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_4315639
_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            'C58 H52 Ag2 F6 N4 O14 S2'
_chemical_formula_weight         1422.9
_chemical_name_common            Ag2(C26H22N2O4)2(CF3SO3)2
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/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                 102.8400(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.8738(6)
_cell_length_b                   15.4767(7)
_cell_length_c                   14.3078(7)
_cell_measurement_reflns_used    9760
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      28.117
_cell_measurement_theta_min      2.333
_cell_volume                     2779.5(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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 0.984
_diffrn_measured_fraction_theta_max 0.923
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0170
_diffrn_reflns_av_sigmaI/netI    0.0201
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16727
_diffrn_reflns_theta_full        27.18
_diffrn_reflns_theta_max         28.23
_diffrn_reflns_theta_min         1.93
_diffrn_standards_decay_%        0.0
_diffrn_standards_interval_time  895
_diffrn_standards_number         191
_exptl_absorpt_coefficient_mu    0.873
_exptl_absorpt_correction_T_max  0.9828
_exptl_absorpt_correction_T_min  0.8114
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.700
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             1440
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.573
_refine_diff_density_min         -0.515
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         6334
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0332
_refine_ls_R_factor_gt           0.0281
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0398P)^2^+1.6163P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0737
_refine_ls_wR_factor_ref         0.0769
_reflns_number_gt                5586
_reflns_number_total             6334
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic100317p_si_002_1.cif
_cod_data_source_block           Ag2(C26H22N2O4)2(CF3SO3)2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
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_cod_database_code               4315639