Bis[μ-1,2-bis(1<i>H</i>-imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>:<i>N</i>']disilver(I) bis(4-aminobenzenesulfonate) hexahydrate
Hai-Yan Liu; Hong-Mei Sun; Jian-Fang Ma; Acta Crystallographica Section E 63 (2007) m3109–m3109; doi:10.1107/S1600536807059764

data_2216466
_publ_section_title
;Bis[\m-1,2-bis(1<i>H</i>-imidazol-1-ylmethyl)benzene-\k^2^<i>N</i>:<i>N</i>']disilver(I)
 bis(4-aminobenzenesulfonate) hexahydrate
;
_journal_coeditor_code           GW2032
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3109
_journal_page_last               m3109
_journal_paper_doi               10.1107/S1600536807059764
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ag2 (C14 H14 N4)2] (C6 H6 N O3 S)2, 6H2 O'
_chemical_formula_moiety         'C28 H28 Ag2 N8, 2(C6 H6 N O3 S), 6(H2 O)'
_chemical_formula_sum            'C40 H52 Ag2 N10 O12 S2'
_chemical_formula_weight         1144.78
_chemical_name_systematic
;
Bis[\m-1,2-bis(1<i>H</i>-imidazol-1-ylmethyl)benzene-
\k^2^<i>N</i>,<i>N</i>']disilver(I)] bis(4-aminobenzenesulfonate) hexahydrate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 104.76(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.842(3)
_cell_length_b                   16.283(3)
_cell_length_c                   19.527(4)
_cell_measurement_reflns_used    5221
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     4563.4(17)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'PROCESS-AUTO (Rigaku, 1998)'
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 1990)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0332
_diffrn_reflns_av_sigmaI/netI    0.0279
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            22007
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.10
_exptl_absorpt_coefficient_mu    1.022
_exptl_absorpt_correction_T_max  0.811
_exptl_absorpt_correction_T_min  0.698
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(ABSCOR; Higashi, 1995)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.666
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2336
_exptl_crystal_size_max          0.274
_exptl_crystal_size_mid          0.256
_exptl_crystal_size_min          0.188
_refine_diff_density_max         0.906
_refine_diff_density_min         -0.491
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     324
_refine_ls_number_reflns         5221
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0357
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0469P)^2^+5.1924P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0861
_refine_ls_wR_factor_ref         0.0906
_reflns_number_gt                4333
_reflns_number_total             5221
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gw2032.cif
_cod_data_source_block           I
_cod_original_cell_volume        4563.6(16)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2216466
_cod_database_fobs_code          2216466