data_3000494
loop_
_publ_author_name
'Zhanina S. Petkova'
'Rusi I. Rusew'
'Boris Shivachev'
'Vanya B. Kurteva'
_journal_name_full               'To be published in Molecules'
_chemical_formula_sum            'C10 H14 N4 S4'
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                99.56(2)
_cell_angle_beta                 103.889(19)
_cell_angle_gamma                90.88(2)
_cell_length_a                   5.640(3)
_cell_length_b                   6.849(4)
_cell_length_c                   9.469(6)
_cell_measurement_temperature    290.00
_cell_volume                     349.6(4)
_diffrn_ambient_temperature      290.00
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.161
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0504
_refine_ls_wR_factor_gt          0.1140
_refine_ls_wR_factor_ref         0.1178
_cod_database_code               3000494
_cod_hold_until_date             2025-02-17
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
