Temperature-dependent characteristics of n-channel transistors based on 5,5′-bithiazolidinylidene-2,4,2′,4′-tetrathiones
Ryo, Suho; Yoo, Dongho; Iijima, Kodai; Sato, Ryonosuke; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko; New Journal of Chemistry 43 (2019) 11865–; doi:10.1039/C9NJ02731A

data_7058546
_publ_section_title
;
 Temperature-dependent characteristics of n-channel transistors based on
 5,5&#x2032;-bithiazolidinylidene-2,4,2&#x2032;,4&#x2032;-tetrathiones
;
_journal_issue                   30
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              11865
_journal_paper_doi               10.1039/C9NJ02731A
_journal_volume                  43
_journal_year                    2019
_chemical_formula_moiety         'C16 H22 N2 S6'
_chemical_formula_sum            'C16 H22 N2 S6'
_chemical_formula_weight         434.72
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2019-04-29 deposited with the CCDC.    2019-06-27 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 91.3390(14)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   13.9523(4)
_cell_length_b                   5.01793(14)
_cell_length_c                   14.7127(3)
_cell_measurement_reflns_used    1546
_cell_measurement_temperature    171
_cell_measurement_theta_max      68.14
_cell_measurement_theta_min      3.17
_cell_volume                     1029.78(5)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.3'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2018)'
_computing_structure_refinement  'SHELXL Version 2018/1 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT Version 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      171
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.0706
_diffrn_reflns_av_unetI/netI     0.0583
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10930
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.687
_diffrn_reflns_theta_max         68.187
_diffrn_reflns_theta_min         3.168
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.137
_exptl_absorpt_correction_T_max  0.832
_exptl_absorpt_correction_T_min  0.630
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.402
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             456.00
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.030
_refine_diff_density_max         0.45
_refine_diff_density_min         -0.32
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     109
_refine_ls_number_reflns         1870
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0571
_refine_ls_R_factor_gt           0.0471
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0502P)^2^+0.6155P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1121
_refine_ls_wR_factor_ref         0.1248
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1527
_reflns_number_total             1870
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c9nj02731a2.cif
_cod_data_source_block           20181226
_cod_depositor_comments
'Adding full bibliography for 7058546--7058547.cif.'
_cod_original_cell_volume        1029.78(4)
_cod_database_code               7058546
_shelx_res_checksum              31799