Reversible Photoelectronic Signal Conversion Based on Photoisomerization-Controlled Coordination Change of Azobenzene-bipyridine Ligands to Copper
Shoko Kume; Masaki Murata; Tomoji Ozeki; Hiroshi Nishihara; Journal of the American Chemical Society 127 (2005) 490–491; doi:10.1021/ja045093p

data_4111387
_publ_section_title
;
 Reversible Photoelectronic Signal Conversion Based on
 Photoisomerization-Controlled Coordination Change of
 Azobenzene-bipyridine Ligands to Copper
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              490
_journal_page_last               491
_journal_paper_doi               10.1021/ja045093p
_journal_volume                  127
_journal_year                    2005
_chemical_formula_sum            'C116.35 H112.7 B Cl0.7 Cu F4 N12 O2'
_chemical_formula_weight         1886.25
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 115.301(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.157(3)
_cell_length_b                   15.602(3)
_cell_length_c                   27.030(4)
_cell_measurement_reflns_used    5547
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      9.42
_cell_measurement_theta_min      1.21
_cell_volume                     9973(3)
_computing_cell_refinement       'Scalepack (Otwinowski & Minor, 1997)'
_computing_data_collection       'DIP Xpress (MAC Science, 1998)'
_computing_data_reduction        'DENZO (Otwinowski & Minor, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10
_diffrn_measured_fraction_theta_full 0.909
_diffrn_measured_fraction_theta_max 0.909
_diffrn_measurement_device_type  'MAC Science DIP LABO diffractometer'
_diffrn_measurement_method       'oscillation method with \w scans'
_diffrn_radiation_monochromator  Si(111)
_diffrn_radiation_source         'SPring-8 BL04B2 beamline'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.3282
_diffrn_reflns_av_R_equivalents  0.1135
_diffrn_reflns_av_sigmaI/netI    0.0718
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            34084
_diffrn_reflns_theta_full        9.42
_diffrn_reflns_theta_max         9.42
_diffrn_reflns_theta_min         1.21
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.054
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.256
_exptl_crystal_description       needle
_exptl_crystal_F_000             3971
_refine_diff_density_max         1.767
_refine_diff_density_min         -0.671
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1136
_refine_ls_number_reflns         9428
_refine_ls_number_restraints     1268
_refine_ls_restrained_S_all      0.989
_refine_ls_R_factor_all          0.1508
_refine_ls_R_factor_gt           0.1088
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1588P)^2^+73.4489P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2746
_refine_ls_wR_factor_ref         0.3132
_reflns_number_gt                6594
_reflns_number_total             9428
_reflns_threshold_expression     >\2s(I)
_cod_data_source_file            ja045093psi20040814_071624.cif
_cod_data_source_block           CuoAB
_cod_original_formula_sum        'C116.35 H112.70 B Cl0.70 Cu F4 N12 O2'
_cod_database_code               4111387