Dichlorobis[<i>N</i>-(2-oxymethylphenyl)salicylideneiminato]diiron(III)
Koikawa, Masayuki; Iwashita, Kumiko; Tokii, Tadashi; Acta Crystallographica Section E 60 (2004) m239–m241; doi:10.1107/S1600536804001709

data_2203254
_publ_section_title
;
 Dichlorobis[<i>N</i>-(2-oxymethylphenyl)salicylideneiminato]diiron(III)
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m239
_journal_page_last               m241
_journal_paper_doi               10.1107/S1600536804001709
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Fe2 (C28 H22 N2 O4) Cl2 ]'
_chemical_formula_moiety         '[Fe2 (C28 H22 N2 O4) Cl2 ]'
_chemical_formula_sum            'C28 H22 Cl2 Fe2 N2 O4'
_chemical_formula_weight         633.09
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.110(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.182(2)
_cell_length_b                   12.131(2)
_cell_length_c                   11.300(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      12.4
_cell_measurement_theta_min      10.1
_cell_volume                     1340.9(4)
_computing_cell_refinement       'MSC/AFC Diffractometer Control '
_computing_data_collection
'MSC/AFC Diffractometer Control (Molecular Structure Corporation, 1991)'
_computing_data_reduction
'CrystalStructure (Rigaku/MSC and Rigaku Corporation, 2003)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  CrystalStructure
_computing_structure_refinement  'CRYSTALS (Watkin et al., 1996)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_measured_fraction_theta_full 0.9988
_diffrn_measured_fraction_theta_max 0.9988
_diffrn_measurement_device_type  'Rigaku AFC5S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.041
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            3405
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        1.2
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.317
_exptl_absorpt_correction_T_max  0.768
_exptl_absorpt_correction_T_min  0.724
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    1.568
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             644.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.02
_refine_diff_density_min         -1.65
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.00
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     183
_refine_ls_number_reflns         3079
_refine_ls_R_factor_gt           0.040
_refine_ls_shift/su_max          <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = (1/[\s(Fo^2^) + 0.0006Fo^2^])/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.123
_reflns_number_gt                1809
_reflns_number_total             3081
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ya6192.cif
_cod_data_source_block           I
_cod_database_code               2203254
_cod_database_fobs_code          2203254