data_3000278
loop_
_publ_author_name
'Erik Rakovský'
'Hrobárik, Peter'
_journal_name_full               'To be published'
_chemical_formula_sum            'C8 H5 I2 N S'
_chemical_name_systematic        4,7-diiodo-2-methylbenzothiazole
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.592(4)
_cell_angle_gamma                90
_cell_length_a                   13.1690(6)
_cell_length_b                   4.2536(3)
_cell_length_c                   19.0445(9)
_cell_measurement_temperature    290(2)
_cell_volume                     1041.13(10)
_diffrn_ambient_temperature      290
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.56083
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_R_factor_all          0.0375
_refine_ls_R_factor_gt           0.0281
_refine_ls_wR_factor_gt          0.0742
_refine_ls_wR_factor_ref         0.0804
_cod_database_code               3000278
_cod_hold_until_date             2021-08-08
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
