Enhanced electron mobility in crystalline thionated naphthalene diimides
Lisa M. Kozycz; Chang Guo; Joseph G. Manion; Andrew J. Tilley; Alan J. Lough; Yuning Li; Dwight S. Seferos; Journal of Materials Chemistry C 3 (2015) 11505–11515; doi:10.1039/C5TC02753E

data_7234504
_publ_section_title
;
 Enhanced electron mobility in crystalline thionated naphthalene diimides
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              11505
_journal_page_last               11515
_journal_paper_doi               10.1039/C5TC02753E
_journal_volume                  3
_journal_year                    2015
_chemical_formula_moiety         'C38 H54 N2 O4'
_chemical_formula_sum            'C38 H54 N2 O4'
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_atom_sites_solution_hydrogens   geom
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_cell_angle_beta                 94.603(2)
_cell_angle_gamma                104.495(2)
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_cell_length_b                   6.6073(2)
_cell_length_c                   27.9285(9)
_cell_measurement_reflns_used    9910
_cell_measurement_temperature    147(2)
_cell_measurement_theta_max      66.80
_cell_measurement_theta_min      3.18
_cell_volume                     823.12(5)
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_computing_data_collection       'APEX2 (Bruker, 2007)'
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_diffrn_ambient_temperature      147(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker Kappa APEX-DUO CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_limit_h_max       5
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_diffrn_reflns_point_group_measured_fraction_full 0.980
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_diffrn_source                   'Bruker ImuS with multi-layer optics'
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_exptl_absorpt_correction_T_max  0.7529
_exptl_absorpt_correction_T_min  0.6574
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.216
_exptl_crystal_description       plate
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_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.0535
_refine_ls_R_factor_gt           0.0461
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0451P)^2^+0.4910P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_shelx_estimated_absorpt_t_min   0.893
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