<i>catena</i>-Poly[[(di-2-pyridylamine)silver(I)]-μ-nicotinato] and <i>catena</i>-poly[[(di-2-pyridylamine)silver(I)]-μ-2,6-dihydroxybenzoato]
Wang, Yue; Okabe, Nobuo; Acta Crystallographica Section C 60 (2004) m605–m608; doi:10.1107/S0108270104026502

data_2014470
_publ_section_title
;
 <i>catena</i>-Poly[[(di-2-pyridylamine)silver(I)]-\m-nicotinato] and
 <i>catena</i>-poly[[(di-2-pyridylamine)silver(I)]-\m-2,6-dihydroxybenzoato]
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m605
_journal_page_last               m608
_journal_paper_doi               10.1107/S0108270104026502
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Ag (C6 H4 N O2) (C10 H9 N3)]'
_chemical_formula_moiety         'C16 H13 Ag N4 O2'
_chemical_formula_sum            'C16 H13 Ag N4 O2'
_chemical_formula_weight         401.17
_chemical_name_systematic
;
catena-Poly[[(di-2-pyridylamine-\k^2^N,N')silver(I)]-\m-nicotinato-
\k^2^N:O]
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.0000(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.96230(10)
_cell_length_b                   8.94870(10)
_cell_length_c                   21.8870(10)
_cell_measurement_reflns_used    12577
_cell_measurement_temperature    296
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1550.95(8)
_computing_cell_refinement       'RAPID-AUTO (Rigaku, 2003)'
_computing_data_collection       'RAPID-AUTO (Rigaku, 2003)'
_computing_data_reduction
; CrystalStructure (Rigaku/MSC, 2004) and
  CRYSTALS (Watkin et al., 1996)
;
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  WordPerfect
_computing_structure_refinement
'SHELXL97 (Sheldrick, 1997) and WinGX (Farrugia, 1999)'
_computing_structure_solution
; SIR97 (Altomare et al., 1999) and
  DIRDIF99 (Beurskens et al., 1999)
;
_diffrn_ambient_temperature      296
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_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  0.017
_diffrn_reflns_av_sigmaI/netI    0.0497
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            15058
_diffrn_reflns_theta_full        27.57
_diffrn_reflns_theta_max         27.57
_diffrn_reflns_theta_min         3.44
_exptl_absorpt_coefficient_mu    1.314
_exptl_absorpt_correction_T_max  0.877
_exptl_absorpt_correction_T_min  0.649
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    (ABSCOR; Higashi, 1995)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.718
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             800
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.471
_refine_diff_density_min         -0.265
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.904
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     208
_refine_ls_number_reflns         3530
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.904
_refine_ls_R_factor_all          0.0300
_refine_ls_R_factor_gt           0.0239
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0291P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0539
_refine_ls_wR_factor_ref         0.0547
_reflns_number_gt                2779
_reflns_number_total             3530
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fg1780.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2014470