Poly[[diaquabis(μ~3~-3-carboxylato-4-hydroxybenzenesulfonato)tri-μ~2~-pyrazine-tetrasilver(I)] dihydrate]
Liu, Ying-Ying; Wang, Shen-Tang; Yan, Yong-Sheng; Acta Crystallographica Section E 67 (2011) m1545–; doi:10.1107/S1600536811041626

data_2232338
_publ_section_title
;
 Poly[[diaquabis(\m~3~-3-carboxylato-4-hydroxybenzenesulfonato)tri-\m~2~-pyrazine-tetrasilver(I)]
 dihydrate]
;
_journal_coeditor_code           HY2474
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1545
_journal_paper_doi               10.1107/S1600536811041626
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac
'[Ag4 (C7 H4 O6 S)2 (C4 H4 N2)3 (H2 O)2], 2H2 O'
_chemical_formula_moiety         'C26 H24 Ag4 N6 O14 S2, 2(H2 O)'
_chemical_formula_sum            'C26 H28 Ag4 N6 O16 S2'
_chemical_formula_weight         1176.14
_chemical_name_systematic
;
Poly[[diaquabis(\m~3~-3-carboxylato-4-hydroxybenzenesulfonato)tri-\m~2~-
pyrazine-tetrasilver(I)] dihydrate]
;
_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           SHELXL-97
_cell_angle_alpha                78.751(3)
_cell_angle_beta                 73.436(4)
_cell_angle_gamma                82.882(5)
_cell_formula_units_Z            1
_cell_length_a                   7.646(5)
_cell_length_b                   10.340(4)
_cell_length_c                   11.375(4)
_cell_measurement_reflns_used    2192
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     843.2(7)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics
'XP in SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 1999)'
_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 0.948
_diffrn_measured_fraction_theta_max 0.873
_diffrn_measurement_device_type  'Bruker APEX CCD'
_diffrn_measurement_method       '\f and \w'
_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  0.0578
_diffrn_reflns_av_sigmaI/netI    0.0821
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            7253
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         3.24
_exptl_absorpt_coefficient_mu    2.497
_exptl_absorpt_correction_T_max  0.7537
_exptl_absorpt_correction_T_min  0.6221
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.316
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             574
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.700
_refine_diff_density_min         -1.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.880
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     256
_refine_ls_number_reflns         3387
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      0.880
_refine_ls_R_factor_all          0.0563
_refine_ls_R_factor_gt           0.0329
_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^)+(0.0213P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0649
_refine_ls_wR_factor_ref         0.0725
_reflns_number_gt                2190
_reflns_number_total             3387
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2474.cif
_cod_data_source_block           I
_cod_database_code               2232338
_cod_database_fobs_code          2232338