Air-stable ambipolar organic transistors based on charge-transfer complexes containing dibenzopyrrolopyrrole
Fujisue, Chika; Kadoya, Tomofumi; Higashino, Toshiki; Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko; RSC Adv.  (2016) –; doi:10.1039/C6RA10606D

data_7225354
_publ_section_title
;
 Air-stable ambipolar organic transistors based on charge-transfer
 complexes containing dibenzopyrrolopyrrole
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C6RA10606D
_journal_year                    2016
_chemical_formula_moiety         'C28 H18 N6'
_chemical_formula_sum            'C28 H18 N6'
_chemical_formula_weight         438.49
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2016-02-29 deposited with the CCDC.
2016-05-27 downloaded from the CCDC.
;
_cell_angle_alpha                74.396(2)
_cell_angle_beta                 71.111(3)
_cell_angle_gamma                65.2771(17)
_cell_formula_units_Z            1
_cell_length_a                   7.0445(3)
_cell_length_b                   8.9964(4)
_cell_length_c                   9.7681(4)
_cell_measurement_reflns_used    3170
_cell_measurement_temperature    273
_cell_measurement_theta_max      67.93
_cell_measurement_theta_min      4.84
_cell_volume                     525.56(4)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_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      273
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_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  0.0723
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            6096
_diffrn_reflns_theta_full        68.22
_diffrn_reflns_theta_max         68.21
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.679
_exptl_absorpt_correction_T_max  0.987
_exptl_absorpt_correction_T_min  0.710
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            unknown
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       unknown
_exptl_crystal_F_000             228.00
_exptl_crystal_size_max          0.254
_exptl_crystal_size_mid          0.026
_exptl_crystal_size_min          0.019
_refine_diff_density_max         0.260
_refine_diff_density_min         -0.310
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     154
_refine_ls_number_reflns         1894
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0965
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2731
_reflns_number_gt                591
_reflns_number_total             1894
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c6ra10606d2.cif
_cod_data_source_block           added_by_encifer
_cod_original_cell_volume        525.57(4)
_cod_database_code               7225354