ?
K1 B3 O3 B1 170.3(3) . . . 27 ?
K1 B3 O3 B1 -96.7(2) 14_445 . . 27 ?
K1 B3 O4 B2 90.8(2) 14_445 . . . ?
K1 B3 O4 B2 34.4(6) . . . . ?
O1 B1 O2 K1 10.2(2) . . . . ?
O1 B1 O2 B2 175.8(2) . . . 12_544 ?
O1 B2 O4 B3 -9.4(4) 27 . . . ?
O2 B1 O1 K1 -11.2(2) . . . . ?
O2 B1 O1 B2 179.2(2) . . . 19_656 ?
O2 B2 O4 B3 172.0(2) 12_444 . . . ?
O3 B1 O1 K1 169.0(2) 19_656 . . . ?
O3 B1 O1 B2 -0.6(4) 19_656 . . 19_656 ?
O3 B1 O2 K1 -170.0(2) 19_656 . . . ?
O3 B1 O2 B2 -4.5(5) 19_656 . . 12_544 ?
O3 B3 O3 K1 53.18(6) 11_454 . . . ?
O3 B3 O3 B1 -136.5(2) 11_454 . . 27 ?
O3 B3 O4 B2 137.3(2) 11_454 . . . ?
O3 B3 O4 B2 17.1(3) . . . . ?
O4 B3 O3 K1 173.04(16) . . . . ?
O4 B3 O3 K1 -68.6(2) 11_454 . . . ?
O4 B3 O3 B1 -16.6(3) . . . 27 ?
O4 B3 O3 B1 101.7(2) 11_454 . . 27 ?
O4 B3 O4 B2 -101.8(2) 11_454 . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_nakboh
_database_code_depnum_ccdc_archive 'CCDC 2377728'
loop_
_audit_author_name
_audit_author_address
'Xiaojing Li'
;Xinjiang Technical Institute of Physics and Chemistry
China
;
_audit_update_record             
;
2024-09-06 deposited with the CCDC.	2024-10-23 downloaded from the CCDC.
;
_audit_creation_date             2024-08-23
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'B5 H3 K Na O10'
_chemical_formula_sum            'B5 H3 K Na O10'
_chemical_formula_weight         279.16
_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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   6.6157(5)
_cell_length_b                   6.6221(5)
_cell_length_c                   11.1837(8)
_cell_angle_alpha                78.713(3)
_cell_angle_beta                 76.654(2)
_cell_angle_gamma                60.592(2)
_cell_volume                     413.33(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    1825
_cell_measurement_temperature    156.0
_cell_measurement_theta_max      27.11
_cell_measurement_theta_min      3.58
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.738
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6788
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0783 before and 0.0566 after correction.
The Ratio of minimum to maximum transmission is 0.9104.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    2.243
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             276
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0560
_diffrn_reflns_av_unetI/netI     0.0512
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6945
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.514
_diffrn_reflns_theta_min         1.880
_diffrn_ambient_temperature      156.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1578
_reflns_number_total             1899
_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 V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.360
_refine_diff_density_min         -0.371
_refine_diff_density_rms         0.078
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     154
_refine_ls_number_reflns         1899
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0442
_refine_ls_R_factor_gt           0.0348
_refine_ls_restrained_S_all      1.081
_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)+(0.0249P)²+0.2609P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0756
_refine_ls_wR_factor_ref         0.0857
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All O(H) groups, All O(H,H) groups
2.a Riding coordinates:
 O2(H1), O1(H3,H2)
;
_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
K1 K 0.65941(9) 0.18305(9) 0.07878(4) 0.01969(15) Uani 1 1 d . . . . .
Na1 Na 0.30579(17) 1.10368(17) 0.39772(9) 0.0240(2) Uani 1 1 d . . . . .
B5 B 1.0676(4) 0.2520(4) 0.1645(2) 0.0129(4) Uani 1 1 d . . . . .
B4 B 0.7580(4) 0.6513(4) 0.1673(2) 0.0137(5) Uani 1 1 d . . . . .
B1 B 0.2012(4) 0.6651(4) 0.4085(2) 0.0163(5) Uani 1 1 d . . . . .
B2 B 0.1439(4) 0.5467(4) 0.2289(2) 0.0131(5) Uani 1 1 d . . . . .
B3 B 0.3162(4) 0.8126(4) 0.1971(2) 0.0127(5) Uani 1 1 d . . . . .
O9 O 1.2110(2) 0.3097(2) 0.20282(14) 0.0137(3) Uani 1 1 d . . . . .
O4 O 0.3104(2) 0.6195(2) 0.16098(13) 0.0123(3) Uani 1 1 d . . . . .
O10 O 1.1248(3) 0.0330(3) 0.14855(14) 0.0152(3) Uani 1 1 d . . . . .
O6 O 0.5408(2) 0.8155(3) 0.14910(14) 0.0159(3) Uani 1 1 d . . . . .
O7 O 0.8992(3) 0.7104(3) 0.20743(15) 0.0184(3) Uani 1 1 d . . . . .
O3 O 0.1411(3) 0.5267(3) 0.36525(14) 0.0176(3) Uani 1 1 d . . . . .
O5 O 0.2777(3) 0.8084(3) 0.33537(14) 0.0185(3) Uani 1 1 d . . . . .
O8 O 0.8446(3) 0.4230(3) 0.14255(16) 0.0211(4) Uani 1 1 d . . . . .
O2 O 0.1750(3) 0.6627(3) 0.53578(15) 0.0258(4) Uani 1 1 d . . . . .
H1 H 0.132583 0.543606 0.573638 0.039 Uiso 1 1 d R U . . .
O1 O 0.6899(3) 1.0342(3) 0.38664(16) 0.0278(4) Uani 1 1 d . . . . .
H3 H 0.741480 1.145726 0.381046 0.042 Uiso 1 1 d R U . . .
H2 H 0.772839 0.937706 0.321856 0.042 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
K1 B5 3.317(2) . ?
K1 B4 3.238(2) 1_545 ?
K1 B3 3.047(2) 2_665 ?
K1 O9 2.7461(15) 1_455 ?
K1 O4 2.7525(15) 2_665 ?
K1 O4 2.8347(15) . ?
K1 O10 2.9795(15) . ?
K1 O10 2.8794(16) 2_755 ?
K1 O6 2.8282(15) 1_545 ?
K1 O6 3.1284(16) 2_665 ?
K1 O7 2.9660(16) 1_545 ?
K1 O8 2.7006(15) . ?
Na1 Na1 3.4267(18) 2_676 ?
Na1 B5 3.102(2) 1_465 ?
Na1 B2 3.000(2) 1_565 ?
Na1 O9 2.3732(17) 1_465 ?
Na1 O3 2.4402(18) 1_565 ?
Na1 O5 2.3005(17) . ?
Na1 O2 2.755(2) 2_576 ?
Na1 O1 2.3269(19) . ?
Na1 O1 2.407(2) 2_676 ?
B5 O9 1.355(3) . ?
B5 O10 1.345(3) . ?
B5 O8 1.392(3) . ?
B4 O6 1.342(3) . ?
B4 O7 1.359(3) . ?
B4 O8 1.390(3) . ?
B1 O3 1.361(3) . ?
B1 O5 1.343(3) . ?
B1 O2 1.392(3) . ?
B2 O9 1.476(3) 1_455 ?
B2 O4 1.419(3) . ?
B2 O7 1.486(3) 1_455 ?
B2 O3 1.502(3) . ?
B3 O4 1.434(3) . ?
B3 O10 1.490(3) 1_465 ?
B3 O6 1.467(3) . ?
B3 O5 1.505(3) . ?
O2 H1 0.9547 . ?
O1 H3 0.9407 . ?
O1 H2 0.9422 . ?

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
B4 K1 B5 107.51(6) 1_545 . ?
B3 K1 B5 117.03(6) 2_665 . ?
B3 K1 B4 99.44(6) 2_665 1_545 ?
B3 K1 O6 27.45(5) 2_665 2_665 ?
O9 K1 B5 126.07(5) 1_455 . ?
O9 K1 B4 85.99(5) 1_455 1_545 ?
O9 K1 B3 111.33(5) 1_455 2_665 ?
O9 K1 O4 50.47(4) 1_455 . ?
O9 K1 O4 115.24(5) 1_455 2_665 ?
O9 K1 O10 135.74(5) 1_455 . ?
O9 K1 O10 128.26(4) 1_455 2_755 ?
O9 K1 O6 65.03(4) 1_455 1_545 ?
O9 K1 O6 85.00(4) 1_455 2_665 ?
O9 K1 O7 98.57(5) 1_455 1_545 ?
O4 K1 B5 90.20(5) . . ?
O4 K1 B5 98.05(5) 2_665 . ?
O4 K1 B4 133.49(5) . 1_545 ?
O4 K1 B4 126.60(5) 2_665 1_545 ?
O4 K1 B3 110.25(5) . 2_665 ?
O4 K1 B3 28.05(5) 2_665 2_665 ?
O4 K1 O4 91.15(4) 2_665 . ?
O4 K1 O10 104.44(4) 2_665 . ?
O4 K1 O10 112.76(4) . . ?
O4 K1 O10 49.89(4) 2_665 2_755 ?
O4 K1 O10 138.98(4) . 2_755 ?
O4 K1 O6 122.56(5) 2_665 1_545 ?
O4 K1 O6 47.86(4) 2_665 2_665 ?
O4 K1 O6 99.80(4) . 2_665 ?
O4 K1 O7 133.29(5) . 1_545 ?
O4 K1 O7 135.54(5) 2_665 1_545 ?
O10 K1 B5 23.91(5) . . ?
O10 K1 B5 105.66(5) 2_755 . ?
O10 K1 B4 85.67(5) . 1_545 ?
O10 K1 B4 77.97(5) 2_755 1_545 ?
O10 K1 B3 112.91(5) . 2_665 ?
O10 K1 B3 28.95(5) 2_755 2_665 ?
O10 K1 O10 92.01(4) 2_755 . ?
O10 K1 O6 46.87(4) 2_755 2_665 ?
O10 K1 O6 138.39(4) . 2_665 ?
O10 K1 O7 86.82(4) 2_755 1_545 ?
O6 K1 B5 129.36(5) 1_545 . ?
O6 K1 B5 144.15(5) 2_665 . ?
O6 K1 B4 24.39(5) 1_545 1_545 ?
O6 K1 B4 90.32(5) 2_665 1_545 ?
O6 K1 B3 95.09(6) 1_545 2_665 ?
O6 K1 O4 115.35(4) 1_545 . ?
O6 K1 O10 109.32(4) 1_545 . ?
O6 K1 O10 83.52(4) 1_545 2_755 ?
O6 K1 O6 76.75(5) 1_545 2_665 ?
O6 K1 O7 47.43(4) 1_545 1_545 ?
O7 K1 B5 82.82(5) 1_545 . ?
O7 K1 B4 24.82(5) 1_545 1_545 ?
O7 K1 B3 114.01(6) 1_545 2_665 ?
O7 K1 O10 61.91(4) 1_545 . ?
O7 K1 O6 112.59(4) 1_545 2_665 ?
O8 K1 B5 24.08(5) . . ?
O8 K1 B4 128.94(5) . 1_545 ?
O8 K1 B3 116.06(6) . 2_665 ?
O8 K1 O9 111.11(5) . 1_455 ?
O8 K1 O4 90.19(5) . 2_665 ?
O8 K1 O4 67.53(4) . . ?
O8 K1 O10 117.24(5) . 2_755 ?
O8 K1 O10 47.98(4) . . ?
O8 K1 O6 146.19(5) . 1_545 ?
O8 K1 O6 137.04(5) . 2_665 ?
O8 K1 O7 104.24(5) . 1_545 ?
Na1 Na1 K1 105.11(4) 2_676 1_565 ?
B5 Na1 K1 61.29(5) 1_465 1_565 ?
B5 Na1 Na1 165.70(7) 1_465 2_676 ?
B2 Na1 K1 56.19(5) 1_565 1_565 ?
B2 Na1 Na1 129.52(6) 1_565 2_676 ?
B2 Na1 B5 48.39(6) 1_565 1_465 ?
O9 Na1 K1 44.36(4) 1_465 1_565 ?
O9 Na1 Na1 146.16(6) 1_465 2_676 ?
O9 Na1 B5 24.30(6) 1_465 1_465 ?
O9 Na1 B2 29.02(6) 1_465 1_565 ?
O9 Na1 O3 58.66(5) 1_465 1_565 ?
O9 Na1 O2 82.01(6) 1_465 2_576 ?
O9 Na1 O1 166.28(7) 1_465 2_676 ?
O3 Na1 K1 78.66(4) 1_565 1_565 ?
O3 Na1 Na1 108.45(5) 1_565 2_676 ?
O3 Na1 B5 74.60(6) 1_565 1_465 ?
O3 Na1 B2 29.85(6) 1_565 1_565 ?
O3 Na1 O2 66.28(6) 1_565 2_576 ?
O5 Na1 K1 91.28(5) . 1_565 ?
O5 Na1 Na1 111.81(6) . 2_676 ?
O5 Na1 B5 66.53(6) . 1_465 ?
O5 Na1 B2 114.70(7) . 1_565 ?
O5 Na1 O9 86.96(6) . 1_465 ?
O5 Na1 O3 139.74(7) . 1_565 ?
O5 Na1 O2 90.51(6) . 2_576 ?
O5 Na1 O1 114.00(7) . . ?
O5 Na1 O1 97.80(7) . 2_676 ?
O2 Na1 K1 126.11(5) 2_576 1_565 ?
O2 Na1 Na1 123.75(6) 2_576 2_676 ?
O2 Na1 B5 70.46(6) 2_576 1_465 ?
O2 Na1 B2 74.54(6) 2_576 1_565 ?
O1 Na1 K1 147.56(5) 2_676 1_565 ?
O1 Na1 K1 60.71(5) . 1_565 ?
O1 Na1 Na1 42.71(5) 2_676 2_676 ?
O1 Na1 Na1 44.57(5) . 2_676 ?
O1 Na1 B5 122.00(7) . 1_465 ?
O1 Na1 B5 150.13(7) 2_676 1_465 ?
O1 Na1 B2 97.51(7) . 1_565 ?
O1 Na1 B2 141.21(7) 2_676 1_565 ?
O1 Na1 O9 102.60(7) . 1_465 ?
O1 Na1 O3 111.56(7) 2_676 1_565 ?
O1 Na1 O3 94.92(7) . 1_565 ?
O1 Na1 O2 155.12(7) . 2_576 ?
O1 Na1 O2 85.07(6) 2_676 2_576 ?
O1 Na1 O1 87.27(7) . 2_676 ?
Na1 B5 K1 135.85(8) 1_645 . ?
O9 B5 K1 172.21(16) . . ?
O9 B5 Na1 46.12(10) . 1_645 ?
O9 B5 O8 120.06(19) . . ?
O10 B5 K1 63.86(11) . . ?
O10 B5 Na1 94.03(13) . 1_645 ?
O10 B5 O9 123.7(2) . . ?
O10 B5 O8 116.18(19) . . ?
O8 B5 K1 52.32(10) . . ?
O8 B5 Na1 131.17(15) . 1_645 ?
O6 B4 K1 60.46(11) . 1_565 ?
O6 B4 O7 119.5(2) . . ?
O6 B4 O8 121.37(19) . . ?
O7 B4 K1 66.34(11) . 1_565 ?
O7 B4 O8 119.11(19) . . ?
O8 B4 K1 151.01(16) . 1_565 ?
O3 B1 O2 118.0(2) . . ?
O5 B1 O3 123.7(2) . . ?
O5 B1 O2 118.3(2) . . ?
Na1 B2 K1 75.45(6) 1_545 . ?
O9 B2 K1 54.20(9) 1_455 . ?
O9 B2 Na1 51.24(9) 1_455 1_545 ?
O9 B2 O7 110.58(17) 1_455 1_455 ?
O9 B2 O3 104.72(16) 1_455 . ?
O4 B2 K1 57.40(10) . . ?
O4 B2 Na1 119.47(13) . 1_545 ?
O4 B2 O9 110.58(17) . 1_455 ?
O4 B2 O7 113.35(18) . 1_455 ?
O4 B2 O3 110.97(17) . . ?
O7 B2 K1 140.17(14) 1_455 . ?
O7 B2 Na1 127.16(14) 1_455 1_545 ?
O7 B2 O3 106.20(17) 1_455 . ?
O3 B2 K1 113.19(12) . . ?
O3 B2 Na1 53.97(9) . 1_545 ?
O4 B3 K1 64.47(10) . 2_665 ?
O4 B3 O10 108.77(16) . 1_465 ?
O4 B3 O6 112.32(18) . . ?
O4 B3 O5 111.60(17) . . ?
O10 B3 K1 69.26(10) 1_465 2_665 ?
O10 B3 O5 108.14(17) 1_465 . ?
O6 B3 K1 79.35(11) . 2_665 ?
O6 B3 O10 108.49(17) . 1_465 ?
O6 B3 O5 107.41(16) . . ?
O5 B3 K1 173.23(14) . 2_665 ?
Na1 O9 K1 98.47(6) 1_645 1_655 ?
B5 O9 K1 120.37(13) . 1_655 ?
B5 O9 Na1 109.58(13) . 1_645 ?
B5 O9 B2 124.18(17) . 1_655 ?
B2 O9 K1 99.94(11) 1_655 1_655 ?
B2 O9 Na1 99.74(12) 1_655 1_645 ?
K1 O4 K1 88.85(4) 2_665 . ?
B2 O4 K1 97.65(12) . . ?
B2 O4 K1 129.34(12) . 2_665 ?
B2 O4 B3 119.32(16) . . ?
B3 O4 K1 134.20(12) . . ?
B3 O4 K1 87.48(11) . 2_665 ?
K1 O10 K1 87.99(4) 2_755 . ?
B5 O10 K1 126.02(13) . 2_755 ?
B5 O10 K1 92.24(12) . . ?
B5 O10 B3 127.42(17) . 1_645 ?
B3 O10 K1 81.79(11) 1_645 2_755 ?
B3 O10 K1 136.73(12) 1_645 . ?
K1 O6 K1 103.25(5) 1_565 2_665 ?
B4 O6 K1 95.14(12) . 1_565 ?
B4 O6 K1 119.76(13) . 2_665 ?
B4 O6 B3 128.71(18) . . ?
B3 O6 K1 132.30(12) . 1_565 ?
B3 O6 K1 73.20(11) . 2_665 ?
B4 O7 K1 88.84(12) . 1_565 ?
B4 O7 B2 124.75(17) . 1_655 ?
B2 O7 K1 135.59(12) 1_655 1_565 ?
B1 O3 Na1 128.35(14) . 1_545 ?
B1 O3 B2 118.47(17) . . ?
B2 O3 Na1 96.18(11) . 1_545 ?
B1 O5 Na1 125.99(14) . . ?
B1 O5 B3 120.45(17) . . ?
B3 O5 Na1 112.84(12) . . ?
B5 O8 K1 103.60(12) . . ?
B4 O8 K1 134.77(13) . . ?
B4 O8 B5 121.20(17) . . ?
Na1 O2 H1 75.5 2_576 . ?
B1 O2 Na1 102.54(14) . 2_576 ?
B1 O2 H1 107.7 . . ?
K1 O1 H3 86.6 1_565 . ?
K1 O1 H2 52.2 1_565 . ?
Na1 O1 K1 82.83(5) . 1_565 ?
Na1 O1 K1 172.96(8) 2_676 1_565 ?
Na1 O1 Na1 92.73(7) . 2_676 ?
Na1 O1 H3 127.1 . . ?
Na1 O1 H3 100.4 2_676 . ?
Na1 O1 H2 103.1 . . ?
Na1 O1 H2 124.2 2_676 . ?
H3 O1 H2 110.4 . . ?

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
O2 H1 O3 0.95 2.02 2.852(2) 144.1 2_566
O1 H3 O2 0.94 2.04 2.895(2) 150.1 2_676
O1 H2 O7 0.94 1.90 2.831(2) 167.5 .

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
K1 B5 O10 K1 89.14(11) . . . 2_755 ?
K1 B5 O10 B3 -161.3(2) . . . 1_645 ?
K1 B5 O8 B4 173.5(2) . . . . ?
K1 B4 O6 K1 108.45(11) 1_565 . . 2_665 ?
K1 B4 O6 B3 -159.7(2) 1_565 . . . ?
K1 B4 O7 B2 -148.8(2) 1_565 . . 1_655 ?
K1 B4 O8 K1 -92.1(3) 1_565 . . . ?
K1 B4 O8 B5 96.9(3) 1_565 . . . ?
K1 B2 O4 K1 94.82(12) . . . 2_665 ?
K1 B2 O4 B3 -151.91(18) . . . . ?
K1 B2 O3 Na1 -49.50(11) . . . 1_545 ?
K1 B2 O3 B1 90.74(19) . . . . ?
K1 B3 O4 K1 85.95(13) 2_665 . . . ?
K1 B3 O4 B2 -134.67(17) 2_665 . . . ?
K1 B3 O6 K1 92.81(13) 2_665 . . 1_565 ?
K1 B3 O6 B4 -115.0(2) 2_665 . . . ?
Na1 B5 O9 K1 112.93(14) 1_645 . . 1_655 ?
Na1 B5 O9 B2 -117.3(2) 1_645 . . 1_655 ?
Na1 B5 O10 K1 -130.80(10) 1_645 . . 2_755 ?
Na1 B5 O10 K1 140.06(6) 1_645 . . . ?
Na1 B5 O10 B3 -21.3(2) 1_645 . . 1_645 ?
Na1 B5 O8 K1 -121.93(14) 1_645 . . . ?
Na1 B5 O8 B4 51.5(3) 1_645 . . . ?
Na1 B2 O4 K1 140.08(9) 1_545 . . 2_665 ?
Na1 B2 O4 K1 45.26(13) 1_545 . . . ?
Na1 B2 O4 B3 -106.65(17) 1_545 . . . ?
Na1 B2 O3 B1 140.2(2) 1_545 . . . ?
O9 B5 O10 K1 178.0(2) . . . . ?
O9 B5 O10 K1 -92.9(2) . . . 2_755 ?
O9 B5 O10 B3 16.7(3) . . . 1_645 ?
O9 B5 O8 K1 -178.03(17) . . . . ?
O9 B5 O8 B4 -4.6(3) . . . . ?
O9 B2 O4 K1 -10.96(16) 1_455 . . . ?
O9 B2 O4 K1 83.85(19) 1_455 . . 2_665 ?
O9 B2 O4 B3 -162.87(16) 1_455 . . . ?
O9 B2 O3 Na1 7.45(15) 1_455 . . 1_545 ?
O9 B2 O3 B1 147.69(18) 1_455 . . . ?
O4 B2 O3 Na1 -111.88(15) . . . 1_545 ?
O4 B2 O3 B1 28.3(3) . . . . ?
O4 B3 O6 K1 149.35(13) . . . 1_565 ?
O4 B3 O6 K1 56.55(14) . . . 2_665 ?
O4 B3 O6 B4 -58.5(3) . . . . ?
O4 B3 O5 Na1 176.84(13) . . . . ?
O4 B3 O5 B1 -12.3(3) . . . . ?
O10 B5 O9 K1 54.6(3) . . . 1_655 ?
O10 B5 O9 Na1 -58.3(2) . . . 1_645 ?
O10 B5 O9 B2 -175.62(19) . . . 1_655 ?
O10 B5 O8 K1 0.3(2) . . . . ?
O10 B5 O8 B4 173.82(19) . . . . ?
O10 B3 O4 K1 54.78(15) 1_465 . . 2_665 ?
O10 B3 O4 K1 140.72(13) 1_465 . . . ?
O10 B3 O4 B2 -79.9(2) 1_465 . . . ?
O10 B3 O6 K1 29.1(2) 1_465 . . 1_565 ?
O10 B3 O6 K1 -63.72(13) 1_465 . . 2_665 ?
O10 B3 O6 B4 -178.71(19) 1_465 . . . ?
O10 B3 O5 Na1 -63.57(17) 1_465 . . . ?
O10 B3 O5 B1 107.3(2) 1_465 . . . ?
O6 B4 O7 K1 -30.0(2) . . . 1_565 ?
O6 B4 O7 B2 -178.80(19) . . . 1_655 ?
O6 B4 O8 K1 -7.3(3) . . . . ?
O6 B4 O8 B5 -178.4(2) . . . . ?
O6 B3 O4 K1 -65.32(16) . . . 2_665 ?
O6 B3 O4 K1 20.6(3) . . . . ?
O6 B3 O4 B2 160.01(17) . . . . ?
O6 B3 O5 Na1 53.33(18) . . . . ?
O6 B3 O5 B1 -135.8(2) . . . . ?
O7 B4 O6 K1 140.19(16) . . . 2_665 ?
O7 B4 O6 K1 31.7(2) . . . 1_565 ?
O7 B4 O6 B3 -128.0(2) . . . . ?
O7 B4 O8 K1 174.65(14) . . . . ?
O7 B4 O8 B5 3.6(3) . . . . ?
O7 B2 O4 K1 -41.0(2) 1_455 . . 2_665 ?
O7 B2 O4 K1 -135.79(15) 1_455 . . . ?
O7 B2 O4 B3 72.3(2) 1_455 . . . ?
O7 B2 O3 Na1 124.51(14) 1_455 . . 1_545 ?
O7 B2 O3 B1 -95.3(2) 1_455 . . . ?
O3 B1 O5 Na1 165.67(16) . . . . ?
O3 B1 O5 B3 -3.9(3) . . . . ?
O3 B1 O2 Na1 -71.9(2) . . . 2_576 ?
O3 B2 O4 K1 -160.38(11) . . . 2_665 ?
O3 B2 O4 K1 104.80(15) . . . . ?
O3 B2 O4 B3 -47.1(2) . . . . ?
O5 B1 O3 Na1 121.4(2) . . . 1_545 ?
O5 B1 O3 B2 -4.4(3) . . . . ?
O5 B1 O2 Na1 106.2(2) . . . 2_576 ?
O5 B3 O4 K1 -100.06(18) . . . . ?
O5 B3 O4 K1 173.99(15) . . . 2_665 ?
O5 B3 O4 B2 39.3(2) . . . . ?
O5 B3 O6 K1 179.62(16) . . . 2_665 ?
O5 B3 O6 K1 -87.57(19) . . . 1_565 ?
O5 B3 O6 B4 64.6(3) . . . . ?
O8 B5 O9 K1 -127.15(18) . . . 1_655 ?
O8 B5 O9 Na1 119.92(19) . . . 1_645 ?
O8 B5 O9 B2 2.6(3) . . . 1_655 ?
O8 B5 O10 K1 88.8(2) . . . 2_755 ?
O8 B5 O10 K1 -0.30(19) . . . . ?
O8 B5 O10 B3 -161.64(19) . . . 1_645 ?
O8 B4 O6 K1 -146.30(19) . . . 1_565 ?
O8 B4 O6 K1 -37.8(3) . . . 2_665 ?
O8 B4 O6 B3 54.0(3) . . . . ?
O8 B4 O7 K1 148.11(19) . . . 1_565 ?
O8 B4 O7 B2 -0.7(3) . . . 1_655 ?
O2 B1 O3 Na1 -60.6(3) . . . 1_545 ?
O2 B1 O3 B2 173.55(19) . . . . ?
O2 B1 O5 Na1 -12.3(3) . . . . ?
O2 B1 O5 B3 178.12(19) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
