Structure and Magnetic Properties of the Two-Dimensional Ferrimagnet (NEt4)[{Mn(salen)}2Fe(CN)6]: Investigation of Magnetic Anisotropy on a Single Crystal
Hitoshi Miyasaka; Hidenori Ieda; Naohide Matsumoto; Ken-ichi Sugiura; Masahiro Yamashita; Inorganic Chemistry 42 (2003) 3509–3515; doi:10.1021/ic026261m

data_4313697
_publ_section_title
;
 Structure and Magnetic Properties of the Two-Dimensional Ferrimagnet
 (NEt4)[{Mn(salen)}2Fe(CN)6]: Investigation of Magnetic Anisotropy on a
 Single Crystal
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3509
_journal_page_last               3515
_journal_paper_doi               10.1021/ic026261m
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         'C46 H48 Fe N11 Mn2 O4 '
_chemical_formula_sum            'C46 H48 Fe Mn2 N11 O4'
_chemical_formula_weight         984.68
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.971(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.3660(8)
_cell_length_b                   15.311(1)
_cell_length_c                   12.918(1)
_cell_measurement_reflns_used    13930
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      24.4
_cell_measurement_theta_min      2.2
_cell_volume                     2283.8(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 2.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9821
_diffrn_measured_fraction_theta_max 0.9821
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.067
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            22076
_diffrn_reflns_theta_full        27.36
_diffrn_reflns_theta_max         27.36
_exptl_absorpt_coefficient_mu    0.913
_exptl_absorpt_correction_T_max  0.789
_exptl_absorpt_correction_T_min  0.172
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.432
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1018.00
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.26
_refine_diff_density_max         3.34
_refine_diff_density_min         -1.23
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.137
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     324
_refine_ls_number_reflns         4087
_refine_ls_R_factor_gt           0.0580
_refine_ls_shift/su_max          0.0030
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.005Fo^2^ + 1.000\s^2^(Fo)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1700
_reflns_number_gt                4087
_reflns_number_total             5266
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic026261msi20030403_035556.cif
_cod_data_source_block           '_(NEt4)Mn2(salen)2Fe(CN)6_'
_cod_original_formula_sum        'C46 H48 Fe N11 Mn2 O4 '
_cod_database_code               4313697