<i>catena</i>-Poly[[[aquasilver(I)]-μ-2,3-dimethylpyrazine-κ^2^<i>N</i>:<i>N</i>'] 4-amino-2,5-dichlorobenzenesulfonate]
Hai-Yan Liu; Ji-Cheng Ma; Jin Yang; Acta Crystallographica Section E 63 (2007) m2734–m2735; doi:10.1107/S160053680704977X

data_2216049
_publ_section_title
;<i>catena</i>-Poly[[[aquasilver(I)]-\m-2,3-dimethylpyrazine-\k^2^<i>N</i>:<i>N</i>']
 4-amino-2,5-dichlorobenzenesulfonate]
;
_journal_coeditor_code           LH2525
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2734
_journal_page_last               m2735
_journal_paper_doi               10.1107/S160053680704977X
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ag (C6 H8 N2) (H2 O)] (C6 H4 Cl2 N O3 S)'
_chemical_formula_moiety         'C6 H10 Ag N2 O + , C6 H4 Cl2 N O3 S -'
_chemical_formula_sum            'C12 H14 Ag Cl2 N3 O4 S'
_chemical_formula_weight         475.09
_chemical_name_systematic
;
catena-Poly[[[aquasilver(I)]-\m-2,3-dimethylpyrazine-\k^2^N:N']
4-amino-2,5-dichlorobenzenesulfonate]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.26(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.162(4)
_cell_length_b                   16.298(9)
_cell_length_c                   13.721(6)
_cell_measurement_reflns_used    12993
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.01
_cell_volume                     1558.9(14)
_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 0.983
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0394
_diffrn_reflns_av_sigmaI/netI    0.0352
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14717
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.05
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.792
_exptl_absorpt_correction_T_max  0.710
_exptl_absorpt_correction_T_min  0.597
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.024
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             944
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.19
_refine_diff_density_max         2.584
_refine_diff_density_min         -0.926
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.144
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     220
_refine_ls_number_reflns         3520
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.143
_refine_ls_R_factor_all          0.0815
_refine_ls_R_factor_gt           0.0739
_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^)+(0.0533P)^2^+23.775P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1907
_refine_ls_wR_factor_ref         0.1936
_reflns_number_gt                2932
_reflns_number_total             3520
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh2525.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2216049
_cod_database_fobs_code          2216049