#------------------------------------------------------------------------------
#$Date: 2011-09-17 23:27:16 +0300 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2012638.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2012638
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2002
_journal_volume  58
_journal_page_first  m246
_journal_page_last  m248
_publ_section_title
;
Low-dimensional compounds containing cyano groups. I.
catena-Poly[[[dicyanoargentato(I)-\kN]bis(4-methylpyridine-\kN)copper(II)]-
\m-dicyanoargentato(I)-\k^2^N:N']
;
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_[local]_cod_cif_authors_sg_H-M  'C 2/c'
loop_
_publ_author_name
  'Tri\<s\<c\'ikov\'a, \<Lubica'
  'Poto\<c\<n\'ak, Ivan'
  'Wagner, Christoph'
_chemical_formula_moiety  'C16 H14 Ag2 Cu N6'
_chemical_formula_sum  'C16 H14 Ag2 Cu N6'
_chemical_formula_iupac  '[Ag2 Cu (C N)4 (C6 H7 N)2]'
_chemical_formula_weight  569.61
_symmetry_cell_setting  monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y, -z+1/2'
  'x+1/2, y+1/2, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y, z-1/2'
  '-x+1/2, -y+1/2, -z'
  'x+1/2, -y+1/2, z-1/2'
_cell_length_a  11.752(3)
_cell_length_b  17.795(3)
_cell_length_c  9.594(3)
_cell_angle_alpha  90
_cell_angle_beta  107.95(3)
_cell_angle_gamma  90
_cell_volume  1908.7(8)
_cell_formula_units_Z  4
_cell_measurement_temperature  220(2)
_exptl_crystal_density_diffrn  1.982
_diffrn_ambient_temperature  220(2)
loop_
_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
_atom_site_type_symbol
  Ag2 0.5000 0.714195(14) 0.2500 0.02997(9) Uani d S 1 . . Ag
  Cu1 0.5000 0.42233(2) 0.2500 0.01632(10) Uani d S 1 . . Cu
  Ag1 0.7500 0.2500 0.0000 0.03079(9) Uani d S 1 . . Ag
  N1 0.60216(17) 0.35189(11) 0.1625(2) 0.0232(4) Uani d . 1 . . N
  C1 0.6558(2) 0.31594(13) 0.1054(3) 0.0243(5) Uani d . 1 . . C
  N2 0.5000 0.53387(17) 0.2500 0.0248(6) Uani d S 1 . . N
  C2 0.5000 0.59826(19) 0.2500 0.0248(7) Uani d S 1 . . C
  N3 0.5000 0.89354(18) 0.2500 0.0526(11) Uani d S 1 . . N
  C3 0.5000 0.8297(2) 0.2500 0.0365(9) Uani d S 1 . . C
  N10 0.36819(17) 0.42009(10) 0.0536(2) 0.0206(4) Uani d . 1 . . N
  C11 0.3307(2) 0.35279(13) -0.0070(3) 0.0256(5) Uani d . 1 . . C
  H11 0.3654 0.3096 0.0429 0.031 Uiso calc R 1 . . H
  C12 0.2437(2) 0.34528(15) -0.1389(3) 0.0297(6) Uani d . 1 . . C
  H12 0.2204 0.2976 -0.1767 0.036 Uiso calc R 1 . . H
  C13 0.1897(2) 0.40831(16) -0.2169(3) 0.0291(6) Uani d . 1 . . C
  C14 0.2285(2) 0.47735(15) -0.1537(3) 0.0320(6) Uani d . 1 . . C
  H14 0.1947 0.5213 -0.2010 0.038 Uiso calc R 1 . . H
  C15 0.3165(2) 0.48088(14) -0.0213(3) 0.0281(5) Uani d . 1 . . C
  H15 0.3416 0.5280 0.0184 0.034 Uiso calc R 1 . . H
  C16 0.0963(2) 0.40301(19) -0.3636(3) 0.0437(7) Uani d . 1 . . C
  H16A 0.0519 0.3573 -0.3690 0.052 Uiso calc R 1 . . H
  H16B 0.1341 0.4033 -0.4392 0.052 Uiso calc R 1 . . H
  H16C 0.0430 0.4451 -0.3766 0.052 Uiso calc R 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Ag2 0.03663(16) 0.01458(13) 0.03291(17) 0.000 0.00222(11) 0.000
  Cu1 0.02032(19) 0.01236(18) 0.0166(2) 0.000 0.00621(15) 0.000
  Ag1 0.03842(16) 0.03343(16) 0.02601(16) 0.01822(11) 0.01801(12) 0.00097(12)
  N1 0.0261(10) 0.0250(10) 0.0204(10) 0.0061(8) 0.0099(8) -0.0003(9)
  C1 0.0269(12) 0.0275(13) 0.0184(12) 0.0066(10) 0.0069(10) 0.0026(10)
  N2 0.0309(14) 0.0209(15) 0.0202(14) 0.000 0.0045(11) 0.000
  C2 0.0310(18) 0.0185(18) 0.0232(19) 0.000 0.0057(14) 0.000
  N3 0.060(2) 0.0199(18) 0.057(3) 0.000 -0.0131(19) 0.000
  C3 0.037(2) 0.0231(19) 0.036(2) 0.000 -0.0076(16) 0.000
  N10 0.0235(9) 0.0193(9) 0.0194(10) -0.0008(7) 0.0072(8) -0.0009(8)
  C11 0.0329(13) 0.0198(11) 0.0243(13) -0.0032(9) 0.0090(10) 0.0009(10)
  C12 0.0327(13) 0.0295(13) 0.0263(14) -0.0099(10) 0.0083(11) -0.0068(11)
  C13 0.0213(12) 0.0431(15) 0.0236(14) -0.0008(10) 0.0078(10) -0.0024(11)
  C14 0.0313(12) 0.0303(14) 0.0300(14) 0.0075(10) 0.0029(10) 0.0036(11)
  C15 0.0298(12) 0.0222(12) 0.0283(13) 0.0036(9) 0.0029(10) -0.0006(10)
  C16 0.0353(15) 0.061(2) 0.0279(16) -0.0008(13) 0.0004(12) -0.0023(14)
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
  Ag2 C3 . 2.055(4) yes
  Ag2 C2 . 2.063(3) yes
  Ag2 Ag1 4_655 3.2322(13) ?
  Ag2 Ag1 3_455 3.2322(13) ?
  Cu1 N2 . 1.985(3) yes
  Cu1 N10 . 2.038(2) yes
  Cu1 N10 2_655 2.038(2) ?
  Cu1 N1 2_655 2.0827(19) ?
  Cu1 N1 . 2.0827(19) yes
  Ag1 C1 7_655 2.077(2) ?
  Ag1 C1 . 2.077(2) yes
  Ag1 Ag2 3_545 3.2322(12) yes
  Ag1 Ag2 5_665 3.2322(12) ?
  N1 C1 . 1.149(3) yes
  N2 C2 . 1.146(5) yes
  N3 C3 . 1.137(5) yes
  N10 C15 . 1.337(3) ?
  N10 C11 . 1.345(3) ?
  C11 C12 . 1.367(4) ?
  C11 H11 . 0.9300 ?
  C12 C13 . 1.388(4) ?
  C12 H12 . 0.9300 ?
  C13 C14 . 1.384(4) ?
  C13 C16 . 1.497(4) ?
  C14 C15 . 1.370(4) ?
  C14 H14 . 0.9300 ?
  C15 H15 . 0.9300 ?
  C16 H16A . 0.9600 ?
  C16 H16B . 0.9600 ?
  C16 H16C . 0.9600 ?
_cod_database_code 2012638