<i>catena</i>-Poly[[silver(I)-μ-[<i>N</i>-(4-pyridylmethyl)pyridine-4-carboxamide-κ^2^<i>N</i>:<i>N</i>']] nitrate monohydrate]
Ma, Yu-Tao; Sun, Bai-Wang; Ng, Seik Weng; Acta Crystallographica Section E 64 (2008) m470–; doi:10.1107/S1600536807049082

data_2217715
_publ_section_title
;<i>catena</i>-Poly[[silver(I)-\m-[<i>N</i>-(4-pyridylmethyl)pyridine-4-carboxamide-\k^2^<i>N</i>:<i>N</i>']]
 nitrate monohydrate]
;
_journal_coeditor_code           BG2109
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m470
_journal_paper_doi               10.1107/S1600536807049082
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Ag (C12 H11 N3 O)] N O3 , H2 O'
_chemical_formula_moiety         'C12 H11 Ag N3 O + , N O3 - , H2 O'
_chemical_formula_sum            'C12 H13 Ag N4 O5'
_chemical_formula_weight         401.13
_chemical_name_systematic
;
<i>catena</i>-Poly[[silver(I)-\m-[<i>N</i>-(4-pyridylmethyl)pyridine-4-
carboxamide-\k^2^<i>N</i>:<i>N</i>']] nitrate monohydrate]
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_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            8
_cell_length_a                   12.912(7)
_cell_length_b                   9.021(5)
_cell_length_c                   24.520(10)
_cell_measurement_reflns_used    5655
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     2856(3)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC, 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2005)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2007)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'medium-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0470
_diffrn_reflns_av_sigmaI/netI    0.0285
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            25888
_diffrn_reflns_theta_full        27.42
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.17
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.452
_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_correction_T_min  0.50
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.879
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       column
_exptl_crystal_F_000             1600
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.905
_refine_diff_density_min         -0.749
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     211
_refine_ls_number_reflns         3249
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0700
_refine_ls_R_factor_gt           0.0526
_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^)+(0.0589P)^2^+5.5451P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1305
_refine_ls_wR_factor_ref         0.1407
_reflns_number_gt                2433
_reflns_number_total             3249
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bg2109.cif
_cod_data_source_block           I
_cod_database_code               2217715
_cod_database_fobs_code          2217715