UV-Vis, NMR, and Time-Resolved Spectroscopy Analysis of Photoisomerization Behavior of Three- and Six-Azobenzene-Bound Tris(bipyridine)cobalt Complexes
Kyoko Yamaguchi; Shoko Kume; Kosuke Namiki; Masaki Murata; Naoto Tamai; Hiroshi Nishihara; Inorganic Chemistry 44 (2005) 9056–9067; doi:10.1021/ic0513538

data_4310121
_publ_section_title
;
UV-Vis, NMR, and Time-Resolved Spectroscopy Analysis of
Photoisomerization Behavior of Three- and Six-Azobenzene-Bound
Tris(bipyridine)cobalt Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9056
_journal_page_last               9067
_journal_paper_doi               10.1021/ic0513538
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C36 H28 N6 '
_chemical_formula_sum            'C36 H28 N6'
_chemical_formula_weight         544.64
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             2005-06-13T21:50:36-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 98.611(11)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.879(13)
_cell_length_b                   9.772(8)
_cell_length_c                   9.608(8)
_cell_measurement_reflns_used    2417
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      3.1582
_cell_volume                     1381(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0721
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            10721
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.16
_exptl_absorpt_coefficient_mu    0.08
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.31
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             572
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.279
_refine_diff_density_min         -0.209
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     191
_refine_ls_number_reflns         3156
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_gt           0.0634
_refine_ls_shift/su_max          0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0864P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1629
_reflns_number_gt                2169
_reflns_number_total             3156
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0513538si20050808_075253.cif
_cod_data_source_block           dmAB
_cod_original_cell_volume        1381.2(20)
_cod_database_code               4310121