Supramolecular framework in <i>catena</i>-poly[[(nitrato-κ<i>O</i>)silver(I)]-μ-(<i>R</i>,<i>S</i>)-2-(pyridin-4-ylsulfinyl)pyrimidine-κ^3^<i>N</i>,<i>O</i>:<i>N</i>']
Wan, Chong-Qing; Wang, Zi-Jia; Qiao, Peng; Wang, Zhi-Wei; Li, Ai-Min; Acta Crystallographica Section C 68 (2012) m117–m120; doi:10.1107/S0108270112015041

data_2018479
_publ_section_title
;
 Supramolecular framework in
 <i>catena</i>-poly[[(nitrato-\k<i>O</i>)silver(I)]-\m-(<i>R</i>,<i>S</i>)-2-(pyridin-4-ylsulfinyl)pyrimidine-\k^3^<i>N</i>,<i>O</i>:<i>N</i>']
;
_journal_coeditor_code           LN3150
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m117
_journal_page_last               m120
_journal_paper_doi               10.1107/S0108270112015041
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Ag (N O3) (C9 H7 N3 O S)]'
_chemical_formula_moiety         'C9 H7 Ag N4 O4 S'
_chemical_formula_sum            'C9 H7 Ag N4 O4 S'
_chemical_formula_weight         375.12
_chemical_name_systematic
;
<i>catena</i>-poly[[(nitrato-\k<i>O</i>)silver(I)]-\m-(<i>R</i>,<i>S</i>)-
2-(pyridin-4-ylsulfinyl)pyrimidine-\k^3^<i>N</i>,<i>O</i>:<i>N</i>']
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 90.6680(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   4.99720(10)
_cell_length_b                   21.8972(6)
_cell_length_c                   10.4994(3)
_cell_measurement_reflns_used    216
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.91
_cell_measurement_theta_min      2.15
_cell_volume                     1148.82(5)
_computing_cell_refinement       'APEX2 and SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
;
SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       \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  0.0218
_diffrn_reflns_av_sigmaI/netI    0.0125
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            20256
_diffrn_reflns_theta_full        27.91
_diffrn_reflns_theta_max         27.91
_diffrn_reflns_theta_min         2.15
_exptl_absorpt_coefficient_mu    1.953
_exptl_absorpt_correction_T_max  0.791033
_exptl_absorpt_correction_T_min  0.652321
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.169
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             736
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.808
_refine_diff_density_min         -1.555
_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     172
_refine_ls_number_reflns         2737
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0512
_refine_ls_R_factor_gt           0.0480
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0637P)^2^+2.9205P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1282
_refine_ls_wR_factor_ref         0.1309
_reflns_number_gt                2513
_reflns_number_total             2737
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ln3150.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2018479
_cod_database_fobs_code          2018479