Potassium borohydride
Luck, Rudy L.; Schelter, Eric J.; Acta Crystallographica Section C 55 (1999) IUC9900151–; doi:10.1107/S010827019909842X

data_2009321
_publ_section_title
;
 Potassium borohydride
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              IUC9900151
_journal_paper_doi               10.1107/S010827019909842X
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          'K[B1 H4]'
_chemical_formula_moiety         'B1 H4 K1'
_chemical_formula_sum            'B H4 K'
_chemical_formula_weight         53.94
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.7280(8)
_cell_length_b                   6.7280(19)
_cell_length_c                   6.7280(13)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     304.55(11)
_computing_cell_refinement       'CAD-4 EXPRESS'
_computing_data_collection       'CAD-4 EXPRESS (Enraf--Nonius, 1992)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_publication_material  'WinGX (Farrugia, 1998)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_measurement_device_type  'Enraf-Nonius Turbo CAD-4'
_diffrn_measurement_method       'non-profiled \q/2\q'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0164
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -1
_diffrn_reflns_number            113
_diffrn_reflns_theta_full        25.82
_diffrn_reflns_theta_max         25.82
_diffrn_reflns_theta_min         5.25
_diffrn_standards_decay_%        1
_diffrn_standards_interval_time  40
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.391
_exptl_absorpt_correction_T_max  0.873
_exptl_absorpt_correction_T_min  0.768
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.176
_exptl_crystal_density_meas      1.178
_exptl_crystal_density_method    '(Weast, 1982-1983)'
_exptl_crystal_description       prism
_exptl_crystal_F_000             112
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.079
_refine_diff_density_min         -0.03
_refine_ls_extinction_coef       0.083(9)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.239
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     6
_refine_ls_number_reflns         29
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.239
_refine_ls_R_factor_gt           0.005
_refine_ls_shift/su_max          0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.011
_reflns_number_gt                29
_reflns_number_total             29
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            qb0131.cif
_cod_data_source_block           I
_cod_database_code               2009321
_cod_database_fobs_code          2009321