Poly[aquabis[μ~3~-4-(3-pyridyl)pyrimidine-2-sulfonato-κ^4^<i>N</i>^4^:<i>N</i>^1^,<i>O</i>:<i>O</i>][μ~2~-4-(3-pyridyl)pyrimidine-2-sulfonato-κ^3^<i>N</i>^4^:<i>N</i>^1^,<i>O</i>]trisilver(I)]
Liu, Xia; Hu, Dahua; Acta Crystallographica Section E 67 (2011) m1067–m1068; doi:10.1107/S1600536811026626

data_2231041
_publ_section_title
;
 Poly[aquabis[\m~3~-4-(3-pyridyl)pyrimidine-2-sulfonato-\k^4^<i>N</i>^4^:<i>N</i>^1^,<i>O</i>:<i>O</i>][\m~2~-4-(3-pyridyl)pyrimidine-2-sulfonato-\k^3^<i>N</i>^4^:<i>N</i>^1^,<i>O</i>]trisilver(I)]
;
_journal_coeditor_code           CV5105
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1067
_journal_page_last               m1068
_journal_paper_doi               10.1107/S1600536811026626
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Ag3 (C9 H6 N3 O3 S)3 (H2 O)2]'
_chemical_formula_moiety         'C27 H22 Ag3 N9 O11 S3'
_chemical_formula_sum            'C27 H22 Ag3 N9 O11 S3'
_chemical_formula_weight         1068.36
_chemical_name_systematic
;
Poly[aquabis[\m~3~-4-(3-pyridyl)pyrimidine-2-sulfonato-
\k^4^<i>N</i>^4^:<i>N</i>^1^,<i>O</i>:<i>O</i>][\m~2~-4-(3-pyridyl)pyrimidine-
2-sulfonato-\k^3^<i>N</i>^4^:<i>N</i>^1^,<i>O</i>]trisilver(I)]
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.0738(16)
_cell_length_b                   19.9598(17)
_cell_length_c                   8.6372(7)
_cell_measurement_reflns_used    3327
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      26.0
_cell_measurement_theta_min      2.1
_cell_volume                     3288.3(5)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w scan'
_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  0.0620
_diffrn_reflns_av_sigmaI/netI    0.0527
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            16896
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.14
_exptl_absorpt_coefficient_mu    2.036
_exptl_absorpt_correction_T_max  0.64
_exptl_absorpt_correction_T_min  0.56
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.158
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2096
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.798
_refine_diff_density_min         -1.247
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     274
_refine_ls_number_reflns         3327
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0742
_refine_ls_R_factor_gt           0.0517
_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^)+(0.06P)^2^+1.55P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1130
_refine_ls_wR_factor_ref         0.1186
_reflns_number_gt                2555
_reflns_number_total             3327
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cv5105.cif
_cod_data_source_block           I
_cod_database_code               2231041
_cod_database_fobs_code          2231041