Photoconductivity of Porphyrin Nanochannels Composed of Diprotonated Porphyrin Dications with Saddle Distortion and Electron Donors
Nakanishi, Tatsuaki; Kojima, Takahiko; Ohkubo, Kei; Hasobe, Taku; Nakayama, Ken-ichi; Fukuzumi, Shunichi; Chemistry of Materials 20 (2008) 7492–; doi:10.1021/cm802460t

data_4001279
_publ_section_title
;
 Photoconductivity of Porphyrin Nanochannels Composed of Diprotonated
 Porphyrin Dications with Saddle Distortion and Electron Donors
;
_journal_issue                   24
_journal_name_full               'Chemistry of Materials'
_journal_page_first              7492
_journal_paper_doi               10.1021/cm802460t
_journal_volume                  20
_journal_year                    2008
_chemical_formula_moiety         'C99 H72 Cl2 N6 O2 S2 '
_chemical_formula_sum            'C99 H72 Cl2 N6 O2 S2'
_chemical_formula_weight         1512.72
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 108.493(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   17.4113(14)
_cell_length_b                   25.1250(17)
_cell_length_c                   19.4361(17)
_cell_measurement_reflns_used    5481
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.2
_cell_measurement_theta_min      3.1
_cell_volume                     8063.4(11)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.635
_diffrn_measured_fraction_theta_max 0.635
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.053
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            17481
_diffrn_reflns_theta_full        27.36
_diffrn_reflns_theta_max         27.36
_exptl_absorpt_coefficient_mu    0.188
_exptl_absorpt_correction_T_max  0.991
_exptl_absorpt_correction_T_min  0.947
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.246
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       pletelet
_exptl_crystal_F_000             3160.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.06
_refine_diff_density_min         -0.54
_refine_ls_extinction_coef       0.00043(16)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.290
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     502
_refine_ls_number_reflns         5807
_refine_ls_R_factor_gt           0.0904
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0500P)^2^+30.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2218
_reflns_number_gt                3179
_reflns_number_total             5807
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            cm802460t_si_001.cif
_cod_data_source_block           '___PNC-TTF_080307'
_cod_original_formula_sum        'C99 H72 Cl2 N6 O2 S2 '
_cod_database_code               4001279