data_3000216
loop_
_publ_author_name
'Matthew Cliffe'
_journal_name_full               'To be published in Chemical Science'
_diffrn_ambient_temperature      180(2)
_cell_measurement_temperature    180(2)
_chemical_name_common            'scandium(III) hexathiocyanatobismuthate'
_chemical_formula_sum            'C6 Bi N6 S6 Sc'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_length_a                   8.4782(2)
_cell_length_b                   8.6324(2)
_cell_length_c                   12.2676(3)
_cell_angle_alpha                90
_cell_angle_beta                 90.3450(10)
_cell_angle_gamma                90
_cell_volume                     897.82(4)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_refine_ls_R_factor_all          0.0406
_refine_ls_R_factor_gt           0.0286
_refine_ls_wR_factor_gt          0.0627
_refine_ls_wR_factor_ref         0.0669
_refine_ls_goodness_of_fit_ref   1.093
_cod_hold_until_date             2019-03-25
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
