Bis(pyridine-4-carboxylic acid-κ<i>N</i>)silver(I) nitrate dihydrate
Li, Bao; Gao, Po; Ye, Ling; Yang, Guang-Di; Wu, Li-Xin; Acta Crystallographica Section E 62 (2006) m3238–m3239; doi:10.1107/S1600536806045624

data_2211362
_publ_section_title
;
 Bis(pyridine-4-carboxylic acid-\k<i>N</i>)silver(I) nitrate dihydrate
;
_journal_coeditor_code           DN2084
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3238
_journal_page_last               m3239
_journal_paper_doi               10.1107/S1600536806045624
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Ag (C6 H5 N O2)2] N O3 , 2H2 O'
_chemical_formula_moiety         'C12 H10 Ag N2 O4 + , N O3 - , 2H2 O'
_chemical_formula_sum            'C12 H14 Ag N3 O9'
_chemical_formula_weight         452.13
_chemical_name_systematic
;
Bis(pyridine-4-carboxylic acid-\kN)silver(I) nitrate dihydrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 103.93(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.954(4)
_cell_length_b                   21.605(9)
_cell_length_c                   10.849(7)
_cell_measurement_reflns_used    12223
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      55.04
_cell_measurement_theta_min      6.04
_cell_volume                     1582.0(15)
_computing_cell_refinement       RAPID-AUTO
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics
;
ORTEPIII (Burnett & Johnson, 1996), ORTEP-3 for Windows (Farrugia,
1997) and
CAMERON (Watkin <i>et al.</i>,  1993)
;
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_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  0.0506
_diffrn_reflns_av_sigmaI/netI    0.0474
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            15087
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.16
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.329
_exptl_absorpt_correction_T_max  0.7212
_exptl_absorpt_correction_T_min  0.6904
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.898
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             904
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.703
_refine_diff_density_min         -0.387
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     228
_refine_ls_number_reflns         3598
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0574
_refine_ls_R_factor_gt           0.0402
_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^)+(0.0446P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0871
_refine_ls_wR_factor_ref         0.0916
_reflns_number_gt                2607
_reflns_number_total             3598
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            dn2084.cif
_cod_data_source_block           I
_cod_original_cell_volume        1582.0(14)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2211362
_cod_database_fobs_code          2211362