##############################################################################
#                                                                            #
# 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 Acta Crystallographica 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.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_global
_audit_creation_method     ?
_journal_date_recd_electronic     2011-05-28
_journal_date_accepted     2011-06-10
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2011
_journal_volume     67
_journal_issue      7
_journal_page_first     m938
_journal_page_last     m939
_journal_paper_category     QM
_journal_coeditor_code     HB5898
_publ_contact_author
;
Muhammad Nawaz Tahir
University of Sargodha
Department of Physics
Sargodha
Pakistan
;
_publ_contact_author_email     'dmntahir_uos@yahoo.com'
_publ_contact_author_fax     '0092 48 32 22 121'
_publ_contact_author_phone     '0092 48 92 30 914'
_publ_section_title
;
catena-Poly[bis(μ₃-2-methyl-3,5-dinitrobenzoato)disilver(I)]
;
loop_
    _publ_author_name
    _publ_author_address
    'Danish, Muhammad'
;
University of Gujrat
Department of Chemistry
Hafiz Hayat Campus
Gujrat
Pakistan
;
    'Tahir, M. Nawaz'
;
University of Sargodha
Department of Physics
Sargodha
Pakistan
;
    'Sabiha Ghafoor'
;
University of Sargodha
Department of Chemistry
Sargodha
Pakistan
;
    'Nazir Ahmad'
;
University of Sargodha
Department of Chemistry
Sargodha
Pakistan
;
    'Mehwish Nisa'
;
University of Sargodha
Department of Chemistry
Sargodha
Pakistan
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
catena-Poly[bis(μ₃-2-methyl-3,5-dinitrobenzoato)disilver(I)]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C8 H5 Ag N2 O6'
_chemical_formula_sum     'C8 H5 Ag N2 O6'
_chemical_formula_iupac     '[Ag2 (C8 H5 N2 O6)2]'
_chemical_formula_weight     333.01
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/n'
_symmetry_space_group_name_Hall     '-P 2yn'
loop_
    _symmetry_equiv_pos_site_id
    _symmetry_equiv_pos_as_xyz
    1 x,y,z
    2 1/2-x,1/2+y,1/2-z
    3 -x,-y,-z
    4 1/2+x,1/2-y,1/2+z
_cell_length_a     5.7073(3)
_cell_length_b     11.9204(6)
_cell_length_c     14.5117(7)
_cell_angle_alpha     90
_cell_angle_beta     90.493(2)
_cell_angle_gamma     90
_cell_volume     987.24(9)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     1786
_cell_measurement_theta_min     2.21
_cell_measurement_theta_max     28.32
_cell_measurement_temperature     296(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     colorless
_exptl_crystal_size_max     0.32
_exptl_crystal_size_mid     0.24
_exptl_crystal_size_min     0.22
_exptl_crystal_density_diffrn     2.240
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     648
_exptl_absorpt_coefficient_mu     2.062
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 2005)'
_exptl_absorpt_correction_T_min     0.560
_exptl_absorpt_correction_T_max     0.630
_exptl_special_details
;
;
_diffrn_ambient_temperature     296(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 Kappa APEXII CCD'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     7.50
_diffrn_reflns_number     9039
_diffrn_reflns_av_R_equivalents     0.0366
_diffrn_reflns_av_sigmaI/netI     0.0367
_diffrn_reflns_theta_min     2.21
_diffrn_reflns_theta_max     28.32
_diffrn_reflns_theta_full     28.32
_diffrn_measured_fraction_theta_max     0.978
_diffrn_measured_fraction_theta_full     0.978
_diffrn_reflns_limit_h_min     -7
_diffrn_reflns_limit_h_max     7
_diffrn_reflns_limit_k_min     -15
_diffrn_reflns_limit_k_max     15
_diffrn_reflns_limit_l_min     -19
_diffrn_reflns_limit_l_max     18
_diffrn_standards_number     0
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_refine_special_details
;
Refinement of F² against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F², conventional
R-factors R are based on F, with F set to zero for
negative F². The threshold expression of F² >
σ(F²) is used only for calculating R-factors(gt) etc.
and is not relevant to the choice of reflections for refinement.
R-factors based on F² are statistically about twice as large
as those based on F, and R- factors based on ALL data will be
even larger.
;
_reflns_number_total     2406
_reflns_number_gt     1786
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0493
_refine_ls_R_factor_gt     0.0314
_refine_ls_wR_factor_gt     0.0649
_refine_ls_wR_factor_ref     0.0712
_refine_ls_goodness_of_fit_ref     1.017
_refine_ls_restrained_S_all     1.017
_refine_ls_number_reflns     2406
_refine_ls_number_parameters     155
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0305P)²+0.1320P] 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     0.374
_refine_diff_density_min     -0.472
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'
_computing_data_collection     'APEX2 (Bruker, 2009)'
_computing_cell_refinement     'SAINT (Bruker, 2009)'
_computing_data_reduction     'SAINT (Bruker, 2009)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics
                  'ORTEP-3 for Windows (Farrugia, 1997) and PLATON (Spek, 2009)'
_computing_publication_material
;
WinGX (Farrugia, 1999) and PLATON (Spek, 2009)
;
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_symmetry_multiplicity
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Ag Ag1 -0.29331(4) -0.02958(3) -0.051068(17) 0.04430(11) Uani d . 1 1 . .
    O O1 -0.1299(4) -0.0013(2) 0.08689(15) 0.0381(6) Uani d . 1 1 . .
    O O2 -0.4558(4) 0.0300(2) 0.16610(16) 0.0459(6) Uani d . 1 1 . .
    O O3 -0.1538(7) 0.2338(3) 0.4925(2) 0.0946(12) Uani d . 1 1 . .
    O O4 0.1858(6) 0.2829(3) 0.4489(2) 0.0870(11) Uani d . 1 1 . .
    O O5 0.5695(4) -0.0999(3) 0.40124(18) 0.0609(8) Uani d . 1 1 . .
    O O6 0.3756(5) -0.2134(2) 0.31332(19) 0.0623(8) Uani d . 1 1 . .
    N N1 0.0174(6) 0.2210(2) 0.4468(2) 0.0477(8) Uani d . 1 1 . .
    N N2 0.4018(4) -0.1237(3) 0.35194(18) 0.0400(7) Uani d . 1 1 . .
    C C1 -0.2392(5) 0.0204(2) 0.1589(2) 0.0276(6) Uani d . 1 1 . .
    C C2 -0.0938(5) 0.0338(2) 0.24522(19) 0.0252(6) Uani d . 1 1 . .
    C C3 -0.1291(5) 0.1216(2) 0.3078(2) 0.0282(6) Uani d . 1 1 . .
    C C4 0.0286(5) 0.1253(3) 0.3821(2) 0.0319(7) Uani d . 1 1 . .
    C C5 0.2037(5) 0.0491(3) 0.3986(2) 0.0341(7) Uani d . 1 1 . .
    H H5 0.3050 0.0562 0.4488 0.041 Uiso calc R 1 1 . .
    C C6 0.2220(5) -0.0381(3) 0.3373(2) 0.0289(6) Uani d . 1 1 . .
    C C7 0.0803(5) -0.0451(2) 0.26043(19) 0.0271(6) Uani d . 1 1 . .
    H H7 0.1016 -0.1031 0.2184 0.032 Uiso calc R 1 1 . .
    C C8 -0.3140(6) 0.2095(3) 0.2935(3) 0.0455(9) Uani d . 1 1 . .
    H H8A -0.3469 0.2171 0.2288 0.068 Uiso calc R 1 1 . .
    H H8B -0.2592 0.2799 0.3175 0.068 Uiso calc R 1 1 . .
    H H8C -0.4541 0.1877 0.3249 0.068 Uiso calc R 1 1 . .
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
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 O2 3_455 2.190(2) y
    Ag1 O1 . 2.227(2) y
    Ag1 O1 3 2.502(2) y
    Ag1 Ag1 3_455 2.8845(5) n
    O1 C1 . 1.249(4) ?
    O1 Ag1 3 2.502(2) n
    O2 C1 . 1.247(3) ?
    O2 Ag1 3_455 2.190(2) ?
    O3 N1 . 1.195(4) ?
    O4 N1 . 1.212(4) ?
    O5 N2 . 1.223(3) ?
    O6 N2 . 1.216(4) ?
    N1 C4 . 1.479(4) ?
    N2 C6 . 1.462(4) ?
    C1 C2 . 1.505(4) ?
    C2 C7 . 1.384(4) ?
    C2 C3 . 1.402(4) ?
    C3 C4 . 1.399(4) ?
    C3 C8 . 1.500(4) ?
    C4 C5 . 1.370(4) ?
    C5 C6 . 1.373(4) ?
    C5 H5 . 0.9300 ?
    C6 C7 . 1.375(4) ?
    C7 H7 . 0.9300 ?
    C8 H8A . 0.9600 ?
    C8 H8B . 0.9600 ?
    C8 H8C . 0.9600 ?
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
    O2 Ag1 O1 3_455 . 162.11(8) y
    O2 Ag1 O1 3_455 3 117.90(8) y
    O1 Ag1 O1 . 3 76.52(8) y
    O2 Ag1 Ag1 3_455 3_455 81.95(6) ?
    O1 Ag1 Ag1 . 3_455 80.74(6) ?
    O1 Ag1 Ag1 3 3_455 150.00(5) ?
    C1 O1 Ag1 . . 125.13(18) ?
    C1 O1 Ag1 . 3 129.30(18) ?
    Ag1 O1 Ag1 . 3 103.48(8) ?
    C1 O2 Ag1 . 3_455 125.3(2) ?
    O3 N1 O4 . . 124.0(3) ?
    O3 N1 C4 . . 119.4(3) ?
    O4 N1 C4 . . 116.6(3) ?
    O6 N2 O5 . . 124.5(3) ?
    O6 N2 C6 . . 117.6(3) ?
    O5 N2 C6 . . 117.9(3) ?
    O2 C1 O1 . . 126.3(3) ?
    O2 C1 C2 . . 117.4(3) ?
    O1 C1 C2 . . 116.3(2) ?
    C7 C2 C3 . . 120.7(3) ?
    C7 C2 C1 . . 116.8(3) ?
    C3 C2 C1 . . 122.5(3) ?
    C4 C3 C2 . . 115.3(3) ?
    C4 C3 C8 . . 122.1(3) ?
    C2 C3 C8 . . 122.5(3) ?
    C5 C4 C3 . . 125.3(3) ?
    C5 C4 N1 . . 115.8(3) ?
    C3 C4 N1 . . 118.8(3) ?
    C4 C5 C6 . . 116.6(3) ?
    C4 C5 H5 . . 121.7 ?
    C6 C5 H5 . . 121.7 ?
    C5 C6 C7 . . 121.6(3) ?
    C5 C6 N2 . . 119.5(3) ?
    C7 C6 N2 . . 118.9(3) ?
    C6 C7 C2 . . 120.3(3) ?
    C6 C7 H7 . . 119.8 ?
    C2 C7 H7 . . 119.8 ?
    C3 C8 H8A . . 109.5 ?
    C3 C8 H8B . . 109.5 ?
    H8A C8 H8B . . 109.5 ?
    C3 C8 H8C . . 109.5 ?
    H8A C8 H8C . . 109.5 ?
    H8B C8 H8C . . 109.5 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O2 Ag1 O1 C1 3_455 . . . 19.3(5) ?
    O1 Ag1 O1 C1 3 . . . 164.8(3) ?
    Ag1 Ag1 O1 C1 3_455 . . . 4.5(2) ?
    O2 Ag1 O1 Ag1 3_455 . . 3 -145.5(3) ?
    O1 Ag1 O1 Ag1 3 . . 3 0.0 ?
    Ag1 Ag1 O1 Ag1 3_455 . . 3 -160.29(8) ?
    Ag1 O2 C1 O1 3_455 . . . -7.0(5) ?
    Ag1 O2 C1 C2 3_455 . . . 174.26(19) ?
    Ag1 O1 C1 O2 . . . . -0.1(5) ?
    Ag1 O1 C1 O2 3 . . . 160.7(2) ?
    Ag1 O1 C1 C2 . . . . 178.61(18) ?
    Ag1 O1 C1 C2 3 . . . -20.6(4) ?
    O2 C1 C2 C7 . . . . 134.2(3) ?
    O1 C1 C2 C7 . . . . -44.6(4) ?
    O2 C1 C2 C3 . . . . -46.2(4) ?
    O1 C1 C2 C3 . . . . 135.0(3) ?
    C7 C2 C3 C4 . . . . 2.7(4) ?
    C1 C2 C3 C4 . . . . -176.9(3) ?
    C7 C2 C3 C8 . . . . 179.3(3) ?
    C1 C2 C3 C8 . . . . -0.2(4) ?
    C2 C3 C4 C5 . . . . -2.3(4) ?
    C8 C3 C4 C5 . . . . -178.9(3) ?
    C2 C3 C4 N1 . . . . 174.6(3) ?
    C8 C3 C4 N1 . . . . -2.0(4) ?
    O3 N1 C4 C5 . . . . -118.4(4) ?
    O4 N1 C4 C5 . . . . 62.5(4) ?
    O3 N1 C4 C3 . . . . 64.4(4) ?
    O4 N1 C4 C3 . . . . -114.7(4) ?
    C3 C4 C5 C6 . . . . -0.8(5) ?
    N1 C4 C5 C6 . . . . -177.8(3) ?
    C4 C5 C6 C7 . . . . 3.6(5) ?
    C4 C5 C6 N2 . . . . -178.7(3) ?
    O6 N2 C6 C5 . . . . 160.4(3) ?
    O5 N2 C6 C5 . . . . -20.4(4) ?
    O6 N2 C6 C7 . . . . -21.8(4) ?
    O5 N2 C6 C7 . . . . 157.4(3) ?
    C5 C6 C7 C2 . . . . -3.2(5) ?
    N2 C6 C7 C2 . . . . 179.1(3) ?
    C3 C2 C7 C6 . . . . -0.2(4) ?
    C1 C2 C7 C6 . . . . 179.4(3) ?
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
    C5 H5 O5 3_656 0.93 2.34 3.227(4) 159
