Construction of Metal Sandwich Systems Derived from Assembly of Silver(I) Complexes with Polycyclic Aromatic Compounds
Munakata, Megumu; Wu, Liang Ping; Ning, Gui Ling; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Suenaga, Yusaku; Maeno, Naoto; Journal of the American Chemical Society 121 (1999) 4968–4976; doi:10.1021/ja983950h

data_4116403
_publ_section_title
;
 Construction of Metal Sandwich Systems Derived from Assembly of Silver(I)
 Complexes with Polycyclic Aromatic Compounds
;
_journal_coden_ASTM              JACSAT
_journal_issue                   21
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4968
_journal_page_last               4976
_journal_paper_doi               10.1021/ja983950h
_journal_volume                  121
_journal_year                    1999
_chemical_formula_sum            'C42 H24 Ag2 Cl2 O8'
_chemical_formula_weight         943.29
_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             'Wed Mar 10 18:47:52 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 92.46(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.290(4)
_cell_length_b                   31.599(5)
_cell_length_c                   7.774(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      12.4
_cell_measurement_theta_min      10.3
_cell_volume                     3261.7(17)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SIR88
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.06785
_diffrn_orient_matrix_UB_12      0.01241
_diffrn_orient_matrix_UB_13      -0.01901
_diffrn_orient_matrix_UB_21      -0.02843
_diffrn_orient_matrix_UB_22      0.02910
_diffrn_orient_matrix_UB_23      0.01204
_diffrn_orient_matrix_UB_31      0.01616
_diffrn_orient_matrix_UB_32      -0.00090
_diffrn_orient_matrix_UB_33      0.12677
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.043
_diffrn_reflns_av_sigmaI/netI    0.135
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            8025
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.00
_diffrn_standards_decay_%        1.04
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.423
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.921
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1872.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.33
_refine_diff_density_min         -0.99
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.728
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     487
_refine_ls_number_reflns         3794
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0561
_refine_ls_R_factor_gt           0.0561
_refine_ls_shift/su_max          0.0010
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0644
_refine_ls_wR_factor_ref         0.0644
_reflns_number_gt                3794
_reflns_number_total             7483
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ja983950h_6.cif
_cod_data_source_block           '[Ag2(decacyclene)(ClO4)2(benzene)](4)'
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-09
;
_cod_original_cell_volume        3261(1)
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_original_formula_sum        'C42 H24 Ag2 Cl2 O8 '
_cod_database_code               4116403