The coordination polymer poly[(μ~3~-3-aminocarbonylpyrazine-2-carboxylato-κ^3^<i>N</i>^1^:<i>O</i>^2^:<i>O</i>^2'^)silver(I)]
Massoud, Al-shima'a A.; Langer, Vratislav; Abu-Youssef, Morsy A. M.; Öhrström, Lars; Acta Crystallographica Section C 67 (2011) m1–m4; doi:10.1107/S0108270110049875

data_2017939
_publ_section_title
;
 The coordination polymer
 poly[(\m~3~-3-aminocarbonylpyrazine-2-carboxylato-\k^3^<i>N</i>^1^:<i>O</i>^2^:<i>O</i>^2'^)silver(I)]
;
_journal_coeditor_code           JZ3193
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m1
_journal_page_last               m4
_journal_paper_doi               10.1107/S0108270110049875
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Ag (C6 H4 N3 O3)]'
_chemical_formula_moiety         'C6 H4 Ag N3 O3'
_chemical_formula_sum            'C6 H4 Ag N3 O3'
_chemical_formula_weight         273.99
_chemical_name_systematic
;
poly[(\m~3~-3-aminocarbonylpyrazine-2-carboxylato-
\k^3^<i>N</i>^1^:<i>O</i>^2^:<i>O</i>^2'^)silver(I)]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                85.5700(10)
_cell_angle_beta                 88.6380(10)
_cell_angle_gamma                84.509(2)
_cell_formula_units_Z            2
_cell_length_a                   5.0540(2)
_cell_length_b                   6.2507(2)
_cell_length_c                   10.9778(2)
_cell_measurement_reflns_used    2079
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      30.5
_cell_measurement_theta_min      3.3
_cell_volume                     344.131(19)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2003)'
_computing_data_reduction
;
SAINT (Bruker, 2003) and SADABS (Sheldrick, 2003)
;
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2010)'
_computing_publication_material
;
SHELXTL (Sheldrick, 2008) and SYSTRE (Delgado Friedrichs, 2007);
topology
codes from the RCSR (O'Keeffe <i>et al.</i>, 2010)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Siemens SMART 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  0.0622
_diffrn_reflns_av_sigmaI/netI    0.0878
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5479
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.50
_diffrn_reflns_theta_min         3.28
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.899
_exptl_absorpt_correction_T_max  0.9443
_exptl_absorpt_correction_T_min  0.2275
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.644
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             264
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.007
_refine_diff_density_min         -1.024
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     126
_refine_ls_number_reflns         2079
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.0787
_refine_ls_R_factor_gt           0.0473
_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^)+(0.0327P)^2^+0.3143P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0801
_refine_ls_wR_factor_ref         0.0909
_reflns_number_gt                1540
_reflns_number_total             2079
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            jz3193.cif
_cod_data_source_block           I
_cod_database_code               2017939
_cod_database_fobs_code          2017939