Electrical Properties of New Organic Conductor (BEST)2InBr4[BEST = Bis(ethylenediseleno)tetrathiafulvalene] up to 10.8 GPa and Antiferromagnetic Transition of (BEST)2FeBr4
Hengbo Cui; James Brooks; David Graf; Yoshinori Okano; Haoling Sun; Hayao Kobayashi; Inorganic Chemistry 48 (2009) 4268–4270; doi:10.1021/ic900220g

data_4302133
_publ_contact_author_address
; Dept. of Physics/NHMFL 
 1800 East Paul Dirac Drive 
 Florida State University 
 Tallahassee Florida 32310  USA 
;
_publ_contact_author_email       brooks@magnet.fsu.edu
_publ_contact_author_fax         1-850-644-5038
_publ_contact_author_name        'James Brooks'
_publ_contact_author_phone       1-850-644-2836
_publ_section_title
;
Electrical Properties of New Organic Conductor (BEST)2InBr4[BEST =
Bis(ethylenediseleno)tetrathiafulvalene] up to 10.8 GPa and
Antiferromagnetic Transition of (BEST)2FeBr4
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4268
_journal_page_last               4270
_journal_paper_doi               10.1021/ic900220g
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C20 H16 Br4 In S8 Se8 '
_chemical_formula_sum            'C20 H16 Br4 In S8 Se8'
_chemical_formula_weight         1578.94
_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'
_audit_creation_date             2004-04-27
_audit_creation_method           'by CrystalStructure v3.5.1'
_cell_angle_alpha                90.154(3)
_cell_angle_beta                 90.453(3)
_cell_angle_gamma                95.206(3)
_cell_formula_units_Z            2
_cell_length_a                   6.7255(10)
_cell_length_b                   8.3619(13)
_cell_length_c                   33.554(5)
_cell_measurement_reflns_used    6517
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1879.2(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.5.1'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.9276
_diffrn_measured_fraction_theta_max 0.9276
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.049
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            35288
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_exptl_absorpt_coefficient_mu    13.105
_exptl_absorpt_correction_T_max  0.675
_exptl_absorpt_correction_T_min  0.486
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.790
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1450.00
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.24
_refine_diff_density_min         -0.88
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.383
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     386
_refine_ls_number_reflns         3329
_refine_ls_R_factor_gt           0.0410
_refine_ls_shift/su_max          0.0050
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(Fo)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0330
_reflns_number_gt                3329
_reflns_number_total             8035
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic900220g_si_001.cif
_cod_data_source_block           '__(BEST)2InBr4'
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C20 H16 Br4 In S8 Se8 '
_cod_database_code               4302133