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###        Electronic paper (Acta Crystallographica Section E)             ###
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#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.4.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
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# This file may be used for bona fide research purposes within the           #
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data_I
_audit_creation_method     SHELXL97
_chemical_name_systematic
;
Bis(pyridine-3-carboxylic acid-\kN)silver(I) perchlorate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C12 H10 Ag N2 O4 + , Cl O4 -'
_chemical_formula_sum     'C12 H10 Ag Cl N2 O8'
_chemical_formula_iupac     '[Ag (C6 H5 N O2)2] Cl O4'
_chemical_formula_weight     453.54
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
_symmetry_space_group_name_Hall     '-P 2ybc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     8.0139(4)
_cell_length_b     26.3288(15)
_cell_length_c     7.6891(4)
_cell_angle_alpha     90.00
_cell_angle_beta     110.7280(10)
_cell_angle_gamma     90.00
_cell_volume     1517.36(14)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     5837
_cell_measurement_theta_min     2.82
_cell_measurement_theta_max     27.90
_cell_measurement_temperature     273(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.29
_exptl_crystal_size_mid     0.25
_exptl_crystal_size_min     0.21
_exptl_crystal_density_diffrn     1.985
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     896
_exptl_absorpt_coefficient_mu     1.550
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 1996)'
_exptl_absorpt_correction_T_min     0.649
_exptl_absorpt_correction_T_max     0.731
_diffrn_ambient_temperature     273(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker APEXII CCD'
_diffrn_measurement_method     'φ and ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     7763
_diffrn_reflns_av_R_equivalents     0.0286
_diffrn_reflns_av_sigmaI/netI     0.0329
_diffrn_reflns_theta_min     1.55
_diffrn_reflns_theta_max     25.20
_diffrn_reflns_theta_full     25.20
_diffrn_measured_fraction_theta_max     0.998
_diffrn_measured_fraction_theta_full     0.998
_diffrn_reflns_limit_h_min     -8
_diffrn_reflns_limit_h_max     9
_diffrn_reflns_limit_k_min     -29
_diffrn_reflns_limit_k_max     31
_diffrn_reflns_limit_l_min     -9
_diffrn_reflns_limit_l_max     8
_diffrn_standards_number     ?
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_reflns_number_total     2729
_reflns_number_gt     2150
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0542
_refine_ls_R_factor_gt     0.0427
_refine_ls_wR_factor_gt     0.1117
_refine_ls_wR_factor_ref     0.1227
_refine_ls_goodness_of_fit_ref     0.867
_refine_ls_restrained_S_all     0.867
_refine_ls_number_reflns     2729
_refine_ls_number_parameters     219
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
       'calc w = 1/[σ²(Fo²)+(0.0736P)²+4.5241P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     1.263
_refine_diff_density_min     -0.568
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ag' 'Ag' -0.8971 1.1015
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cl' 'Cl' 0.1484 0.1585
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'APEX2 (Bruker, 2007)'
_computing_cell_refinement     'SAINT (Bruker, 2007)'
_computing_data_reduction     'SAINT (Bruker, 2007)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'SHELXTL (Sheldrick, 2008)'
_computing_publication_material     'SHELXTL (Sheldrick, 2008)'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Ag Ag1 0.40344(6) 0.612387(13) 0.34075(6) 0.05534(19) Uani d . 1 . .
    C C1 0.3293(6) 0.72596(17) 0.4083(7) 0.0438(11) Uani d . 1 . .
    H H1 0.2115 0.7150 0.3691 0.053 Uiso calc R 1 . .
    Cl Cl1 0.97387(18) 0.61558(5) 0.3633(2) 0.0544(3) Uani d . 1 . .
    N N1 0.4208(5) 0.53278(14) 0.2719(6) 0.0457(9) Uani d . 1 . .
    O O1 0.2535(4) 0.86018(12) 0.4508(5) 0.0488(8) Uani d . 1 . .
    C C2 0.3650(6) 0.77700(16) 0.4460(6) 0.0367(10) Uani d . 1 . .
    N N2 0.4580(5) 0.69166(14) 0.4261(6) 0.0437(9) Uani d . 1 . .
    O O2 0.0616(5) 0.79535(13) 0.3776(6) 0.0596(10) Uani d . 1 . .
    H H2 -0.0120 0.8184 0.3499 0.089 Uiso calc R 1 . .
    C C3 0.2204(6) 0.81428(17) 0.4237(7) 0.0425(11) Uani d . 1 . .
    O O3 0.0023(4) 0.43163(13) 0.1274(6) 0.0541(9) Uani d . 1 . .
    H H3 -0.0738 0.4093 0.0982 0.081 Uiso calc R 1 . .
    C C4 0.5421(6) 0.79317(18) 0.5073(7) 0.0466(11) Uani d . 1 . .
    H H4 0.5706 0.8271 0.5356 0.056 Uiso calc R 1 . .
    O O4 0.1889(5) 0.36546(12) 0.1767(5) 0.0519(9) Uani d . 1 . .
    C C5 0.6742(6) 0.75790(19) 0.5251(7) 0.0488(12) Uani d . 1 . .
    H H5 0.7932 0.7678 0.5642 0.059 Uiso calc R 1 . .
    O O5 1.0454(10) 0.6352(3) 0.2338(8) 0.147(3) Uani d . 1 . .
    C C6 0.6276(6) 0.70794(18) 0.4842(7) 0.0455(11) Uani d . 1 . .
    H H6 0.7176 0.6843 0.4974 0.055 Uiso calc R 1 . .
    O O6 1.0605(13) 0.6412(4) 0.5267(9) 0.174(4) Uani d . 1 . .
    C C7 0.2868(6) 0.49924(17) 0.2338(7) 0.0409(10) Uani d . 1 . .
    H H7 0.1745 0.5107 0.2256 0.049 Uiso calc R 1 . .
    O O7 0.7884(7) 0.6209(2) 0.2885(11) 0.117(2) Uani d . 1 . .
    C C8 0.3093(6) 0.44812(16) 0.2063(6) 0.0372(10) Uani d . 1 . .
    O O8 1.0104(10) 0.5643(3) 0.3779(16) 0.187(4) Uani d . 1 . .
    C C9 0.1598(6) 0.41126(17) 0.1687(7) 0.0409(10) Uani d . 1 . .
    C C10 0.4758(7) 0.43088(19) 0.2185(8) 0.0500(12) Uani d . 1 . .
    H H10 0.4948 0.3966 0.2025 0.060 Uiso calc R 1 . .
    C C11 0.6130(7) 0.4653(2) 0.2546(8) 0.0567(14) Uani d . 1 . .
    H H11 0.7258 0.4547 0.2613 0.068 Uiso calc R 1 . .
    C C12 0.5813(7) 0.5153(2) 0.2807(8) 0.0534(13) Uani d . 1 . .
    H H12 0.6751 0.5383 0.3056 0.064 Uiso calc R 1 . .
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Ag1 N1 . 2.178(4) y
    Ag1 N2 . 2.185(4) y
    Ag1 O1 4_575 2.899(2) ?
    Ag1 O5 1_455 2.757(8) ?
    C1 N2 . 1.341(6) ?
    C1 C2 . 1.383(6) ?
    C1 H1 . 0.9300 ?
    Cl1 O8 . 1.378(7) ?
    Cl1 O6 . 1.378(6) ?
    Cl1 O7 . 1.398(6) ?
    Cl1 O5 . 1.411(6) ?
    N1 C7 . 1.341(6) ?
    N1 C12 . 1.345(6) ?
    O1 C3 . 1.239(5) ?
    C2 C4 . 1.394(6) ?
    C2 C3 . 1.482(6) ?
    N2 C6 . 1.342(6) ?
    O2 C3 . 1.294(6) ?
    O2 H2 . 0.8200 ?
    O3 C9 . 1.303(6) ?
    O3 H3 . 0.8200 ?
    C4 C5 . 1.378(7) ?
    C4 H4 . 0.9300 ?
    O4 C9 . 1.226(6) ?
    C5 C6 . 1.373(7) ?
    C5 H5 . 0.9300 ?
    C6 H6 . 0.9300 ?
    C7 C8 . 1.384(6) ?
    C7 H7 . 0.9300 ?
    C8 C10 . 1.381(7) ?
    C8 C9 . 1.489(6) ?
    C10 C11 . 1.375(7) ?
    C10 H10 . 0.9300 ?
    C11 C12 . 1.370(7) ?
    C11 H11 . 0.9300 ?
    C12 H12 . 0.9300 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    N1 Ag1 N2 . . 165.65(15) y
    N2 C1 C2 . . 122.6(4) ?
    N2 C1 H1 . . 118.7 ?
    C2 C1 H1 . . 118.7 ?
    O8 Cl1 O6 . . 112.4(6) ?
    O8 Cl1 O7 . . 107.2(4) ?
    O6 Cl1 O7 . . 116.4(6) ?
    O8 Cl1 O5 . . 106.8(6) ?
    O6 Cl1 O5 . . 105.3(4) ?
    O7 Cl1 O5 . . 108.1(5) ?
    C7 N1 C12 . . 117.6(4) ?
    C7 N1 Ag1 . . 124.9(3) ?
    C12 N1 Ag1 . . 117.3(3) ?
    C1 C2 C4 . . 118.5(4) ?
    C1 C2 C3 . . 121.6(4) ?
    C4 C2 C3 . . 119.9(4) ?
    C1 N2 C6 . . 118.1(4) ?
    C1 N2 Ag1 . . 123.2(3) ?
    C6 N2 Ag1 . . 118.5(3) ?
    C3 O2 H2 . . 109.5 ?
    O1 C3 O2 . . 123.6(4) ?
    O1 C3 C2 . . 120.9(4) ?
    O2 C3 C2 . . 115.4(4) ?
    C9 O3 H3 . . 109.5 ?
    C5 C4 C2 . . 118.8(4) ?
    C5 C4 H4 . . 120.6 ?
    C2 C4 H4 . . 120.6 ?
    C6 C5 C4 . . 119.1(5) ?
    C6 C5 H5 . . 120.5 ?
    C4 C5 H5 . . 120.5 ?
    N2 C6 C5 . . 122.9(4) ?
    N2 C6 H6 . . 118.5 ?
    C5 C6 H6 . . 118.5 ?
    N1 C7 C8 . . 122.4(4) ?
    N1 C7 H7 . . 118.8 ?
    C8 C7 H7 . . 118.8 ?
    C10 C8 C7 . . 119.0(4) ?
    C10 C8 C9 . . 119.4(4) ?
    C7 C8 C9 . . 121.6(4) ?
    O4 C9 O3 . . 124.6(4) ?
    O4 C9 C8 . . 120.4(4) ?
    O3 C9 C8 . . 115.0(4) ?
    C11 C10 C8 . . 118.8(5) ?
    C11 C10 H10 . . 120.6 ?
    C8 C10 H10 . . 120.6 ?
    C12 C11 C10 . . 119.1(5) ?
    C12 C11 H11 . . 120.4 ?
    C10 C11 H11 . . 120.4 ?
    N1 C12 C11 . . 123.0(5) ?
    N1 C12 H12 . . 118.5 ?
    C11 C12 H12 . . 118.5 ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    _geom_hbond_publ_flag
    C1 H1 O5 1_455 0.93 2.51 3.244(8) 136 y
    C4 H4 O7 4_576 0.93 2.52 3.266(8) 139 y
    C6 H6 O7 . 0.93 2.52 3.248(8) 136 y
    C7 H7 O8 1_455 0.93 2.49 3.287(9) 144 y
    C12 H12 O7 . 0.93 2.38 3.228(9) 152 y
    O2 H2 O4 2 0.82 1.84 2.649(5) 169 y
    O3 H3 O1 2_545 0.82 1.87 2.689(5) 175 y
data_global
_journal_date_recd_electronic     2008-12-18
_journal_date_accepted     2008-12-30
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2009
_journal_volume     65
_journal_issue      2
_journal_page_first     m148
_journal_page_last     m148
_journal_paper_category     QM
_journal_coeditor_code     HY2176
_publ_contact_author_name     'Qian-Zhu Li'
_publ_contact_author_address
;
Department of Chemistry
Bijie University
Bijie 551700
People's Republic of China
;
_publ_contact_author_email     liqz75@yahoo.com.cn
_publ_contact_author_fax     '86 857 8331343'
_publ_contact_author_phone     '86 857 8331343'
_publ_section_title
;
Bis(pyridine-3-carboxylic acid-κN)silver(I) perchlorate
;
loop_
    _publ_author_name
    _publ_author_address
    'Xiao-Yan Nie'
;
Department of Chemistry
Bijie University
Bijie 551700
People's Republic of China
;
    'Qian-Zhu Li'
;
Department of Chemistry
Bijie University
Bijie 551700
People's Republic of China
;
