data_3000570
loop_
_publ_author_name
'Erik Rakovský'
_journal_name_full               'To be published'
_chemical_formula_sum            'C18 H16.2 Br Cl2 Fe N3 O2.6'
_chemical_name_systematic
4-((5-bromo-2-hydroxybenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one-dichlorido-iron(iii)
_space_group_name_Hall           '-P 2a 2ac'
_space_group_name_H-M_alt        'P c c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.7876(5)
_cell_length_b                   15.7007(6)
_cell_length_c                   13.9795(4)
_cell_measurement_temperature    293
_cell_volume                     4123.7(2)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54186
_refine_ls_goodness_of_fit_ref   0.950
_refine_ls_R_factor_all          0.0664
_refine_ls_R_factor_gt           0.0354
_refine_ls_wR_factor_gt          0.0833
_refine_ls_wR_factor_ref         0.0940
_cod_database_code               3000570
_cod_hold_until_date             2025-06-19
_cod_depositor_requested_release_date 2025-06-19
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
