#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2012978.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_2012978
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2002
_journal_volume  58
_journal_page_first  m490
_journal_page_last  m493
_publ_section_title
;
Cu~2~(dien)~2~Ag~5~(CN)~9~ with the one-dimensional polymeric cation
[Cu(dien)Ag(CN)~2~]~n~^n+^ and unusual [Ag~2~(CN)~3~]^-^ anion (dien is
diethylenetriamine)
;
loop_
_publ_author_name
  "\<Cern\'ak, Juraj"
  "Chomi\<c, Jozef"
  'Massa, Werner'
_chemical_formula_moiety  '2C6 H13 Ag Cu N5 + , C2 Ag N2 - , C3 Ag2 N3 -'
_chemical_formula_sum  'C17 H26 Ag5 Cu2 N15'
_chemical_formula_iupac
  '[Cu (C4 H13 N3) Ag (C N)2]2 [Ag (C N)2] [Ag2 (C N)3]'
_chemical_formula_weight  1106.96
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x-1/2, -y-1/2, z-1/2'
_cell_length_a  12.5588(12)
_cell_length_b  17.8070(12)
_cell_length_c  6.9608(6)
_cell_angle_alpha  90
_cell_angle_beta  90.794(11)
_cell_angle_gamma  90
_cell_volume  1556.5(2)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  2.362
_exptl_crystal_density_meas  2.360(10)
_diffrn_ambient_temperature  193(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
  Ag1 0.21171(3) 0.419404(15) 0.19494(5) 0.03281(8) Uani d . 1 . . Ag
  Ag2 0.0000 0.5000 0.0000 0.03470(11) Uani d S 1 . . Ag
  Ag3 0.17822(2) 0.440834(16) 0.64119(5) 0.03363(8) Uani d . 1 . . Ag
  Cu 0.19075(3) 0.18433(2) 0.61891(6) 0.02184(10) Uani d . 1 . . Cu
  N1 0.0331(3) 0.17241(19) 0.6590(5) 0.0296(7) Uani d . 1 . . N
  H1A 0.012(4) 0.218(3) 0.690(7) 0.034(5) Uiso d . 1 . . H
  H1B -0.003(4) 0.160(2) 0.559(7) 0.034(5) Uiso d . 1 . . H
  N2 0.2048(3) 0.12959(19) 0.8741(5) 0.0321(7) Uani d . 1 . . N
  H2 0.232(4) 0.080(2) 0.839(6) 0.034(5) Uiso d . 1 . . H
  N3 0.3431(3) 0.21506(18) 0.6773(5) 0.0285(7) Uani d . 1 . . N
  H3A 0.379(4) 0.208(2) 0.572(7) 0.034(5) Uiso d . 1 . . H
  H3B 0.341(4) 0.261(3) 0.704(7) 0.034(5) Uiso d . 1 . . H
  N11 0.1780(3) 0.26263(16) 0.4163(5) 0.0282(7) Uani d . 1 . . N
  N12 0.2231(3) 0.08427(17) 0.4517(5) 0.0303(7) Uani d . 1 . . N
  N21 -0.0163(3) 0.6725(2) 0.1352(6) 0.0439(9) Uani d . 1 . . N
  N31 0.4001(3) 0.3815(2) 0.8151(6) 0.0444(9) Uani d . 1 . . N
  C32 0.0398(3) 0.48861(19) 0.5275(5) 0.0329(8) Uani d P 0.50 . . C
  N32 0.0398(3) 0.48861(19) 0.5275(5) 0.0329(8) Uani d P 0.50 . . N
  C11 0.1877(3) 0.31622(19) 0.3255(6) 0.0287(8) Uani d . 1 . . C
  C12 0.2544(3) 0.52626(19) 0.1053(6) 0.0271(8) Uani d . 1 . . C
  C21 -0.0148(3) 0.6121(2) 0.0803(6) 0.0338(9) Uani d . 1 . . C
  C31 0.3236(3) 0.4062(2) 0.7514(6) 0.0315(9) Uani d . 1 . . C
  C1 0.0155(4) 0.1164(3) 0.8136(7) 0.0400(10) Uani d . 1 . . C
  H1C 0.019(4) 0.068(3) 0.754(7) 0.049(5) Uiso d . 1 . . H
  H1D -0.041(4) 0.123(3) 0.870(8) 0.049(5) Uiso d . 1 . . H
  C2 0.0994(4) 0.1303(3) 0.9690(7) 0.0453(12) Uani d . 1 . . C
  H2A 0.093(4) 0.186(3) 1.022(7) 0.049(5) Uiso d . 1 . . H
  H2B 0.100(4) 0.098(3) 1.043(8) 0.049(5) Uiso d . 1 . . H
  C3 0.2951(4) 0.1616(3) 0.9827(7) 0.0418(10) Uani d . 1 . . C
  H3C 0.309(4) 0.127(3) 1.081(8) 0.049(5) Uiso d . 1 . . H
  H3D 0.268(4) 0.208(3) 1.019(7) 0.049(5) Uiso d . 1 . . H
  C4 0.3840(3) 0.1728(3) 0.8441(7) 0.0387(10) Uani d . 1 . . C
  H4A 0.432(4) 0.204(3) 0.912(8) 0.049(5) Uiso d . 1 . . H
  H4B 0.410(4) 0.121(3) 0.795(7) 0.049(5) Uiso d . 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
  Ag1 0.04474(18) 0.02123(12) 0.03246(19) -0.00092(11) 0.00121(12) 0.00723(11)
  Ag2 0.0415(2) 0.0328(2) 0.0298(3) -0.00204(17) 0.00086(18) 0.00180(16)
  Ag3 0.03189(16) 0.03372(14) 0.0351(2) 0.00696(11) -0.00694(12) -0.00175(12)
  Cu 0.0265(2) 0.02080(18) 0.0182(2) 0.00041(15) -0.00066(16) 0.00275(15)
  N1 0.0297(17) 0.0350(17) 0.024(2) 0.0026(13) -0.0061(13) -0.0005(13)
  N2 0.0332(18) 0.0361(17) 0.027(2) 0.0042(13) -0.0004(14) 0.0079(14)
  N3 0.0281(17) 0.0259(15) 0.032(2) -0.0018(12) 0.0005(14) 0.0012(13)
  N11 0.0357(18) 0.0218(14) 0.0272(19) 0.0028(12) -0.0019(14) 0.0021(12)
  N12 0.0402(18) 0.0241(14) 0.027(2) 0.0018(13) 0.0033(14) 0.0005(12)
  N21 0.046(2) 0.043(2) 0.043(3) 0.0013(16) 0.0066(17) -0.0014(16)
  N31 0.040(2) 0.050(2) 0.042(3) 0.0078(16) -0.0081(17) -0.0064(17)
  CN32 0.0368(19) 0.0371(18) 0.025(2) 0.0106(15) -0.0008(15) 0.0013(14)
  C11 0.035(2) 0.0258(16) 0.025(2) 0.0011(14) -0.0008(15) 0.0008(14)
  C12 0.036(2) 0.0248(16) 0.021(2) -0.0018(14) -0.0006(15) 0.0001(14)
  C21 0.037(2) 0.038(2) 0.027(2) -0.0025(16) 0.0026(17) 0.0025(16)
  C31 0.036(2) 0.0295(18) 0.029(2) 0.0061(15) -0.0073(16) -0.0076(15)
  C1 0.031(2) 0.055(3) 0.034(3) -0.0067(19) 0.0025(18) 0.010(2)
  C2 0.035(2) 0.074(3) 0.027(3) -0.003(2) 0.0037(18) 0.021(2)
  C3 0.037(2) 0.063(3) 0.026(3) 0.007(2) -0.0044(18) 0.001(2)
  C4 0.031(2) 0.052(3) 0.034(3) -0.0059(18) -0.0073(17) 0.0041(19)
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 Ag2 . 3.2970(4) y
  Ag1 Ag3 . 3.1635(6) y
  Ag1 C11 . 2.074(4) y
  Ag1 C12 . 2.075(3) y
  Ag2 C21 . 2.082(4) y
  Ag3 C31 . 2.065(4) y
  Cu N1 . 2.014(3) y
  Cu N2 . 2.032(3) y
  Cu N3 . 2.026(3) y
  Cu N11 . 1.988(3) y
  Cu N12 . 2.170(3) y
  N1 C1 . 1.486(5) ?
  N2 C2 . 1.487(5) ?
  N2 C3 . 1.469(6) ?
  N3 C4 . 1.470(5) ?
  N11 C11 . 1.152(5) y
  N21 C21 . 1.142(5) y
  N31 C31 . 1.141(5) y
  C12 N12 2 1.143(4) ?
  C1 C2 . 1.520(7) ?
  C3 C4 . 1.499(7) ?
  N1 H1B . 0.86(5) ?
  N1 H1A . 0.89(4) ?
  N2 H2 . 0.97(4) ?
  N3 H3A . 0.88(5) ?
  N3 H3B . 0.85(5) ?
  C1 H1C . 0.96(5) ?
  C1 H1D . 0.83(5) ?
  C2 H2A . 1.07(5) ?
  C2 H2B . 0.77(5) ?
  C3 H3C . 0.94(5) ?
  C3 H3D . 0.92(5) ?
  C4 H4A . 0.94(5) ?
  C4 H4B . 1.04(5) ?