data_3000212
loop_
_publ_author_name
'Matthew Cliffe'
_journal_name_full               'To be published in Chemical Science'
_chemical_formula_sum            'C6 Bi2 N6 S6'
_chemical_name_common            'bismuth(III) thiocyanate'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                114.088(2)
_cell_angle_beta                 102.485(2)
_cell_angle_gamma                98.3880(10)
_cell_length_a                   6.5960(2)
_cell_length_b                   11.7359(4)
_cell_length_c                   12.0300(4)
_cell_measurement_temperature    180(2)
_cell_volume                     800.90(5)
_diffrn_ambient_temperature      180(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_R_factor_all          0.0550
_refine_ls_R_factor_gt           0.0425
_refine_ls_wR_factor_gt          0.1014
_refine_ls_wR_factor_ref         0.1109
_cod_database_code               3000212
_cod_hold_until_date             2019-03-25
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
