data_3000568
loop_
_publ_author_name
'Toms Rekis'
_journal_name_full               'To be published'
_chemical_formula_sum            'C3 H12 Fe0.5 N7.458 O7.373'
_chemical_name_common            'hexakis(urea-O)iron(III) nitrate'
_chemical_name_systematic        ' hexakis(urea-O)iron(III) nitrate'
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.380(4)
_cell_angle_gamma                90
_cell_length_a                   11.1534(4)
_cell_length_b                   18.6443(6)
_cell_length_c                   12.1716(5)
_cell_measurement_temperature    100
_cell_volume                     2340.41(16)
_diffrn_ambient_temperature      100
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.5
_refine_ls_goodness_of_fit_gt    4.41
_refine_ls_goodness_of_fit_ref   3.08
_refine_ls_R_factor_all          0.1514
_refine_ls_R_factor_gt           0.0887
_refine_ls_wR_factor_gt          0.1067
_refine_ls_wR_factor_ref         0.1103
_cod_database_code               3000568
_cod_hold_until_date             2025-04-18
_cod_depositor_requested_release_date 2025-04-18
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
