Supramolecular insulating networks sheathing conducting nanowires based on organic radical cations.
Yamamoto, Hiroshi M.; Kosaka, Yosuke; Maeda, Ryoko; Yamaura, Jun-ichi; Nakao, Akiko; Nakamura, Toshikazu; Kato, Reizo; ACS nano 2 (2008) 143–155; doi:10.1021/nn700035t

data_4503881
_publ_section_title
;
 Supramolecular insulating networks sheathing conducting nanowires based
 on organic radical cations.
;
_journal_issue                   1
_journal_name_full               'ACS nano'
_journal_page_first              143
_journal_page_last               155
_journal_paper_doi               10.1021/nn700035t
_journal_volume                  2
_journal_year                    2008
_chemical_formula_moiety         '8(C4 H3 S3), 10(C I2), 2(I), Br'
_chemical_formula_sum            'C42 H24 Br I22 S24'
_chemical_formula_weight         4169.89
_space_group_IT_number           127
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      127
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   23.435(10)
_cell_length_b                   23.435(10)
_cell_length_c                   8.130(3)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    293
_cell_measurement_theta_max      17.8
_cell_measurement_theta_min      11.6
_cell_volume                     4465(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 2.0'
_computing_publication_material  'teXsan Ver. 2.0'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 1.00
_diffrn_measurement_device_type  'Rigaku AFC6S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.000
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3754
_diffrn_reflns_theta_full        30
_diffrn_reflns_theta_max         30.06
_diffrn_reflns_theta_min         3.0
_diffrn_standards_decay_%        1.35
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    8.664
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.861
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    3.101
_exptl_crystal_density_meas      3.11(1)
_exptl_crystal_density_method    'floating method'
_exptl_crystal_description       block
_exptl_crystal_F_000             3722.00
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.300
_refine_diff_density_max         4.90
_refine_diff_density_min         -3.27
_refine_ls_extinction_coef       0.0002
_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   1.65
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     159
_refine_ls_number_reflns         3598
_refine_ls_R_factor_gt           0.088
_refine_ls_shift/su_max          -0.083
_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         0.295
_reflns_number_gt                2193
_reflns_number_total             3754
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            nn700035t-file021.cif
_cod_data_source_block           HY-226_EDT-TTF/Br/DIA/TIE_
_cod_original_sg_symbol_H-M      'P 4/m b m    '
_cod_original_formula_sum        'C42 H24 Br I22 S24 '
_cod_database_code               4503881