Electrical Conducting and Magnetic Properties of (Ethylenedithiotetrathiafulvalenothioquinone-1,3-diselenolemethide)2 .FeBr4(GaBr4) Crystals with Two Different Interlayer Arrangements of Donor Molecules
Takuya Matsumoto; Yohsuke Kamada; Toyonari Sugimoto; Toshiji Tada; Satoru Noguchi; Hiroyuki Nakazumi; Motoo Shiro; Harukazu Yoshino; Keizo Murata; Inorganic Chemistry 42 (2003) 5192–5201; doi:10.1021/ic030083v

data_4314013
_publ_contact_author_email       toyonari@iwate.riast.osakafu-u.ac.jp
_publ_contact_author_fax         0722-52-4175
_publ_contact_author_name        'T, Matsumoto'
_publ_contact_author_phone       0722-52-4175
_publ_section_title
;
 Electrical Conducting and Magnetic Properties of
 (Ethylenedithiotetrathiafulvalenothioquinone-1,3-diselenolemethide)2
 .FeBr4(GaBr4) Crystals with Two Different Interlayer Arrangements of
 Donor Molecules
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5192
_journal_page_last               5201
_journal_paper_doi               10.1021/ic030083v
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         'C11 H8 S7 Se2 1+, Br4 Fe1 1-'
_chemical_formula_sum            'C11 H8 Br4 Fe S7 Se2'
_chemical_formula_weight         897.99
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                69.300(9)
_cell_angle_beta                 75.958(3)
_cell_angle_gamma                83.227(7)
_cell_formula_units_Z            2
_cell_length_a                   8.721(2)
_cell_length_b                   10.422(2)
_cell_length_c                   14.181(2)
_cell_measurement_reflns_used    7166
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.1
_cell_volume                     1168.9(4)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.9817
_diffrn_measured_fraction_theta_max 0.9817
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.042
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10541
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    11.239
_exptl_absorpt_correction_T_max  0.570
_exptl_absorpt_correction_T_min  0.261
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.551
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_refine_diff_density_max         2.90
_refine_diff_density_min         -1.26
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.338
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     198
_refine_ls_number_reflns         2298
_refine_ls_R_factor_gt           0.0694
_refine_ls_shift/su_max          0.0002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.09000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1685
_reflns_number_gt                2298
_reflns_number_total             5262
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            ic030083v_2.cif
_cod_data_source_block           SMeSeFeBr4
_cod_original_cell_volume        1168.8(3)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C11 H8 Br4 Fe S7 Se2 '
_cod_database_code               4314013