Ambipolar Transistor Properties of Metal Complexes Derived from 1,2-Phenylenediamines
Kitamori, Toshiki; Yoo, Dongho; Iijima, Kodai; Kawamoto, Tadashi; Mori, Takehiko; ACS Applied Electronic Materials 1 (2019) 1633–; doi:10.1021/acsaelm.9b00344

data_4516600
_publ_section_title
;
 Ambipolar Transistor Properties of Metal Complexes Derived from
 1,2-Phenylenediamines
;
_journal_issue                   8
_journal_name_full               'ACS Applied Electronic Materials'
_journal_page_first              1633
_journal_paper_doi               10.1021/acsaelm.9b00344
_journal_volume                  1
_journal_year                    2019
_chemical_formula_moiety         'C12 H8 F4 N4 Ni'
_chemical_formula_sum            'C12 H8 F4 N4 Ni'
_chemical_formula_weight         342.92
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                105.9655(12)
_cell_angle_beta                 93.5740(13)
_cell_angle_gamma                98.3156(12)
_cell_formula_units_Z            2
_cell_length_a                   6.41864(14)
_cell_length_b                   7.70588(17)
_cell_length_c                   12.5919(3)
_cell_measurement_reflns_used    2820
_cell_measurement_temperature    274
_cell_measurement_theta_max      70.33
_cell_measurement_theta_min      3.67
_cell_volume                     589.07(2)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.2.2'
_computing_publication_material  'CrystalStructure 4.2.2 (Rigaku, 2016)'
_computing_structure_refinement  'SHELXL Version 2016/6 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT Version 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      274
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.979
_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  0.0618
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6361
_diffrn_reflns_point_group_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        67.687
_diffrn_reflns_theta_max         68.098
_diffrn_reflns_theta_min         3.672
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.895
_exptl_absorpt_correction_T_max  0.917
_exptl_absorpt_correction_T_min  0.714
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.933
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             344.00
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.030
_refine_diff_density_max         0.67
_refine_diff_density_min         -0.63
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.164
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     193
_refine_ls_number_reflns         2108
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0790
_refine_ls_R_factor_gt           0.0506
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0633P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1158
_refine_ls_wR_factor_ref         0.1553
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1368
_reflns_number_total             2108
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            el9b00344_si_002.cif
_cod_data_source_block           4FNi
_cod_database_code               4516600
_shelx_res_checksum              5145
_shelx_hkl_checksum              49142