data_3000162
loop_
_publ_author_name
'Katrusiak, A.'
'Tomkowiak, H.'
_journal_name_full               'To be published in CGD'
_chemical_formula_sum            'C H4 N2 S'
_chemical_name_common            thiourea
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_length_a                   6.9746(6)
_cell_length_b                   24.518(19)
_cell_length_c                   5.4608(3)
_cell_measurement_temperature    296(2)
_cell_volume                     933.8(7)
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_R_factor_all          0.0610
_refine_ls_R_factor_gt           0.0520
_refine_ls_wR_factor_gt          0.1428
_refine_ls_wR_factor_ref         0.1521
_cod_database_code               3000162
_cod_hold_until_date             2018-03-30
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
