Dual-mode electrochromism switched by proton transfer: dynamic redox properties of bis(diarylmethylenium)-type dyes
Suzuki, Takanori; Higuchi, Hiroki; Ohkita, Masakazu; Tsuji, Takashi; Chemical Communications  (2001) 1574–; doi:10.1039/b104742f

data_7115050
_publ_section_title
;
 Dual-mode electrochromism switched by proton transfer: dynamic redox
 properties of bis(diarylmethylenium)-type dyes
;
_journal_issue                   17
_journal_name_full               'Chemical Communications'
_journal_page_first              1574
_journal_paper_doi               10.1039/b104742f
_journal_year                    2001
_chemical_formula_sum            'C48 H50 I6 N4'
_chemical_formula_weight         1444.38
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Thu Mar 15 17:16:11 2001'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 107.5794(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.6884(8)
_cell_length_b                   23.432(1)
_cell_length_c                   22.8948(4)
_cell_measurement_temperature    97.2
_cell_volume                     4954.8(5)
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9568
_diffrn_measured_fraction_theta_max 0.9568
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.027
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            26529
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_exptl_absorpt_coefficient_mu    3.799
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.936
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.90
_refine_diff_density_min         -0.91
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    noref
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_refine_ls_number_reflns         7707
_refine_ls_R_factor_gt           0.0263
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00063|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0430
_reflns_number_gt                7707
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_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            b104742f.txt
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_cod_original_formula_sum        'C48 H50 I6 N4 '
_cod_database_code               7115050