Bis[μ-1,2-bis(1<i>H</i>-imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]disilver(I) bis(4-amino-2,5-dichlorobenzenesulfonate) tetrahydrate
Liu, Hai-Yan; Chi, Yun-Chao; Wang, Guang-Hui; Acta Crystallographica Section E 64 (2008) m1071–; doi:10.1107/S1600536808023052

data_2218952
_publ_section_title
;Bis[\m-1,2-bis(1<i>H</i>-imidazol-1-ylmethyl)benzene-\k^2^<i>N</i>^3^:<i>N</i>^3'^]disilver(I)
 bis(4-amino-2,5-dichlorobenzenesulfonate) tetrahydrate
;
_journal_coeditor_code           CI2638
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1071
_journal_paper_doi               10.1107/S1600536808023052
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac
'[Ag2 (C14 H14 N4)2] (C6 H4 Cl2 N1 O3 S)2 , 4H2 O'
_chemical_formula_moiety
'C28 H28 Ag2 N8 2+ , 2C6 H4 Cl2 N O3 S - , 4H2 O'
_chemical_formula_sum            'C40 H44 Ag2 Cl4 N10 O10 S2'
_chemical_formula_weight         1246.51
_chemical_name_systematic
;
Bis[\m-1,2-bis(1<i>H</i>-imidazol-1-ylmethyl)benzene-
\k^2^<i>N</i>^3^:<i>N</i>^3'^]disilver(I)
bis(4-amino-2,5-dichlorobenzenesulfonate) tetrahydrate
;
_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           SHELXL97
_cell_angle_alpha                79.068(12)
_cell_angle_beta                 72.843(19)
_cell_angle_gamma                70.991(17)
_cell_formula_units_Z            2
_cell_length_a                   11.732(6)
_cell_length_b                   14.598(6)
_cell_length_c                   15.718(6)
_cell_measurement_reflns_used    10576
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     2418.8(19)
_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, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_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  0.0225
_diffrn_reflns_av_sigmaI/netI    0.0372
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            19762
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.03
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.183
_exptl_absorpt_correction_T_max  0.753
_exptl_absorpt_correction_T_min  0.716
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.712
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1256
_exptl_crystal_size_max          0.348
_exptl_crystal_size_mid          0.254
_exptl_crystal_size_min          0.236
_refine_diff_density_max         0.919
_refine_diff_density_min         -0.356
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.958
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     649
_refine_ls_number_reflns         10576
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      0.958
_refine_ls_R_factor_all          0.0743
_refine_ls_R_factor_gt           0.0438
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0975P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1255
_refine_ls_wR_factor_ref         0.1523
_reflns_number_gt                6897
_reflns_number_total             10576
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ci2638.cif
_cod_data_source_block           I
_cod_original_cell_volume        2418.8(18)
_cod_database_code               2218952
_cod_database_fobs_code          2218952