Weak ferromagnetism in a semiconducting (ethylenedithiodiselena- dithiafulvalenoquinone-1,3-diselenolemethide)2.FeBr4 salt.
Hayashi, Toshiki; Xiao, Xunwen; Fujiwara, Hideki; Sugimoto, Toyonari; Nakazumi, Hiroyuki; Noguchi, Satoru; Katori, Hiroko Aruga; Inorganic chemistry 46 (2007) 8478–8480; doi:10.1021/ic701260p

data_4339549
_publ_section_title
;
 Weak ferromagnetism in a semiconducting (ethylenedithiodiselena-
 dithiafulvalenoquinone-1,3-diselenolemethide)2.FeBr4 salt.
;
_journal_issue                   21
_journal_name_full               'Inorganic chemistry'
_journal_page_first              8478
_journal_page_last               8480
_journal_paper_doi               10.1021/ic701260p
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'C22 H12 Br4 Fe O2 S8 Se8 '
_chemical_formula_sum            'C22 H12 Br4 Fe O2 S8 Se8'
_chemical_formula_weight         1571.96
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.15(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.428(9)
_cell_length_b                   13.924(9)
_cell_length_c                   19.35(1)
_cell_measurement_reflns_used    27509
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     3826(4)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.5.1'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9969
_diffrn_measured_fraction_theta_max 0.9969
_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  0.108
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            75606
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    12.659
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.729
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2904.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.94
_refine_diff_density_min         -0.82
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     418
_refine_ls_number_reflns         5682
_refine_ls_R_factor_gt           0.0380
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    297.3590    400.3160    104.4500
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0530
_reflns_number_gt                5682
_reflns_number_total             8740
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic701260p-file005.cif
_cod_data_source_block           '_(EDT-DSDTFVODS)2FeBr4'
_cod_original_cell_volume        3825(4)
_cod_original_formula_sum        'C22 H12 Br4 Fe O2 S8 Se8 '
_cod_database_code               4339549