High and Balanced Hole and Electron Mobilities from Ambipolar Thin-Film Transistors Based on Nitrogen-Containing Oligoacences
Yi-Yang Liu; Cheng-Li Song; Wei-Jing Zeng; Kai-Ge Zhou; Zi-Fa Shi; Chong-Bo Ma; Feng Yang; Hao-Li Zhang; Xiong Gong; Journal of the American Chemical Society 132 (2010) 16349–16351; doi:10.1021/ja107046s

data_4103545
_publ_section_title
;
 High and Balanced Hole and Electron Mobilities from Ambipolar Thin-Film
 Transistors Based on Nitrogen-Containing Oligoacences
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16349
_journal_page_last               16351
_journal_paper_doi               10.1021/ja107046s
_journal_volume                  132
_journal_year                    2010
_chemical_formula_sum            'C43 H49 F4 N Si2'
_chemical_formula_weight         712.01
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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_creation_method           SHELXL-97
_cell_angle_alpha                77.434(5)
_cell_angle_beta                 88.437(5)
_cell_angle_gamma                84.073(5)
_cell_formula_units_Z            1
_cell_length_a                   7.6749(9)
_cell_length_b                   7.8320(10)
_cell_length_c                   17.134(2)
_cell_measurement_reflns_used    623
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      21.03
_cell_measurement_theta_min      2.67
_cell_volume                     999.9(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_av_sigmaI/netI    0.0634
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5522
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.22
_exptl_absorpt_coefficient_mu    0.137
_exptl_absorpt_correction_T_max  0.9731
_exptl_absorpt_correction_T_min  0.9665
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.182
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bolck
_exptl_crystal_F_000             378
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.474
_refine_diff_density_min         -0.435
_refine_diff_density_rms         0.148
_refine_ls_extinction_coef       0.094(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.194
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     248
_refine_ls_number_reflns         3691
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.212
_refine_ls_R_factor_all          0.1772
_refine_ls_R_factor_gt           0.0964
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.1528P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2181
_refine_ls_wR_factor_ref         0.2661
_reflns_number_gt                1701
_reflns_number_total             3691
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja107046s_si_003.cif
_cod_data_source_block           p-1
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               4103545