data_3000608
loop_
_publ_author_name
'Rakovský, Erik'
'Šebesta, Radovan'
_journal_name_full               'To be published'
_chemical_formula_sum            'C19 H19 Fe N S'
_chemical_name_systematic        (S)-N-(1-phenylethyl)ferrocenylthioamide
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.774(12)
_cell_angle_gamma                90
_cell_length_a                   5.8832(8)
_cell_length_b                   12.6346(13)
_cell_length_c                   10.7293(18)
_cell_measurement_temperature    100
_cell_volume                     788.20(19)
_diffrn_ambient_temperature      100
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54186
_refine_ls_goodness_of_fit_ref   1.0708
_refine_ls_R_factor_all          0.0407
_refine_ls_R_factor_gt           0.0396
_refine_ls_wR_factor_gt          0.1059
_refine_ls_wR_factor_ref         0.1078
_cod_database_code               3000608
_cod_hold_until_date             2026-01-21
_cod_depositor_requested_release_date 2026-01-21
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
