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_4314012
_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 '
_chemical_formula_sum            'C11 H8 S7 Se2'
_chemical_formula_weight         522.52
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 96.36(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.34(1)
_cell_length_b                   28.08(3)
_cell_length_c                   5.193(5)
_cell_measurement_reflns_used    3368
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      26.6
_cell_measurement_theta_min      3.4
_cell_volume                     1643(3)
_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    DirectMethod
_diffrn_detector_area_resol_mean 10
_diffrn_measured_fraction_theta_full 0.7943
_diffrn_measured_fraction_theta_max 0.7943
_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  0.129
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            14957
_diffrn_reflns_theta_full        27.55
_diffrn_reflns_theta_max         27.55
_exptl_absorpt_coefficient_mu    5.373
_exptl_absorpt_correction_T_max  0.973
_exptl_absorpt_correction_T_min  0.730
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.111
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.005
_refine_diff_density_max         3.76
_refine_diff_density_min         -3.49
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.148
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     126
_refine_ls_number_reflns         3013
_refine_ls_R_factor_gt           0.1202
_refine_ls_shift/su_max          0.0012
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2334
_reflns_number_gt                862
_reflns_number_total             3013
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic030083v_1.cif
_cod_data_source_block           dsme
_cod_original_formula_sum        'C11 H8 S7 Se2 '
_cod_database_code               4314012