Structure of Silver(I) Complex Prepared from Azobenzenonaphthalenophane, Photochemical Coordination Change of Silver(I) and Silver(I)-Induced Acceleration of Z-E Thermal Isomerization of Azobenzene Unit
Yoshimi Oka; Nobuyuki Tamaoki; Inorganic Chemistry 49 (2010) 4765–4767; doi:10.1021/ic100317p

data_4315640
_publ_contact_author             'Nobuyuki Tamaoki'
_publ_contact_author_email       tamaoki@es.hokudai.ac.jp
_publ_section_title
;
 Structure of Silver(I) Complex Prepared from Azobenzenonaphthalenophane,
 Photochemical Coordination Change of Silver(I) and Silver(I)-Induced
 Acceleration of Z-E Thermal Isomerization of Azobenzene Unit
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4765
_journal_page_last               4767
_journal_paper_doi               10.1021/ic100317p
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C28 H26 N2 O4'
_chemical_formula_weight         454.51
_chemical_name_common            E-[5.5](4,4')azobenzeno(1,5)naphthalenophane
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                112.959(2)
_cell_angle_beta                 107.749(2)
_cell_angle_gamma                103.7260(10)
_cell_formula_units_Z            4
_cell_length_a                   13.8977(10)
_cell_length_b                   14.1796(10)
_cell_length_c                   14.6044(18)
_cell_measurement_reflns_used    5269
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      27.926
_cell_measurement_theta_min      2.433
_cell_volume                     2306.3(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      183(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.869
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating unit'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0158
_diffrn_reflns_av_sigmaI/netI    0.0321
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14165
_diffrn_reflns_theta_full        26.22
_diffrn_reflns_theta_max         28.42
_diffrn_reflns_theta_min         1.68
_diffrn_standards_decay_%        0.0
_diffrn_standards_interval_time  619
_diffrn_standards_number         61
_exptl_absorpt_coefficient_mu    0.088
_exptl_absorpt_correction_T_max  0.9982
_exptl_absorpt_correction_T_min  0.9699
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.309
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             960
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.791
_refine_diff_density_min         -0.291
_refine_diff_density_rms         0.046
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     613
_refine_ls_number_reflns         10090
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0726
_refine_ls_R_factor_gt           0.0525
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0977P)^2^+0.4187P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1486
_refine_ls_wR_factor_ref         0.1653
_reflns_number_gt                7454
_reflns_number_total             10090
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic100317p_si_002_2.cif
_cod_data_source_block           E-[5.5](4,4')azobenzeno(1,5)naphthalenophane
_cod_database_code               4315640