Bis[bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)silver(I)] naphthalene-1,5-disulfonate
Liu, Ping; Deng, Dong-Sheng; Acta Crystallographica Section E 64 (2008) m556–; doi:10.1107/S1600536808006855

data_2217991
_publ_section_title
;
 Bis[bis(1<i>H</i>-imidazole-\k<i>N</i>^3^)silver(I)]
 naphthalene-1,5-disulfonate
;
_journal_coeditor_code           RK2068
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m556
_journal_paper_doi               10.1107/S1600536808006855
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Ag (C3 H4 N2)2] (C10 H6 O6 S2)'
_chemical_formula_moiety         '2(C6 H8 Ag N4 +), C10 H6 O6 S2 2-'
_chemical_formula_sum            'C22 H22 Ag2 N8 O6 S2'
_chemical_formula_weight         774.36
_chemical_name_systematic
;
Bis[bis(1H-imidazole-\kN^3^)silver(I)] naphthalene-1,5-disulfonate
;
_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                65.286(2)
_cell_angle_beta                 76.311(2)
_cell_angle_gamma                66.791(2)
_cell_formula_units_Z            1
_cell_length_a                   8.6491(11)
_cell_length_b                   9.0196(12)
_cell_length_c                   10.2620(13)
_cell_measurement_reflns_used    2962
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      2.19
_cell_volume                     665.89(15)
_computing_cell_refinement       'SMART (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Bruker Smart 1000 CCD diffractometer'
_diffrn_measurement_method       '\f-- and \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  0.0102
_diffrn_reflns_av_sigmaI/netI    0.0265
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            4267
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.19
_exptl_absorpt_coefficient_mu    1.682
_exptl_absorpt_correction_T_max  0.8110
_exptl_absorpt_correction_T_min  0.4867
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.931
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             384
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.704
_refine_diff_density_min         -0.671
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.926
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     181
_refine_ls_number_reflns         2962
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.926
_refine_ls_R_factor_all          0.0324
_refine_ls_R_factor_gt           0.0259
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0388P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0617
_refine_ls_wR_factor_ref         0.0629
_reflns_number_gt                2417
_reflns_number_total             2962
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            rk2068.cif
_cod_data_source_block           I
_cod_database_code               2217991
_cod_database_fobs_code          2217991