# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2026

####################################################################### 
# 
# 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_a
_database_code_depnum_ccdc_archive 'CCDC 2498738'
loop_
_audit_author_name
_audit_author_address
'Yucheng Hao'
;Hefei University
China
;
_audit_update_record             
;
2025-10-29 deposited with the CCDC.	2025-12-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'B2 F K O6 Zn3'
_chemical_formula_weight         371.83

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'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      hexagonal
_space_group_IT_number           176
_space_group_name_H-M_alt        'P 63/m'
_space_group_name_Hall           '-P 6c'

_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'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'

_cell_length_a                   4.9239(2)
_cell_length_b                   4.9239(2)
_cell_length_c                   14.6598(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     307.81(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    1465
_cell_measurement_theta_min      2.7830
_cell_measurement_theta_max      29.0320

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    4.012
_exptl_crystal_F_000             352
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_exptl_absorpt_coefficient_mu    12.274
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.67149
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'ROD, Synergy Custom DW system, HyPix'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            1892
_diffrn_reflns_av_unetI/netI     0.0141
_diffrn_reflns_av_R_equivalents  0.0238
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.779
_diffrn_reflns_theta_max         29.095
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.827
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.827
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.827
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             243
_reflns_number_gt                223
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0413P)²+0.0848P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    .
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         243
_refine_ls_number_parameters     22
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0256
_refine_ls_R_factor_gt           0.0238
_refine_ls_wR_factor_ref         0.0621
_refine_ls_wR_factor_gt          0.0615
_refine_ls_goodness_of_fit_ref   1.176
_refine_ls_restrained_S_all      1.176
_refine_ls_shift/su_max          0.000
_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
K1 K 0.0000 1.0000 0.2500 0.0146(4) Uani 1 6 d S T P . .
Zn1 Zn 1.0000 1.0000 0.5000 0.0065(3) Uani 1 6 d S T P . .
B1 B 0.6667 0.3333 0.4115(4) 0.0067(10) Uani 1 3 d S T P . .
Zn2 Zn 0.3333 0.6667 0.38781(3) 0.0069(2) Uani 1 3 d S T P . .
O1 O 0.6982(4) 0.6279(4) 0.41142(12) 0.0084(4) Uani 1 1 d . . . . .
F1 F 0.3333 0.6667 0.2500 0.0174(9) Uani 1 6 d S T 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
K1 F1 2.84280(12) 1_565 ?
K1 F1 2.84280(11) 1_455 ?
K1 F1 2.84281(11) . ?
K1 O1 2.9056(18) 10_456 ?
K1 O1 2.9056(18) 2_665 ?
K1 O1 2.9056(18) 3_575 ?
K1 O1 2.9056(18) 12_576 ?
K1 O1 2.9056(18) 11_666 ?
K1 O1 2.9056(18) 1_455 ?
K1 Zn2 3.4876(3) . ?
K1 Zn2 3.4876(3) 10_456 ?
K1 Zn2 3.4876(3) 1_565 ?
Zn1 O1 2.1281(18) 7_776 ?
Zn1 O1 2.1281(18) 9_656 ?
Zn1 O1 2.1281(18) 3_675 ?
Zn1 O1 2.1281(18) 8_566 ?
Zn1 O1 2.1281(18) 2_765 ?
Zn1 O1 2.1281(18) . ?
Zn1 K1 3.66495(18) 1_655 ?
Zn1 K1 3.66495(18) 7_676 ?
B1 O1 1.3795(19) . ?
B1 O1 1.3795(19) 3_665 ?
B1 O1 1.3795(19) 2_655 ?
Zn2 O1 1.9303(19) 2_665 ?
Zn2 O1 1.9303(19) 3_565 ?
Zn2 O1 1.9303(19) . ?
Zn2 F1 2.0203(5) . ?
Zn2 K1 3.4876(3) 1_545 ?
Zn2 K1 3.4876(3) 1_655 ?
O1 K1 2.9056(18) 1_655 ?
F1 Zn2 2.0204(5) 10_556 ?
F1 K1 2.84282(12) 1_545 ?
F1 K1 2.84282(11) 1_655 ?

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
F1 K1 F1 120.0 1_565 1_455 ?
F1 K1 F1 120.0 1_565 . ?
F1 K1 F1 120.0 1_455 . ?
F1 K1 O1 123.10(4) 1_565 10_456 ?
F1 K1 O1 63.71(4) 1_455 10_456 ?
F1 K1 O1 84.08(4) . 10_456 ?
F1 K1 O1 84.08(4) 1_565 2_665 ?
F1 K1 O1 123.10(4) 1_455 2_665 ?
F1 K1 O1 63.71(4) . 2_665 ?
O1 K1 O1 146.27(3) 10_456 2_665 ?
F1 K1 O1 63.71(4) 1_565 3_575 ?
F1 K1 O1 84.08(4) 1_455 3_575 ?
F1 K1 O1 123.10(4) . 3_575 ?
O1 K1 O1 146.27(3) 10_456 3_575 ?
O1 K1 O1 60.33(6) 2_665 3_575 ?
F1 K1 O1 63.71(4) 1_565 12_576 ?
F1 K1 O1 84.08(4) 1_455 12_576 ?
F1 K1 O1 123.10(4) . 12_576 ?
O1 K1 O1 60.33(6) 10_456 12_576 ?
O1 K1 O1 146.27(3) 2_665 12_576 ?
O1 K1 O1 109.06(7) 3_575 12_576 ?
F1 K1 O1 84.08(4) 1_565 11_666 ?
F1 K1 O1 123.10(4) 1_455 11_666 ?
F1 K1 O1 63.71(4) . 11_666 ?
O1 K1 O1 60.33(6) 10_456 11_666 ?
O1 K1 O1 109.06(7) 2_665 11_666 ?
O1 K1 O1 146.27(3) 3_575 11_666 ?
O1 K1 O1 60.33(6) 12_576 11_666 ?
F1 K1 O1 123.10(4) 1_565 1_455 ?
F1 K1 O1 63.71(4) 1_455 1_455 ?
F1 K1 O1 84.08(4) . 1_455 ?
O1 K1 O1 109.06(7) 10_456 1_455 ?
O1 K1 O1 60.33(6) 2_665 1_455 ?
O1 K1 O1 60.33(6) 3_575 1_455 ?
O1 K1 O1 146.27(3) 12_576 1_455 ?
O1 K1 O1 146.27(3) 11_666 1_455 ?
F1 K1 Zn2 114.051(2) 1_565 . ?
F1 K1 Zn2 114.051(2) 1_455 . ?
F1 K1 Zn2 35.401(7) . . ?
O1 K1 Zn2 112.82(4) 10_456 . ?
O1 K1 Zn2 33.61(4) 2_665 . ?
O1 K1 Zn2 88.47(4) 3_575 . ?
O1 K1 Zn2 156.48(4) 12_576 . ?
O1 K1 Zn2 96.36(4) 11_666 . ?
O1 K1 Zn2 56.23(4) 1_455 . ?
F1 K1 Zn2 114.052(2) 1_565 10_456 ?
F1 K1 Zn2 35.401(7) 1_455 10_456 ?
F1 K1 Zn2 114.051(2) . 10_456 ?
O1 K1 Zn2 33.60(4) 10_456 10_456 ?
O1 K1 Zn2 156.48(4) 2_665 10_456 ?
O1 K1 Zn2 112.82(4) 3_575 10_456 ?
O1 K1 Zn2 56.23(4) 12_576 10_456 ?
O1 K1 Zn2 88.47(4) 11_666 10_456 ?
O1 K1 Zn2 96.36(4) 1_455 10_456 ?
Zn2 K1 Zn2 131.897(4) . 10_456 ?
F1 K1 Zn2 35.401(7) 1_565 1_565 ?
F1 K1 Zn2 114.052(2) 1_455 1_565 ?
F1 K1 Zn2 114.051(2) . 1_565 ?
O1 K1 Zn2 156.48(4) 10_456 1_565 ?
O1 K1 Zn2 56.23(4) 2_665 1_565 ?
O1 K1 Zn2 33.60(4) 3_575 1_565 ?
O1 K1 Zn2 96.36(4) 12_576 1_565 ?
O1 K1 Zn2 112.82(4) 11_666 1_565 ?
O1 K1 Zn2 88.47(4) 1_455 1_565 ?
Zn2 K1 Zn2 89.806(9) . 1_565 ?
Zn2 K1 Zn2 131.898(4) 10_456 1_565 ?
O1 Zn1 O1 86.65(7) 7_776 9_656 ?
O1 Zn1 O1 93.35(7) 7_776 3_675 ?
O1 Zn1 O1 180.00(7) 9_656 3_675 ?
O1 Zn1 O1 86.65(7) 7_776 8_566 ?
O1 Zn1 O1 86.65(7) 9_656 8_566 ?
O1 Zn1 O1 93.35(7) 3_675 8_566 ?
O1 Zn1 O1 93.35(7) 7_776 2_765 ?
O1 Zn1 O1 93.35(7) 9_656 2_765 ?
O1 Zn1 O1 86.65(7) 3_675 2_765 ?
O1 Zn1 O1 180.0 8_566 2_765 ?
O1 Zn1 O1 180.0 7_776 . ?
O1 Zn1 O1 93.35(7) 9_656 . ?
O1 Zn1 O1 86.65(7) 3_675 . ?
O1 Zn1 O1 93.35(7) 8_566 . ?
O1 Zn1 O1 86.65(7) 2_765 . ?
O1 Zn1 K1 127.60(5) 7_776 1_655 ?
O1 Zn1 K1 127.60(5) 9_656 1_655 ?
O1 Zn1 K1 52.40(5) 3_675 1_655 ?
O1 Zn1 K1 127.60(5) 8_566 1_655 ?
O1 Zn1 K1 52.40(5) 2_765 1_655 ?
O1 Zn1 K1 52.40(5) . 1_655 ?
O1 Zn1 K1 52.40(5) 7_776 7_676 ?
O1 Zn1 K1 52.40(5) 9_656 7_676 ?
O1 Zn1 K1 127.60(5) 3_675 7_676 ?
O1 Zn1 K1 52.40(5) 8_566 7_676 ?
O1 Zn1 K1 127.60(5) 2_765 7_676 ?
O1 Zn1 K1 127.60(5) . 7_676 ?
K1 Zn1 K1 180.0 1_655 7_676 ?
O1 B1 O1 120.000(2) . 3_665 ?
O1 B1 O1 120.000(2) . 2_655 ?
O1 B1 O1 120.000(2) 3_665 2_655 ?
O1 Zn2 O1 116.86(3) 2_665 3_565 ?
O1 Zn2 O1 116.86(3) 2_665 . ?
O1 Zn2 O1 116.86(3) 3_565 . ?
O1 Zn2 F1 100.33(5) 2_665 . ?
O1 Zn2 F1 100.33(5) 3_565 . ?
O1 Zn2 F1 100.33(5) . . ?
O1 Zn2 K1 146.16(5) 2_665 1_545 ?
O1 Zn2 K1 56.42(5) 3_565 1_545 ?
O1 Zn2 K1 91.95(5) . 1_545 ?
F1 Zn2 K1 54.599(7) . 1_545 ?
O1 Zn2 K1 56.42(5) 2_665 . ?
O1 Zn2 K1 91.95(5) 3_565 . ?
O1 Zn2 K1 146.16(5) . . ?
F1 Zn2 K1 54.599(7) . . ?
K1 Zn2 K1 89.807(9) 1_545 . ?
O1 Zn2 K1 91.95(5) 2_665 1_655 ?
O1 Zn2 K1 146.16(5) 3_565 1_655 ?
O1 Zn2 K1 56.42(5) . 1_655 ?
F1 Zn2 K1 54.599(7) . 1_655 ?
K1 Zn2 K1 89.807(9) 1_545 1_655 ?
K1 Zn2 K1 89.807(9) . 1_655 ?
B1 O1 Zn2 118.89(12) . . ?
B1 O1 Zn1 124.6(2) . . ?
Zn2 O1 Zn1 107.95(9) . . ?
B1 O1 K1 114.6(2) . 1_655 ?
Zn2 O1 K1 89.97(6) . 1_655 ?
Zn1 O1 K1 92.14(6) . 1_655 ?
Zn2 F1 Zn2 180.0 . 10_556 ?
Zn2 F1 K1 90.0 . . ?
Zn2 F1 K1 90.0 10_556 . ?
Zn2 F1 K1 90.0 . 1_545 ?
Zn2 F1 K1 90.0 10_556 1_545 ?
K1 F1 K1 120.0 . 1_545 ?
Zn2 F1 K1 90.0 . 1_655 ?
Zn2 F1 K1 90.0 10_556 1_655 ?
K1 F1 K1 120.0 . 1_655 ?
K1 F1 K1 120.0 1_545 1_655 ?

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
O1 B1 O1 Zn2 168.2(3) 3_665 . . . ?
O1 B1 O1 Zn2 -11.8(6) 2_655 . . . ?
O1 B1 O1 Zn1 -47.9(6) 3_665 . . . ?
O1 B1 O1 Zn1 132.2(3) 2_655 . . . ?
O1 B1 O1 K1 63.6(5) 3_665 . . 1_655 ?
O1 B1 O1 K1 -116.4(4) 2_655 . . 1_655 ?

_refine_diff_density_max         0.466
_refine_diff_density_min         -1.688
_refine_diff_density_rms         0.277



####################################################################### 
# 
# 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_a_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2498739'
loop_
_audit_author_name
_audit_author_address
'Yucheng Hao'
;Hefei University
China
;
_audit_update_record             
;
2025-10-29 deposited with the CCDC.	2025-12-22 downloaded from the CCDC.
;
_audit_creation_date             2024-10-25
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'B12 F2 H6 Na6 O24 Zn'
_chemical_formula_sum            'B12 H6 F2 Na6 O24 Zn'
_chemical_formula_weight         761.08
_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'
F F 0.0171 0.0103 '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'
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'
Zn Zn 0.2839 1.4301 '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      trigonal
_space_group_IT_number           167
_space_group_name_H-M_alt        'R -3 c'
_space_group_name_Hall           '-R 3 2"c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'

_cell_length_a                   9.6204(2)
_cell_length_b                   9.6204(2)
_cell_length_c                   36.5046(12)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     2925.93(16)
_cell_formula_units_Z            6
_cell_measurement_reflns_used    259
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22
_cell_measurement_theta_min      3
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.542
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.592
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2232
_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  0.0260
_diffrn_reflns_av_unetI/netI     0.0131
_diffrn_reflns_Laue_measured_fraction_full 0.968
_diffrn_reflns_Laue_measured_fraction_max 0.898
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       48
_diffrn_reflns_limit_l_min       -48
_diffrn_reflns_number            10475
_diffrn_reflns_point_group_measured_fraction_full 0.968
_diffrn_reflns_point_group_measured_fraction_max 0.898
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.385
_diffrn_reflns_theta_min         2.687
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.898
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                778
_reflns_number_total             815
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         1.055
_refine_diff_density_min         -1.899
_refine_diff_density_rms         0.271
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.260
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     73
_refine_ls_number_reflns         815
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1061
_refine_ls_R_factor_gt           0.1047
_refine_ls_restrained_S_all      1.259
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0490P)²+286.5557P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2597
_refine_ls_wR_factor_ref         0.2601
_refine_special_details          ?
_olex2_refinement_description    
;
1. Shared sites
{Zn1, Na3}
2. Restrained distances
 O1-H1
 0.85 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(Zn1) = Uanis(Na3)
4. Others
 Fixed Sof: Zn1(0.166667) Na3(0.166667)
;
_atom_sites_solution_hydrogens   difmap
_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
Zn1 Zn 0.666667 0.333333 0.36381(8) 0.0172(7) Uani 0.5 3 d S T P A 3
Na1 Na 0.666667 0.333333 0.47545(16) 0.0140(12) Uani 1 3 d S T P . .
Na2 Na 0.333333 0.2438(6) 0.416667 0.047(2) Uani 1 2 d S T P . .
O1 O 0.5355(7) 0.4923(7) 0.55678(15) 0.0137(12) Uani 1 1 d D . . . .
B1 B 0.3049(10) 0.1415(10) 0.4956(2) 0.0087(15) Uani 1 1 d . . . . .
O2 O 0.4366(6) 0.2645(6) 0.51869(14) 0.0088(10) Uani 1 1 d . . . . .
O3 O 0.2080(7) 0.2049(7) 0.48135(15) 0.0131(12) Uani 1 1 d . . . . .
O4 O 0.3783(7) 0.1037(6) 0.46537(14) 0.0104(11) Uani 1 1 d . . . . .
B2 B 0.4147(10) 0.3749(10) 0.5365(2) 0.0086(15) Uani 1 1 d . . . . .
F1 F 0.666667 0.333333 0.4121(3) 0.067(5) Uani 1 3 d S T P A .
H1 H 0.619(8) 0.488(13) 0.551(3) 0.02(3) Uiso 1 1 d D . . . .
Na3 Na 0.666667 0.333333 0.36381(8) 0.0172(7) Uani 0.5 3 d S T P A 4


_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
Zn1 Zn1 2.225(6) 31_655 ?
Zn1 Na2 3.462(2) 3_665 ?
Zn1 Na2 3.462(2) . ?
Zn1 Na2 3.462(2) 2_655 ?
Zn1 O3 2.032(6) 11 ?
Zn1 O3 2.032(6) 10 ?
Zn1 O3 2.032(6) 12 ?
Zn1 F1 1.762(12) . ?
Na1 Na2 3.587(4) 2_655 ?
Na1 Na2 3.587(4) 3_665 ?
Na1 B1 3.105(9) 3_665 ?
Na1 B1 3.105(9) 2_655 ?
Na1 B1 3.105(9) . ?
Na1 O2 2.522(6) 3_665 ?
Na1 O2 2.522(6) . ?
Na1 O2 2.522(6) 2_655 ?
Na1 O4 2.566(6) 2_655 ?
Na1 O4 2.566(6) . ?
Na1 O4 2.566(6) 3_665 ?
Na1 F1 2.313(13) . ?
Na2 O1 2.403(7) 30_455 ?
Na2 O1 2.403(7) 19_666 ?
Na2 B1 3.014(9) . ?
Na2 B1 3.014(9) 12 ?
Na2 O3 2.592(6) 12 ?
Na2 O3 2.592(6) . ?
Na2 O4 2.397(6) . ?
Na2 O4 2.397(6) 12 ?
Na2 F1 2.8795(17) 10_445 ?
Na2 F1 2.8795(17) . ?
Na2 Na3 3.462(2) . ?
O1 B2 1.365(10) . ?
O1 H1 0.85(2) . ?
B1 O2 1.488(9) . ?
B1 O3 1.442(9) . ?
B1 O3 1.493(10) 20_556 ?
B1 O4 1.452(9) . ?
B1 Na3 2.842(9) 34 ?
O2 B2 1.348(10) . ?
O3 Na3 2.676(6) 34 ?
O4 B2 1.367(10) 20_556 ?
F1 Na3 1.762(12) . ?

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
Zn1 Zn1 Na2 123.87(4) 31_655 2_655 ?
Zn1 Zn1 Na2 123.87(4) 31_655 . ?
Na2 Zn1 Na2 91.95(6) 2_655 3_665 ?
Na2 Zn1 Na2 91.95(6) 2_655 . ?
Na2 Zn1 Na2 91.95(6) . 3_665 ?
O3 Zn1 Zn1 77.75(17) 11 31_655 ?
O3 Zn1 Zn1 77.75(17) 10 31_655 ?
O3 Zn1 Zn1 77.75(17) 12 31_655 ?
O3 Zn1 Na2 109.76(19) 11 . ?
O3 Zn1 Na2 133.22(19) 11 3_665 ?
O3 Zn1 Na2 133.22(19) 12 2_655 ?
O3 Zn1 Na2 48.08(17) 12 . ?
O3 Zn1 Na2 109.76(19) 10 2_655 ?
O3 Zn1 Na2 133.22(19) 10 . ?
O3 Zn1 Na2 109.76(19) 12 3_665 ?
O3 Zn1 Na2 48.09(17) 11 2_655 ?
O3 Zn1 Na2 48.09(17) 10 3_665 ?
O3 Zn1 O3 115.62(12) 10 12 ?
O3 Zn1 O3 115.63(12) 11 10 ?
O3 Zn1 O3 115.62(12) 11 12 ?
F1 Zn1 Zn1 180.0 . 31_655 ?
F1 Zn1 Na2 56.13(4) . 2_655 ?
F1 Zn1 Na2 56.13(4) . . ?
F1 Zn1 Na2 56.13(4) . 3_665 ?
F1 Zn1 O3 102.25(18) . 10 ?
F1 Zn1 O3 102.25(17) . 11 ?
F1 Zn1 O3 102.25(17) . 12 ?
Na2 Na1 Na2 87.90(11) 2_655 3_665 ?
B1 Na1 Na2 52.95(16) 3_665 3_665 ?
B1 Na1 Na2 135.3(2) . 3_665 ?
B1 Na1 Na2 108.52(18) . 2_655 ?
B1 Na1 Na2 52.95(16) 2_655 2_655 ?
B1 Na1 Na2 135.3(2) 3_665 2_655 ?
B1 Na1 Na2 108.53(18) 2_655 3_665 ?
B1 Na1 B1 114.54(14) 3_665 . ?
B1 Na1 B1 114.54(14) 2_655 . ?
B1 Na1 B1 114.54(14) 2_655 3_665 ?
O2 Na1 Na2 134.81(14) 3_665 2_655 ?
O2 Na1 Na2 131.96(15) . 2_655 ?
O2 Na1 Na2 131.96(15) 2_655 3_665 ?
O2 Na1 Na2 134.81(14) . 3_665 ?
O2 Na1 Na2 75.51(12) 2_655 2_655 ?
O2 Na1 Na2 75.51(12) 3_665 3_665 ?
O2 Na1 B1 112.8(2) 3_665 . ?
O2 Na1 B1 92.7(2) 2_655 . ?
O2 Na1 B1 28.32(18) 3_665 3_665 ?
O2 Na1 B1 92.7(2) 3_665 2_655 ?
O2 Na1 B1 28.32(18) . . ?
O2 Na1 B1 28.32(18) 2_655 2_655 ?
O2 Na1 B1 92.7(2) . 3_665 ?
O2 Na1 B1 112.8(2) . 2_655 ?
O2 Na1 B1 112.8(2) 2_655 3_665 ?
O2 Na1 O2 85.0(2) 2_655 3_665 ?
O2 Na1 O2 85.0(2) . 3_665 ?
O2 Na1 O2 85.0(2) 2_655 . ?
O2 Na1 O4 140.4(2) 2_655 3_665 ?
O2 Na1 O4 140.4(2) 3_665 . ?
O2 Na1 O4 93.66(18) 2_655 . ?
O2 Na1 O4 93.66(18) 3_665 2_655 ?
O2 Na1 O4 55.57(17) 2_655 2_655 ?
O2 Na1 O4 140.4(2) . 2_655 ?
O2 Na1 O4 55.57(17) . . ?
O2 Na1 O4 93.66(18) . 3_665 ?
O2 Na1 O4 55.57(17) 3_665 3_665 ?
O4 Na1 Na2 82.02(17) 2_655 3_665 ?
O4 Na1 Na2 128.8(2) 3_665 2_655 ?
O4 Na1 Na2 128.8(2) . 3_665 ?
O4 Na1 Na2 41.88(14) 3_665 3_665 ?
O4 Na1 Na2 41.88(14) 2_655 2_655 ?
O4 Na1 Na2 82.02(17) . 2_655 ?
O4 Na1 B1 27.64(18) . . ?
O4 Na1 B1 137.4(2) 3_665 2_655 ?
O4 Na1 B1 137.37(19) . 3_665 ?
O4 Na1 B1 27.64(18) 3_665 3_665 ?
O4 Na1 B1 104.61(19) 2_655 3_665 ?
O4 Na1 B1 104.61(19) . 2_655 ?
O4 Na1 B1 104.61(19) 3_665 . ?
O4 Na1 B1 137.37(19) 2_655 . ?
O4 Na1 B1 27.64(18) 2_655 2_655 ?
O4 Na1 O4 117.98(8) . 3_665 ?
O4 Na1 O4 117.98(8) 2_655 3_665 ?
O4 Na1 O4 117.98(8) 2_655 . ?
F1 Na1 Na2 53.26(7) . 2_655 ?
F1 Na1 Na2 53.26(7) . 3_665 ?
F1 Na1 B1 103.74(18) . 3_665 ?
F1 Na1 B1 103.74(18) . 2_655 ?
F1 Na1 B1 103.74(18) . . ?
F1 Na1 O2 128.75(15) . 2_655 ?
F1 Na1 O2 128.75(16) . 3_665 ?
F1 Na1 O2 128.75(15) . . ?
F1 Na1 O4 81.76(17) . 3_665 ?
F1 Na1 O4 81.76(17) . 2_655 ?
F1 Na1 O4 81.76(17) . . ?
O1 Na2 Zn1 108.06(16) 19_666 10_445 ?
O1 Na2 Zn1 91.73(15) 30_455 10_445 ?
O1 Na2 O1 74.9(3) 19_666 30_455 ?
O1 Na2 B1 82.7(2) 30_455 12 ?
O1 Na2 B1 125.0(2) 30_455 . ?
O1 Na2 B1 125.0(2) 19_666 12 ?
O1 Na2 B1 82.7(2) 19_666 . ?
O1 Na2 O3 75.3(2) 19_666 . ?
O1 Na2 O3 96.6(2) 19_666 12 ?
O1 Na2 O3 96.6(2) 30_455 . ?
O1 Na2 O3 75.3(2) 30_455 12 ?
O1 Na2 F1 128.3(2) 19_666 10_445 ?
O1 Na2 F1 128.3(2) 30_455 . ?
O1 Na2 F1 77.84(18) 19_666 . ?
O1 Na2 F1 77.84(18) 30_455 10_445 ?
O1 Na2 Na3 108.07(16) 30_455 . ?
O1 Na2 Na3 91.73(15) 19_666 . ?
B1 Na2 Zn1 48.97(17) . 10_445 ?
B1 Na2 Zn1 122.41(19) 12 10_445 ?
B1 Na2 B1 147.4(4) . 12 ?
B1 Na2 Na3 48.97(16) 12 . ?
B1 Na2 Na3 122.41(18) . . ?
O3 Na2 Zn1 35.70(13) . 10_445 ?
O3 Na2 Zn1 148.19(14) 12 10_445 ?
O3 Na2 B1 28.57(19) 12 12 ?
O3 Na2 B1 158.1(2) 12 . ?
O3 Na2 B1 158.1(2) . 12 ?
O3 Na2 B1 28.56(19) . . ?
O3 Na2 O3 169.9(4) . 12 ?
O3 Na2 F1 65.2(3) 12 . ?
O3 Na2 F1 65.2(3) . 10_445 ?
O3 Na2 F1 117.7(3) 12 10_445 ?
O3 Na2 F1 117.7(3) . . ?
O3 Na2 Na3 35.70(13) 12 . ?
O3 Na2 Na3 148.19(14) . . ?
O4 Na2 Zn1 64.67(14) . 10_445 ?
O4 Na2 Zn1 98.53(17) 12 10_445 ?
O4 Na2 O1 152.6(2) . 30_455 ?
O4 Na2 O1 152.7(2) 12 19_666 ?
O4 Na2 O1 98.49(19) 12 30_455 ?
O4 Na2 O1 98.49(19) . 19_666 ?
O4 Na2 B1 120.9(3) 12 . ?
O4 Na2 B1 28.30(19) . . ?
O4 Na2 B1 120.9(3) . 12 ?
O4 Na2 B1 28.31(19) 12 12 ?
O4 Na2 O3 56.27(18) . . ?
O4 Na2 O3 132.1(2) 12 . ?
O4 Na2 O3 132.1(2) . 12 ?
O4 Na2 O3 56.27(18) 12 12 ?
O4 Na2 O4 98.6(3) . 12 ?
O4 Na2 F1 86.5(2) 12 . ?
O4 Na2 F1 86.5(2) . 10_445 ?
O4 Na2 F1 74.0(2) . . ?
O4 Na2 F1 74.0(2) 12 10_445 ?
O4 Na2 Na3 98.53(17) . . ?
O4 Na2 Na3 64.67(14) 12 . ?
F1 Na2 Zn1 138.7(2) . 10_445 ?
F1 Na2 Zn1 30.5(2) 10_445 10_445 ?
F1 Na2 B1 93.4(3) . . ?
F1 Na2 B1 78.2(3) 10_445 . ?
F1 Na2 B1 93.4(3) 10_445 12 ?
F1 Na2 B1 78.2(3) . 12 ?
F1 Na2 F1 150.1(2) 10_445 . ?
F1 Na2 Na3 138.7(2) 10_445 . ?
F1 Na2 Na3 30.5(2) . . ?
Na2 O1 H1 98(8) 19_666 . ?
B2 O1 Na2 150.9(5) . 19_666 ?
B2 O1 H1 105(8) . . ?
Na2 B1 Na1 71.8(2) . . ?
O2 B1 Na1 53.5(4) . . ?
O2 B1 Na2 112.3(5) . . ?
O2 B1 O3 108.6(6) . 20_556 ?
O2 B1 Na3 113.1(5) . 34 ?
O3 B1 Na1 115.6(5) . . ?
O3 B1 Na1 134.1(5) 20_556 . ?
O3 B1 Na2 59.2(4) . . ?
O3 B1 Na2 138.9(5) 20_556 . ?
O3 B1 O2 110.0(6) . . ?
O3 B1 O3 110.2(7) . 20_556 ?
O3 B1 O4 109.1(6) . . ?
O3 B1 Na3 43.3(3) 20_556 34 ?
O3 B1 Na3 68.5(4) . 34 ?
O4 B1 Na1 55.0(4) . . ?
O4 B1 Na2 51.5(3) . . ?
O4 B1 O2 107.6(6) . . ?
O4 B1 O3 111.2(6) . 20_556 ?
O4 B1 Na3 137.3(5) . 34 ?
Na3 B1 Na1 166.5(3) 34 . ?
Na3 B1 Na2 119.2(3) 34 . ?
B1 O2 Na1 98.1(4) . . ?
B2 O2 Na1 123.8(5) . . ?
B2 O2 B1 119.5(6) . . ?
Zn1 O3 Na2 96.2(2) 10_445 . ?
Zn1 O3 Na3 54.33(19) 10_445 34 ?
Na2 O3 Na3 147.1(3) . 34 ?
B1 O3 Zn1 106.5(4) 21_556 10_445 ?
B1 O3 Zn1 101.4(5) . 10_445 ?
B1 O3 Na2 133.0(5) 21_556 . ?
B1 O3 Na2 92.2(4) . . ?
B1 O3 B1 121.6(4) . 21_556 ?
B1 O3 Na3 75.4(4) 21_556 34 ?
B1 O3 Na3 81.3(4) . 34 ?
Na2 O4 Na1 92.5(2) . . ?
B1 O4 Na1 97.3(4) . . ?
B1 O4 Na2 100.2(4) . . ?
B2 O4 Na1 110.3(5) 20_556 . ?
B2 O4 Na2 127.7(5) 20_556 . ?
B2 O4 B1 121.4(6) 20_556 . ?
O1 B2 O4 116.7(7) . 21_556 ?
O2 B2 O1 120.6(7) . . ?
O2 B2 O4 122.7(7) . 21_556 ?
Zn1 F1 Na1 180.0 . . ?
Zn1 F1 Na2 93.3(2) . . ?
Zn1 F1 Na2 93.3(2) . 2_655 ?
Na1 F1 Na2 86.7(2) . . ?
Na1 F1 Na2 86.7(2) . 3_665 ?
Na1 F1 Na2 86.7(2) . 2_655 ?
Na2 F1 Na2 119.67(5) 2_655 . ?
Na2 F1 Na2 119.66(5) 3_665 . ?
Na2 F1 Na2 119.67(5) 2_655 3_665 ?
Na3 F1 Na1 180.0 . . ?
Na3 F1 Na2 93.3(2) . . ?
Na3 F1 Na2 93.3(2) . 2_655 ?
B1 Na3 B1 54.85(5) 11 28 ?
B1 Na3 B1 101.5(2) 28 30 ?
B1 Na3 B1 108.36(19) 11 10 ?
B1 Na3 B1 108.36(19) 12 10 ?
B1 Na3 B1 54.85(5) 11 30 ?
B1 Na3 B1 132.88(18) 12 30 ?
B1 Na3 B1 108.36(19) 11 12 ?
B1 Na3 B1 54.85(5) 12 28 ?
B1 Na3 B1 54.85(5) 10 30 ?
B1 Na3 B1 132.88(18) 10 28 ?
O3 Na3 B1 84.2(2) 12 10 ?
O3 Na3 B1 136.9(2) 10 12 ?
O3 Na3 B1 130.5(2) 10 28 ?
O3 Na3 B1 77.5(2) 30 10 ?
O3 Na3 B1 31.4(2) 11 11 ?
O3 Na3 B1 110.9(2) 28 10 ?
O3 Na3 B1 84.2(2) 11 12 ?
O3 Na3 B1 77.5(2) 28 11 ?
O3 Na3 B1 32.1(2) 30 11 ?
O3 Na3 B1 32.1(2) 28 12 ?
O3 Na3 B1 31.4(2) 10 10 ?
O3 Na3 B1 77.5(2) 29 12 ?
O3 Na3 B1 84.2(2) 10 11 ?
O3 Na3 B1 71.4(2) 30 28 ?
O3 Na3 B1 106.5(2) 28 30 ?
O3 Na3 B1 106.5(2) 29 28 ?
O3 Na3 B1 30.11(19) 28 28 ?
O3 Na3 B1 31.4(2) 12 12 ?
O3 Na3 B1 30.2(2) 11 28 ?
O3 Na3 B1 110.9(2) 30 12 ?
O3 Na3 B1 86.0(2) 11 30 ?
O3 Na3 B1 30.11(19) 30 30 ?
O3 Na3 B1 110.9(2) 29 11 ?
O3 Na3 B1 71.4(2) 29 30 ?
O3 Na3 B1 130.5(2) 12 30 ?
O3 Na3 B1 136.9(3) 11 10 ?
O3 Na3 B1 86.0(2) 12 28 ?
O3 Na3 B1 32.1(2) 29 10 ?
O3 Na3 B1 136.9(3) 12 11 ?
O3 Na3 B1 30.2(2) 10 30 ?
O3 Na3 O3 59.68(12) 12 29 ?
O3 Na3 O3 125.67(19) 10 28 ?
O3 Na3 O3 59.68(12) 10 30 ?
O3 Na3 O3 59.68(12) 11 28 ?
O3 Na3 O3 80.00(18) 30 28 ?
O3 Na3 O3 125.67(19) 11 29 ?
O3 Na3 O3 115.62(12) 11 12 ?
O3 Na3 O3 80.00(18) 30 29 ?
O3 Na3 O3 115.62(12) 10 12 ?
O3 Na3 O3 59.68(12) 12 28 ?
O3 Na3 O3 59.68(12) 11 30 ?
O3 Na3 O3 115.63(12) 11 10 ?
O3 Na3 O3 80.00(18) 28 29 ?
O3 Na3 O3 125.67(19) 12 30 ?
O3 Na3 O3 59.68(12) 10 29 ?
F1 Na3 B1 116.56(17) . 30 ?
F1 Na3 B1 110.56(19) . 12 ?
F1 Na3 B1 116.56(17) . 28 ?
F1 Na3 B1 110.56(19) . 10 ?
F1 Na3 B1 110.56(19) . 11 ?
F1 Na3 O3 132.08(12) . 29 ?
F1 Na3 O3 132.08(12) . 30 ?
F1 Na3 O3 132.08(12) . 28 ?
F1 Na3 O3 102.25(18) . 10 ?
F1 Na3 O3 102.25(17) . 12 ?
F1 Na3 O3 102.25(17) . 11 ?

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
Na1 B1 O2 B2 136.6(7) . . . . ?
Na1 B1 O3 Zn1 143.2(3) . . . 10_445 ?
Na1 B1 O3 Na2 46.4(4) . . . . ?
Na1 B1 O3 B1 -99.2(7) . . . 21_556 ?
Na1 B1 O3 Na3 -166.0(4) . . . 34 ?
Na1 B1 O4 Na2 -93.9(3) . . . . ?
Na1 B1 O4 B2 119.2(7) . . . 20_556 ?
Na1 O2 B2 O1 -52.7(9) . . . . ?
Na1 O2 B2 O4 125.8(7) . . . 21_556 ?
Na2 Zn1 F1 Na2 -119.999(1) . . . 3_665 ?
Na2 Zn1 F1 Na2 -120.001(2) 3_665 . . 2_655 ?
Na2 Zn1 F1 Na2 -120.000(1) 2_655 . . . ?
Na2 Zn1 F1 Na2 120.001(1) 2_655 . . 3_665 ?
Na2 Zn1 F1 Na2 120.000(3) . . . 2_655 ?
Na2 Zn1 F1 Na2 119.999(1) 3_665 . . . ?
Na2 O1 B2 O2 153.6(7) 19_666 . . . ?
Na2 O1 B2 O4 -25.0(14) 19_666 . . 21_556 ?
Na2 B1 O2 Na1 -43.7(4) . . . . ?
Na2 B1 O2 B2 93.0(6) . . . . ?
Na2 B1 O3 Zn1 96.8(3) . . . 10_445 ?
Na2 B1 O3 B1 -145.6(8) . . . 21_556 ?
Na2 B1 O3 Na3 147.6(2) . . . 34 ?
Na2 B1 O4 Na1 93.9(3) . . . . ?
Na2 B1 O4 B2 -146.9(8) . . . 20_556 ?
Na2 F1 Na3 B1 -17.3(2) . . . 12 ?
Na2 F1 Na3 B1 42.7(2) 3_665 . . 30 ?
Na2 F1 Na3 B1 -17.3(2) 2_655 . . 11 ?
Na2 F1 Na3 B1 -17.3(2) 3_665 . . 10 ?
Na2 F1 Na3 B1 -77.3(2) 2_655 . . 30 ?
Na2 F1 Na3 B1 162.7(2) . . . 30 ?
Na2 F1 Na3 B1 -137.3(2) 3_665 . . 12 ?
Na2 F1 Na3 B1 102.7(2) . . . 10 ?
Na2 F1 Na3 B1 -137.3(2) . . . 11 ?
Na2 F1 Na3 B1 162.7(2) 3_665 . . 28 ?
Na2 F1 Na3 B1 -137.3(2) 2_655 . . 10 ?
Na2 F1 Na3 B1 102.7(2) 3_665 . . 11 ?
Na2 F1 Na3 B1 102.7(2) 2_655 . . 12 ?
Na2 F1 Na3 B1 42.7(2) 2_655 . . 28 ?
Na2 F1 Na3 B1 -77.3(2) . . . 28 ?
Na2 F1 Na3 O3 -45.72(19) . . . 28 ?
Na2 F1 Na3 O3 -105.7(2) . . . 11 ?
Na2 F1 Na3 O3 -105.72(19) 2_655 . . 10 ?
Na2 F1 Na3 O3 -165.71(19) 3_665 . . 28 ?
Na2 F1 Na3 O3 14.28(19) . . . 12 ?
Na2 F1 Na3 O3 -45.72(19) 2_655 . . 30 ?
Na2 F1 Na3 O3 14.28(19) 3_665 . . 10 ?
Na2 F1 Na3 O3 -165.7(2) 2_655 . . 29 ?
Na2 F1 Na3 O3 134.3(2) 3_665 . . 11 ?
Na2 F1 Na3 O3 -105.72(19) 3_665 . . 12 ?
Na2 F1 Na3 O3 74.28(19) 3_665 . . 30 ?
Na2 F1 Na3 O3 -45.7(2) 3_665 . . 29 ?
Na2 F1 Na3 O3 74.28(19) 2_655 . . 28 ?
Na2 F1 Na3 O3 -165.72(19) . . . 30 ?
Na2 F1 Na3 O3 134.28(19) . . . 10 ?
Na2 F1 Na3 O3 74.3(2) . . . 29 ?
Na2 F1 Na3 O3 134.28(19) 2_655 . . 12 ?
Na2 F1 Na3 O3 14.3(2) 2_655 . . 11 ?
B1 O2 B2 O1 -177.7(7) . . . . ?
B1 O2 B2 O4 0.7(11) . . . 21_556 ?
O2 B1 O3 Zn1 -158.6(5) . . . 10_445 ?
O2 B1 O3 Na2 104.6(6) . . . . ?
O2 B1 O3 B1 -41.0(10) . . . 21_556 ?
O2 B1 O3 Na3 -107.8(6) . . . 34 ?
O2 B1 O4 Na1 -10.9(6) . . . . ?
O2 B1 O4 Na2 -104.8(5) . . . . ?
O2 B1 O4 B2 108.2(8) . . . 20_556 ?
O3 Zn1 F1 Na2 14.28(19) 10 . . 3_665 ?
O3 Zn1 F1 Na2 134.3(2) 12 . . 2_655 ?
O3 Zn1 F1 Na2 14.28(19) 12 . . . ?
O3 Zn1 F1 Na2 134.28(19) 10 . . . ?
O3 Zn1 F1 Na2 14.3(2) 11 . . 2_655 ?
O3 Zn1 F1 Na2 -105.7(2) 10 . . 2_655 ?
O3 Zn1 F1 Na2 -105.72(19) 12 . . 3_665 ?
O3 Zn1 F1 Na2 -105.72(19) 11 . . . ?
O3 Zn1 F1 Na2 134.28(19) 11 . . 3_665 ?
O3 B1 O2 Na1 -107.6(6) . . . . ?
O3 B1 O2 Na1 131.7(5) 20_556 . . . ?
O3 B1 O2 B2 29.0(9) . . . . ?
O3 B1 O2 B2 -91.7(7) 20_556 . . . ?
O3 B1 O3 Zn1 -38.8(5) 20_556 . . 10_445 ?
O3 B1 O3 Na2 -135.6(5) 20_556 . . . ?
O3 B1 O3 B1 78.8(9) 20_556 . . 21_556 ?
O3 B1 O3 Na3 11.9(5) 20_556 . . 34 ?
O3 B1 O4 Na1 108.4(6) . . . . ?
O3 B1 O4 Na1 -129.8(5) 20_556 . . . ?
O3 B1 O4 Na2 136.3(5) 20_556 . . . ?
O3 B1 O4 Na2 14.5(6) . . . . ?
O3 B1 O4 B2 -10.6(10) 20_556 . . 20_556 ?
O3 B1 O4 B2 -132.4(7) . . . 20_556 ?
O4 B1 O2 Na1 11.2(6) . . . . ?
O4 B1 O2 B2 147.8(6) . . . . ?
O4 B1 O3 Zn1 83.6(6) . . . 10_445 ?
O4 B1 O3 Na2 -13.2(6) . . . . ?
O4 B1 O3 B1 -158.8(6) . . . 21_556 ?
O4 B1 O3 Na3 134.4(6) . . . 34 ?
Na3 B1 O2 Na1 177.9(3) 34 . . . ?
Na3 B1 O2 B2 -45.4(8) 34 . . . ?
Na3 B1 O3 Na2 -147.6(2) 34 . . . ?
Na3 B1 O3 B1 66.8(7) 34 . . 21_556 ?
Na3 B1 O4 Na1 -172.8(6) 34 . . . ?
Na3 B1 O4 Na2 93.3(7) 34 . . . ?
Na3 B1 O4 B2 -53.7(10) 34 . . 20_556 ?

_olex2_submission_special_instructions 'No special instructions were received'
