Structure of tetramethylammonium tetrabromocobaltate at room temperature
Nishihata, Y.; Sawada, A.; Kasatani, H.; Terauchi, H.; Acta Crystallographica Section C 49 (1993) 1939–1941; doi:10.1107/S0108270193004937

data_2001219
_publ_section_title
;
 Structure of tetramethylammonium tetrabromocobaltate at room
 temperature
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1939
_journal_page_last               1941
_journal_paper_doi               10.1107/S0108270193004937
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C8 H24 Br4 Co N2'
_chemical_formula_weight         526.90
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2n -2a'
_symmetry_space_group_name_H-M   'P m c n'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.247(2)
_cell_length_b                   16.052(6)
_cell_length_c                   12.683(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      13
_cell_measurement_theta_min      7
_cell_volume                     1882.6(9)
_diffrn_measurement_device       'Rigaku AFC off-centre'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1152
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        1
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    9.304
_exptl_absorpt_correction_T_max  0.243
_exptl_absorpt_correction_T_min  0.222
_exptl_absorpt_correction_type   'integration sphere'
_exptl_crystal_colour            'clear blue'
_exptl_crystal_density_diffrn    1.859
_exptl_crystal_description       Sphere
_exptl_crystal_size_rad          0.117(3)
_refine_diff_density_max         0.73
_refine_diff_density_min         -0.66
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.323
_refine_ls_number_parameters     126
_refine_ls_number_reflns         727
_refine_ls_R_factor_obs          0.0605
_refine_ls_shift/esd_max         0.067
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0465
_reflns_number_observed          727
_reflns_number_total             1152
_reflns_observed_criterion       F>3\s(F)
_cod_data_source_file            oh1026.cif
_cod_data_source_block           oh1026_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^' was changed to 'calc'.
New tag '_refine_ls_weighting_details' was created. The value of the
new tag was set to 'w = 1/\s^2^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1882.0(10)
_cod_original_formula_sum        'C8 H24 Br4 Co1 N2'
_cod_database_code               2001219