Air-stable n-channel organic field-effect transistors based on charge-transfer complexes including dimethoxybenzothienobenzothiophene and tetracyanoquinodimethane derivatives
Toshiki Higashino; Masaki Dogishi; Tomofumi Kadoya; Ryonosuke Sato; Tadashi Kawamoto; Takehiko Mori; Journal of Materials Chemistry C 4 (2016) 5981–5987; doi:10.1039/C6TC01532H

data_7234869
_publ_section_title
;
 Air-stable n-channel organic field-effect transistors based on
 charge-transfer complexes including dimethoxybenzothienobenzothiophene
 and tetracyanoquinodimethane derivatives
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              5981
_journal_page_last               5987
_journal_paper_doi               10.1039/C6TC01532H
_journal_volume                  4
_journal_year                    2016
_chemical_formula_moiety         'C28 H12 F4 N4 O2 S2'
_chemical_formula_sum            'C28 H12 F4 N4 O2 S2'
_chemical_formula_weight         576.54
_chemical_name_systematic        (DMeO-BTBT)(F4-TCNQ)
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                94.55(4)
_cell_angle_beta                 105.54(3)
_cell_angle_gamma                71.28(3)
_cell_formula_units_Z            1
_cell_length_a                   7.971(3)
_cell_length_b                   11.720(6)
_cell_length_c                   7.066(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      17.47
_cell_measurement_theta_min      15.21
_cell_volume                     602.3(5)
_computing_cell_refinement       WinAFC
_computing_data_collection       WinAFC
_computing_data_reduction        WinAFC
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'Il Milione (Burla, et al., 2007)'
_diffrn_ambient_temperature      298
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0598
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            4170
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_standards_decay_%        0.291
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.289
_exptl_absorpt_correction_T_max  0.944
_exptl_absorpt_correction_T_min  0.857
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.589
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             292.00
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.210
_refine_diff_density_min         -2.880
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.311
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     181
_refine_ls_number_reflns         3503
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0964
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.3494
_reflns_number_gt                2228
_reflns_number_total             3503
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            J-Mater-Chem-C-2016-4-5981.cif
_cod_data_source_block           DMeOBTBT-F4TCNQ
_cod_original_cell_volume        602.4(5)
_cod_database_code               7234869