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

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

data_KB11H14
_database_code_depnum_ccdc_archive 'CCDC 2090015'
loop_
_audit_author_name
_audit_author_address
'Terry D. Humphries'
;Curtin University
Australia
;
_audit_update_record             
;
2021-06-15 deposited with the CCDC.	2021-06-20 downloaded from the CCDC.
;
_chemical_name_Common            'Potassium tetradecahydro-nido-undecaborate'
_chemical_formula_moiety         'B11 H14 K1'
_chemical_formula_sum            'H14 B11 K1'
_chemical_formula_structural     'K B11 H14'
_exptl_crystal_density_diffrn    1.16494
_diffrn_ambient_temperature      293
_cell_length_a                   7.19499(8)
_cell_length_b                   7.04622(8)
_cell_length_c                   19.4087(2)
_cell_angle_alpha                90.7188(7)
_cell_angle_beta                 94.0453(7)
_cell_angle_gamma                89.9709(7)
_cell_volume                     981.444
_cell_formula_units_Z            2
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_chemical_absolute_configuration ?
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z '
'-x, -y, -z '
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
K1 K 2 0.8851(5) 0.2735(5) 0.6002(2) 1 5.00(8)
K2 K 2 0.2382(5) 0.8775(5) 0.9081(2) 1 5.00(8)
B1a B 2 0.201(7) 0.893(5) 0.081(2) 1 2.91(9)
B2a B 2 0.224(6) 0.653(5) 0.056(2) 1 2.91(9)
B3a B 2 0.045(6) 0.725(5) 0.106(2) 1 2.91(9)
B4a B 2 0.420(7) 0.793(6) 0.076(2) 1 2.91(9)
B5a B 2 0.137(8) 0.898(6) 0.167(2) 1 2.91(9)
B6a B 2 0.367(8) 0.939(6) 0.149(2) 1 2.91(9)
B7a B 2 0.158(6) 0.510(5) 0.121(2) 1 2.91(9)
B8a B 2 0.411(6) 0.556(6) 0.102(2) 1 2.91(9)
B9a B 2 0.105(7) 0.669(6) 0.194(2) 1 2.91(9)
B10a B 2 0.501(7) 0.741(7) 0.162(2) 1 2.91(9)
B11a B 2 0.316(8) 0.822(7) 0.226(2) 1 2.91(9)
B1b B 2 0.777(5) 0.400(8) 0.419(2) 1 2.91(9)
B2b B 2 0.892(5) 0.320(7) 0.347(2) 1 2.91(9)
B3b B 2 0.692(4) 0.461(8) 0.336(2) 1 2.91(9)
B4b B 2 0.876(7) 0.176(7) 0.418(2) 1 2.91(9)
B5b B 2 0.534(5) 0.39(1) 0.397(2) 1 2.91(9)
B6b B 2 0.646(7) 0.211(9) 0.447(2) 1 2.91(9)
B7b B 2 0.729(5) 0.276(7) 0.279(2) 1 2.91(9)
B8b B 2 0.852(7) 0.083(7) 0.334(2) 1 2.91(9)
B9b B 2 0.497(5) 0.32(1) 0.312(2) 1 2.91(9)
B10b B 2 0.691(8) 0.015(9) 0.398(2) 1 2.91(9)
B11b B 2 0.454(7) 0.15(1) 0.388(2) 1 2.91(9)
H1a H 2 0.150(6) 0.007(5) 0.040(2) 1 3
H2a H 2 0.192(5) -0.405(4) -0.002(2) 1 3
H3a H 2 -0.107(6) -0.267(4) 0.083(2) 1 3
H4a H 2 0.516(6) -0.154(6) 0.034(2) 1 3
H5a H 2 0.048(7) 0.024(6) 0.188(2) 1 3
H6a H 2 0.426(7) 0.093(7) 0.158(3) 1 3
H7a H 2 0.090(4) -0.640(4) 0.110(2) 1 3
H8a H 2 0.501(4) -0.566(6) 0.079(2) 1 3
H9a H 2 0.001(6) -0.370(6) 0.235(2) 1 3
H10a H 2 0.654(6) -0.256(7) 0.183(3) 1 3
H11a H 2 0.332(8) -0.073(7) 0.274(2) 1 3
H12a H 2 0.356(6) -0.332(7) 0.246(2) 1 3
H13a H 2 0.206(5) -0.487(6) 0.187(2) 1 3
H14a H 2 0.454(5) -0.441(6) 0.167(2) 1 3
H1b H 2 0.844(5) 0.517(8) 0.456(2) 1 3
H2b H 2 1.041(5) 0.378(5) 0.332(1) 1 3
H3b H 2 0.702(4) 0.618(8) 0.321(2) 1 3
H4b H 2 1.004(7) 0.144(7) 0.456(2) 1 3
H5b H 2 0.430(5) 0.490(1) 0.422(2) 1 3
H6b H 2 0.613(7) 0.20(10) 0.505(2) 1 3
H7b H 2 0.764(4) 0.296(7) 0.221(2) 1 3
H8b H 2 0.960(7) -0.018(6) 0.310(2) 1 3
H9b H 2 0.365(5) 0.36(1) 0.277(2) 1 3
H10b H 2 0.685(9) -0.139(9) 0.418(2) 1 3
H11b H 2 0.317(7) 0.13(1) 0.417(3) 1 3
H12b H 2 0.443(7) 0.05(1) 0.339(2) 1 3
H13b H 2 0.576(6) 0.180(9) 0.276(2) 1 3
H14b H 2 0.697(7) -0.009(8) 0.330(2) 1 3
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.5634756

_chemical_name_systematic        'Potassium tetradecahydro-nido-undecaborate'
_chemical_properties_physical    Air-sensitive,Hygroscopic,Deliquescent
