Poly[μ~2~-nitrato-(μ~4~-pyrazine-2-carboxylato)disilver(I)]
Seward, Kathryn L.; Ellsworth, Joseph M.; Khaliq, Zeeshan M.; Smith, Mark D.; zur Loye, Hans-Conrad; Acta Crystallographica Section E 63 (2007) m2333–m2333; doi:10.1107/S1600536807037968

data_2215121
_publ_section_title
;
 Poly[\m~2~-nitrato-(\m~4~-pyrazine-2-carboxylato)disilver(I)]
;
_journal_coeditor_code           HB2494
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2333
_journal_page_last               m2333
_journal_paper_doi               10.1107/S1600536807037968
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ag2 (C5 H3 N2 O2) (N O3)]'
_chemical_formula_moiety         'C5 H3 Ag2 N3 O5'
_chemical_formula_sum            'C5 H3 Ag2 N3 O5'
_chemical_formula_weight         400.84
_chemical_name_systematic
;
Poly[\m~2~-nitrato-(\m~4~-pyrazine-2-carboxylato)disilver(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
_cell_angle_alpha                90.00
_cell_angle_beta                 93.480(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.8263(6)
_cell_length_b                   5.9804(4)
_cell_length_c                   15.3032(11)
_cell_measurement_reflns_used    1599
_cell_measurement_temperature    150.0(10)
_cell_measurement_theta_max      22.734
_cell_measurement_theta_min      2.312
_cell_volume                     806.29(10)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2001)'
_computing_data_collection       'SMART  (Bruker, 1998)'
_computing_data_reduction        SAINT-Plus
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2000)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150.0(10)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_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  0.0634
_diffrn_reflns_av_sigmaI/netI    0.0414
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            8281
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.31
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    4.862
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.862
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.302
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             752
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.827
_refine_diff_density_min         -0.643
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     136
_refine_ls_number_reflns         1425
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0397
_refine_ls_R_factor_gt           0.0300
_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^)+(0.0283P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0590
_refine_ls_wR_factor_ref         0.0631
_reflns_number_gt                1216
_reflns_number_total             1425
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2494.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2215121
_cod_database_fobs_code          2215121