#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2012233.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_2012233
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  1025
_journal_page_last  1026
_publ_section_title
;
Tetrakis(\m-acetato-O,O')bis[(4-cyanopyridine-N)copper(II)]
;
loop_
_publ_author_name
  'Das, Birinchi K.'
  'Barman, Rama K.'
_chemical_name_common
;
Copper(II) acetate 4-cyanopyridine adduct
;
_chemical_formula_moiety  'C20 H20 Cu2 N4 O8'
_chemical_formula_sum  'C20 H20 Cu2 N4 O8'
_chemical_formula_iupac  '[Cu2 (C2 H3 O2)4 (C6 H4 N2)2]'
_chemical_formula_weight  571.48
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  7.734(5)
_cell_length_b  8.432(3)
_cell_length_c  9.782(4)
_cell_angle_alpha  95.88(4)
_cell_angle_beta  112.78(4)
_cell_angle_gamma  92.09(4)
_cell_volume  583.0(5)
_cell_formula_units_Z  1
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.628
_diffrn_ambient_temperature  293(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
  Cu1  .04167(4)  .04818(3)  .39355(3)  .03404(12) Uani d . 1 . . Cu
  O1  -.2130(3)  -.0410(2)  .2567(2)  .0481(4) Uani d . 1 . . O
  O2  .1342(3)  -.1639(2)  .3737(2)  .0468(4) Uani d . 1 . . O
  O3  .2830(3)  .1200(3)  .5594(2)  .0539(5) Uani d . 1 . . O
  O4  -.0692(3)  .2421(2)  .4405(2)  .0514(5) Uani d . 1 . . O
  N1  .1225(3)  .1547(2)  .2300(2)  .0372(4) Uani d . 1 . . N
  N2  .2778(4)  .4892(3)  -.1493(3)  .0639(7) Uani d . 1 . . N
  C1  .3227(3)  .1026(3)  .6931(3)  .0410(6) Uani d . 1 . . C
  C2  .1325(3)  -.2639(3)  .4596(3)  .0395(5) Uani d . 1 . . C
  C3  .5180(5)  .1614(6)  .8023(5)  .0643(9) Uani d . 1 . . C
  C4  .2085(6)  -.4214(4)  .4401(5)  .0582(8) Uani d . 1 . . C
  C5  .2985(4)  .2101(3)  .2596(3)  .0456(6) Uani d . 1 . . C
  C6  .3475(4)  .2931(4)  .1642(3)  .0495(7) Uani d . 1 . . C
  C7  .2072(4)  .3212(3)  .0318(3)  .0396(5) Uani d . 1 . . C
  C8  .0247(4)  .2634(4)  -.0013(3)  .0518(7) Uani d . 1 . . C
  C9  -.0101(4)  .1824(4)  .1021(3)  .0512(7) Uani d . 1 . . C
  C10  .2479(4)  .4132(3)  -.0706(3)  .0475(6) Uani d . 1 . . C
  H1  .390(4)  .179(3)  .344(3)  .050(8) Uiso d . 1 . . H
  H2  -.074(5)  .280(4)  -.089(4)  .065(10) Uiso d . 1 . . H
  H3  .475(5)  .317(4)  .188(4)  .076(11) Uiso d . 1 . . H
  H4  -.126(5)  .154(5)  .083(4)  .086(13) Uiso d . 1 . . H
  H5  .115(6)  -.490(5)  .376(5)  .102(15) Uiso d . 1 . . H
  H6  .548(7)  .128(6)  .877(6)  .107(19) Uiso d . 1 . . H
  H7  .605(6)  .140(5)  .767(5)  .093(14) Uiso d . 1 . . H
  H8  .277(7)  -.418(5)  .393(5)  .108(17) Uiso d . 1 . . H
  H9  .269(6)  -.458(5)  .520(5)  .093(15) Uiso d . 1 . . H
  H10  .535(7)  .272(7)  .842(6)  .129(18) 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
  Cu1  .03628(18)  .03843(18)  .03220(17)  -.00445(11)  .01884(13)  .00647(11)
  O1  .0404(10)  .0617(12)  .0397(9)  -.0062(8)  .0139(8)  .0065(8)
  O2  .0575(12)  .0453(10)  .0504(10)  .0080(8)  .0332(9)  .0121(8)
  O3  .0411(10)  .0741(14)  .0446(11)  -.0170(9)  .0173(8)  .0048(9)
  O4  .0754(14)  .0408(10)  .0546(11)  .0074(9)  .0417(11)  .0130(8)
  N1  .0405(11)  .0408(11)  .0361(10)  -.0032(9)  .0216(9)  .0058(8)
  N2  .0612(16)  .0777(18)  .0647(16)  -.0025(13)  .0325(14)  .0322(14)
  C1  .0314(13)  .0443(14)  .0447(14)  -.0019(10)  .0144(11)  -.0018(11)
  C2  .0365(13)  .0385(13)  .0430(13)  -.0016(10)  .0159(11)  .0033(10)
  C3  .0339(16)  .089(3)  .058(2)  -.0072(16)  .0104(15)  -.0094(19)
  C4  .065(2)  .0464(17)  .069(2)  .0105(15)  .0325(19)  .0076(16)
  C5  .0391(14)  .0605(17)  .0409(14)  -.0023(12)  .0182(12)  .0157(12)
  C6  .0379(15)  .0658(18)  .0503(15)  -.0077(13)  .0224(12)  .0155(13)
  C7  .0479(15)  .0402(13)  .0404(13)  -.0007(11)  .0277(11)  .0075(10)
  C8  .0424(15)  .073(2)  .0400(14)  -.0068(13)  .0148(12)  .0191(13)
  C9  .0368(15)  .072(2)  .0455(15)  -.0112(13)  .0161(12)  .0184(13)
  C10  .0459(15)  .0569(16)  .0470(15)  -.0016(12)  .0250(12)  .0137(13)
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
  Cu1 O3 . 1.963(2) yes
  Cu1 O4 . 1.968(2) yes
  Cu1 O2 . 1.969(2) yes
  Cu1 O1 . 1.970(2) yes
  Cu1 N1 . 2.188(2) yes
  Cu1 Cu1 2_556 2.6000(11) ?
  O1 C1 2_556 1.255(3) ?
  O2 C2 . 1.253(3) yes
  O3 C1 . 1.248(3) yes
  O4 C2 2_556 1.252(3) ?
  N1 C9 . 1.325(4) ?
  N1 C5 . 1.332(3) ?
  N2 C10 . 1.133(3) yes
  C1 O1 2_556 1.255(3) ?
  C1 C3 . 1.502(4) ?
  C2 O4 2_556 1.252(3) ?
  C2 C4 . 1.496(4) ?
  C3 H6 .  .76(5) ?
  C3 H7 .  .88(4) ?
  C3 H10 .  .96(6) ?
  C4 H5 .  .89(5) ?
  C4 H8 .  .83(5) ?
  C4 H9 .  .84(4) ?
  C5 C6 . 1.376(4) ?
  C5 H1 .  .92(3) ?
  C6 C7 . 1.380(4) ?
  C6 H3 .  .93(4) ?
  C7 C8 . 1.378(4) ?
  C7 C10 . 1.446(3) ?
  C8 C9 . 1.378(4) ?
  C8 H2 .  .93(3) ?
  C9 H4 .  .86(4) ?