#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2008545.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_2008545
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1999
_journal_volume 55
_journal_page_first  873
_journal_page_last  875
_publ_section_title
;
An Oxamidato-bridged binuclear imidazole copper(II) complex
;
loop_
_publ_author_name
  'Zhang, Cungen'
  'Sun, Jie'
  'Kong, Xiangfu'
  'Zhao, Chengxue'
_chemical_formula_moiety  'C14 H24 Cu2 N10 O8'
_chemical_formula_sum  'C14 H24 Cu2 N10 O8'
_chemical_formula_iupac  '[Cu2(C8H16N4O2)(C3N2H4)2(NO3)2]'
_chemical_formula_weight  587.50
_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  7.898(2)
_cell_length_b  10.188(3)
_cell_length_c  7.064(2)
_cell_angle_alpha  95.00(2)
_cell_angle_beta  92.92(2)
_cell_angle_gamma  105.17(2)
_cell_volume  544.9(2)
_cell_formula_units_Z  1
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  1.790
_diffrn_ambient_temperature  293
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_type_symbol
  Cu  .72637(3)  .31724(3)  .32617(4)  .0266 Uani Cu
  O1  .7977(2)  .5162(2)  .4050(3)  .0335 Uani O
  O2  .6183(3)  .2454(2)  .6641(3)  .0499 Uani O
  O3  .6987(3)  .0989(2)  .8259(3)  .0513 Uani O
  O4  .8179(3)  .3152(2)  .8999(4)  .0530 Uani O
  N1  .9666(3)  .3268(2)  .4265(3)  .0268 Uani N
  N2  .6586(3)  .1150(2)  .2515(3)  .0313 Uani N
  N3  .5036(3)  .3406(2)  .2105(3)  .0291 Uani N
  N4  .3087(3)  .4462(2)  .1252(3)  .0334 Uani N
  N5  .7110(3)  .2198(2)  .7947(3)  .0375 Uani N
  C1 1.0493(3)  .4465(2)  .5068(3)  .0264 Uani C
  C2 1.0538(3)  .2171(3)  .4371(4)  .0320 Uani C
  C3  .9622(4)  .0939(3)  .2981(4)  .0330 Uani C
  C4  .7710(3)  .0342(2)  .3338(3)  .0315 Uani C
  C5  .4548(3)  .4555(3)  .2332(4)  .0307 Uani C
  C6  .3793(4)  .2554(3)  .0784(4)  .0361 Uani C
  C7  .2589(4)  .3207(3)  .0247(4)  .0397 Uani C
  H1 1.1695  .2484  .4180  .0432 Uiso H
  H2 1.0523  .1911  .5736  .016 Uiso H
  H3 1.0218  .0249  .3033  .0390 Uiso H
  H4  .9647  .1247  .1649  .0482 Uiso H
  H5  .7500  .0304  .4579  .0371 Uiso H
  H6  .7355  -.0600  .2833  .0456 Uiso H
  H7  .3915  .1919  .0438  .0379 Uiso H
  H8  .1663  .2922  -.0670  .0456 Uiso H
  H9  .2561  .5119  .1198  .0456 Uiso H
  H10  .5084  .5362  .3122  .0432 Uiso H
  H11  .6588  .1120  .1325 3.5972 Uiso H#
  H12  .5579  .0854  .2839 3.5972 Uiso 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
  Cu  .0193(2)  .0245(2)  .0343(2)  -.00030(10)
  -.00470(10)
  .00530(10)
  O1  .0218(8)  .0268(9)  .0500(10)
  -.0024(7)  -.0098(7)  .0071(7)
  O2  .0420(10)
  .069(2)  .0420(10)
  .0110(10)
  .0017(9)  .0200(10)
  O3  .067(2)  .0380(10)
  .0480(10)
  .0042(9)  .0030(10)
  .0120(10)
  O4  .0430(10)
  .0430(10)
  .0700(10)
  -.0020(10)
  -.0130(10)
  .0118(10)
  N1  .0207(10)  .0242(9)  .0350(10)
  .0010(8)  -.0029(8)  .0069(8)
  N2  .0300(10)
  .0270(10)
  .0350(10)
  .0021(8)  -.0068(9)  .0054(9)
  N3  .0222(10)  .0320(10)
  .0320(10)
  .0018(8)  -.0029(8)  .0066(8)
  N4  .0260(10)
  .0400(10)
  .0380(10)
  .0083(9)  .0016(9)  .0144(9)
  N5  .0340(10)
  .0430(10)
  .0360(10)
  .0052(10)  .0073(9)  .0110(10)
  C1  .0200(10)
  .0270(10)
  .0320(10)
  .0034(9)  -.0004(9)  .0066(9)
  C2  .0250(10)
  .0260(10)
  .0450(10)
  .0013(10)  -.0050(10)
  .0087(10)
  C3  .0370(10)
  .0270(10)
  .0370(10)
  -.0010(10)  -.0010(10)
  .0120(10)
  C4  .0360(10)
  .0230(10)
  .0330(10)
  .0024(9)  -.0050(10)
  .0061(10)
  C5  .0250(10)
  .0340(10)
  .0330(10)
  .0027(10)  -.0004(9)  .0087(10)
  C6  .0310(10)
  .0340(10)
  .0400(10)
  -.0060(10)
  -.0090(10)
  .0070(10)
  C7  .0310(10)
  .046(2)  .0380(10)
  .0030(10)
  -.0090(10)
  .0080(10)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Cu O1 . . 1.977(2) yes
  Cu O2 . . 2.673(2) yes
  Cu N1 . . 1.967(2) yes
  Cu N2 . . 2.003(2) yes
  Cu N3 . . 1.982(2) yes
  O1 C1 . 2_766 1.279(3) yes
  O2 N5 . . 1.236(3) n
  O3 N5 . . 1.250(3) n
  O4 N5 . . 1.261(3) n
  N1 C1 . . 1.288(3) yes
  N1 C2 . . 1.463(3) n
  N2 C4 . . 1.488(3) n
  N3 C5 . . 1.324(3) n
  N3 C6 . . 1.381(3) n
  N4 C5 . . 1.328(3) n
  N4 C7 . . 1.358(4) n
  C1 C1 . 2_766 1.504(4) yes
  C2 C3 . . 1.517(3) n
  C3 C4 . . 1.516(4) n
  C6 C7 . . 1.352(4) n
_cod_database_code 2008545