Perylenediimide nanowires and their use in fabricating field-effect transistors and complementary inverters.
Briseno, Alejandro L.; Mannsfeld, Stefan C. B.; Reese, Colin; Hancock, Jessica M.; Xiong, Yujie; Jenekhe, Samson A.; Bao, Zhenan; Xia, Younan; Nano letters 7 (2007) 2847–2853; doi:10.1021/nl071495u

data_1505215
_publ_section_title
;
 Perylenediimide nanowires and their use in fabricating field-effect
 transistors and complementary inverters.
;
_journal_issue                   9
_journal_name_full               'Nano letters'
_journal_page_first              2847
_journal_page_last               2853
_journal_paper_doi               10.1021/nl071495u
_journal_volume                  7
_journal_year                    2007
_chemical_formula_moiety         'C40 H42 N2 O4'
_chemical_formula_sum            'C40 H42 N2 O4'
_chemical_formula_weight         614.76
_chemical_name_common            Alexf002
_chemical_name_systematic        Alex002
_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_creation_method           SHELXL-97
_cell_angle_alpha                85.993(9)
_cell_angle_beta                 88.432(8)
_cell_angle_gamma                82.788(13)
_cell_formula_units_Z            1
_cell_length_a                   4.6757(9)
_cell_length_b                   8.5020(16)
_cell_length_c                   19.718(5)
_cell_measurement_reflns_used    151
_cell_measurement_temperature    130(2)
_cell_volume                     775.6(3)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       KappaCCD
_computing_data_reduction        'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'maXus, Zortep'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      130(2)
_diffrn_measured_fraction_theta_full 0.884
_diffrn_measured_fraction_theta_max 0.813
_diffrn_measurement_device_type  'Nonius KappaCCD'
_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  0.1651
_diffrn_reflns_av_sigmaI/netI    0.2997
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            3838
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         2.07
_exptl_absorpt_coefficient_mu    0.085
_exptl_absorpt_correction_T_max  0.9941
_exptl_absorpt_correction_T_min  0.9518
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   HKL2000
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.316
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             328
_exptl_crystal_size_max          0.59
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.013
_refine_diff_density_min         -0.007
_refine_diff_density_rms         0.002
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.930
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     211
_refine_ls_number_reflns         2497
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.930
_refine_ls_R_factor_all          0.3145
_refine_ls_R_factor_gt           0.0910
_refine_ls_shift/su_max          0.040
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0300P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1549
_refine_ls_wR_factor_ref         0.2247
_reflns_number_gt                604
_reflns_number_total             2497
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            nl071495usi20070622_090901.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               1505215