Triangular and Tetrahedral Array of Silver(I) Ions by a Novel Disk-Shaped Tridentate Ligand: Dynamic Control of Coordination Equilibrium of the Silver(I) Complexes
Shuichi Hiraoka; Tao Yi; Motoo Shiro; Mitsuhiko Shionoya; Journal of the American Chemical Society 124 (2002) 14510–14511; doi:10.1021/ja028659n

data_4115371
_publ_contact_author_address
;
    Department of Chemistry, Graduate School of Science
    The Umiversity of Tokyo
    Hongo, Tokyo 113-0033, Japan
;
_publ_contact_author_email       ' shionoya@chem.s.u-tokyo.ac.jp '
_publ_contact_author_fax         ' 81-3-5841-8061'
_publ_contact_author_name        ' Mitsuhiko Shionoya''
_publ_contact_author_phone       ' 81-3-5841-8061'
_publ_section_title
;
 Triangular and Tetrahedral Array of Silver(I) Ions by a Novel Disk-Shaped
 Tridentate Ligand: Dynamic Control of Coordination Equilibrium of the
 Silver(I) Complexes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14510
_journal_page_last               14511
_journal_paper_doi               10.1021/ja028659n
_journal_volume                  124
_journal_year                    2002
_chemical_formula_moiety
'C121 H99 Ag4 N24 O3 S 3+, 3(C H3 O3 S -1), 6(H2 O)'
_chemical_formula_sum            'C124 H120 Ag4 N24 O18 S4'
_chemical_formula_weight         2794.17
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_audit_creation_date             'Tue Oct 15 15:30:06 2002'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            24
_cell_length_a                   40.805(6)
_cell_length_b                   40.805(6)
_cell_length_c                   60.53(1)
_cell_measurement_reflns_used    112474
_cell_measurement_temperature    93.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     87283(2)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'teXsan (MSC & Rigaku, 1999)'
_computing_molecular_graphics    'ORTEP (Johnson, 1976)'
_computing_publication_material  'teXsan (MSC & Rigaku, 1999)'
_computing_structure_refinement  'teXsan (MSC & Rigaku, 1999)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9977
_diffrn_measured_fraction_theta_max 0.9977
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.038
_diffrn_reflns_limit_h_max       52
_diffrn_reflns_limit_h_min       -52
_diffrn_reflns_limit_k_max       52
_diffrn_reflns_limit_k_min       -52
_diffrn_reflns_limit_l_max       78
_diffrn_reflns_limit_l_min       -78
_diffrn_reflns_number            261952
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    0.651
_exptl_absorpt_correction_T_max  0.981
_exptl_absorpt_correction_T_min  0.870
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.276
_exptl_crystal_description       block
_exptl_crystal_F_000             34272.00
_exptl_crystal_size_max          0.070
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.030
_refine_diff_density_max         3.38
_refine_diff_density_min         -1.61
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_number_parameters     1634
_refine_ls_number_reflns         19914
_refine_ls_R_factor_gt           0.0887
_refine_ls_shift/su_max          0.0063
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00160|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1280
_reflns_number_gt                8519
_reflns_number_total             44400
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja028659n-5_s2.cif
_cod_data_source_block           General
_cod_original_cell_volume        87283(23)
_cod_original_sg_symbol_H-M      'R -3 '
_cod_original_formula_sum        'C124 H120 Ag4 N24 O18 S4 '
_cod_database_code               4115371