Poly[[(μ~2~-2-amino-4,5-dimethybenzenesulfonato-κ^2^<i>N</i>:<i>O</i>)(μ~2~-2-methylpyrazine-κ^2^<i>N</i>:<i>N</i>')silver(I)] monohydrate]
Dong, Xian-Wu; Li, Yu-Jie; Acta Crystallographica Section E 64 (2008) m80–m80; doi:10.1107/S1600536807063672

data_2216989
_publ_section_title
;Poly[[(\m~2~-2-amino-4,5-dimethybenzenesulfonato-\k^2^<i>N</i>:<i>O</i>)(\m~2~-2-methylpyrazine-\k^2^<i>N</i>:<i>N</i>')silver(I)]
 monohydrate]
;
_journal_coeditor_code           CI2532
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m80
_journal_page_last               m80
_journal_paper_doi               10.1107/S1600536807063672
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Ag (C8 H10 N O3 S) (C7 H6 N2)] , H2 O'
_chemical_formula_moiety         'C13 H16 Ag N3 O3 S , H2 O'
_chemical_formula_sum            'C13 H18 Ag N3 O4 S'
_chemical_formula_weight         420.23
_chemical_name_systematic
;
Poly[[(\m~2~-2-amino-4,5-dimethybenzenesulfonato-\k^2^N:O)(\m~2~-2-
methylpyrazine-\k^2^N:N')silver(I)] monohydrate]
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.2340(4)
_cell_length_b                   11.7610(5)
_cell_length_c                   18.9130(10)
_cell_measurement_reflns_used    3667
_cell_measurement_temperature    292(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.0
_cell_volume                     1609.10(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      292(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0529
_diffrn_reflns_av_sigmaI/netI    0.0430
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            13881
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         2.04
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.402
_exptl_absorpt_correction_T_max  0.711
_exptl_absorpt_correction_T_min  0.615
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.735
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             848
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.502
_refine_diff_density_min         -0.579
_refine_ls_abs_structure_details 'Flack (1983), with 1369 Friedel pairs'
_refine_ls_abs_structure_Flack   0.00(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     207
_refine_ls_number_reflns         3667
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0411
_refine_ls_R_factor_gt           0.0324
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0492P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0827
_refine_ls_wR_factor_ref         0.0845
_reflns_number_gt                3083
_reflns_number_total             3667
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ci2532.cif
_cod_data_source_block           I
_cod_database_code               2216989
_cod_database_fobs_code          2216989