data_3000466
loop_
_publ_author_name
'Boris Shivachev'
'Vanya Kurteva'
'Rusi Rusew'
'Zhanina Petkova'
_journal_name_full
'To be published in The Journal of Heterocyclic Chemistry'
_chemical_formula_sum            'C7 H8 N4 S4'
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.237(2)
_cell_angle_gamma                90
_cell_length_a                   13.6976(9)
_cell_length_b                   5.6120(3)
_cell_length_c                   16.5588(11)
_cell_measurement_temperature    290
_cell_volume                     1160.69(13)
_diffrn_ambient_temperature      290
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_R_factor_all          0.0345
_refine_ls_R_factor_gt           0.0297
_refine_ls_wR_factor_gt          0.0687
_refine_ls_wR_factor_ref         0.0722
_cod_database_code               3000466
_cod_hold_until_date             2024-09-18
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
