#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/88/2008887.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_2008887
loop_
_publ_author_name
'Zhang, Cungen'
'Yu, Kaibei'
'Wu, Dan'
'Zhao, Chengxue'
_publ_section_title
;
A maleato-bridged dinuclear bipyridine-containing
  zinc(II) complex
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1470
_journal_page_last               1472
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          '[Zn2(C4H2O4)2(C10H8N2)2(H2O)2] , 2H2O'
_chemical_formula_moiety         'C28 H28 N4 O12 Zn2'
_chemical_formula_sum            'C28 H28 N4 O12 Zn2'
_chemical_formula_weight         743.28
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 103.280(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.485(2)
_cell_length_b                   10.804(2)
_cell_length_c                   19.567(3)
_cell_measurement_temperature    290(2)
_cell_volume                     2980.3(8)
_diffrn_ambient_temperature      17(2)
_exptl_crystal_density_diffrn    1.657
_exptl_crystal_density_meas      1.66
_[local]_cod_cif_authors_sg_H-M  'C 2/c'
_[local]_cod_chemical_formula_sum_orig 'C28 H28 N4 O12 Zn2 '
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2008887
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'
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
Zn 0.03134(13) 0.02562(12) 0.02281(11) 0.00191(10) 0.00437(8) 0.00283(9)
O1 0.0373(7) 0.0354(7) 0.0246(6) -0.0062(6) 0.0081(6) -0.0009(5)
O2 0.0530(9) 0.0358(8) 0.0382(8) -0.0048(7) 0.0177(7) -0.0087(6)
O3 0.0300(7) 0.0332(7) 0.0429(8) 0.0033(6) 0.0057(6) 0.0054(6)
O4 0.0492(9) 0.0356(8) 0.0542(9) 0.0033(7) 0.0076(7) 0.0181(7)
O5 0.0413(9) 0.0365(8) 0.0338(7) -0.0013(8) 0.0025(7) -0.0006(7)
O6 0.0450(9) 0.0385(9) 0.0457(9) -0.0010(8) 0.0083(7) 0.0008(8)
N1 0.0364(9) 0.0317(8) 0.0241(8) -0.0006(7) 0.0075(7) 0.0013(6)
N2 0.0361(9) 0.0284(8) 0.0285(8) 0.0036(7) 0.0093(7) 0.0032(6)
C1 0.0553(13) 0.0312(10) 0.0340(11) -0.0057(10) 0.0146(10) 0.0010(9)
C2 0.0648(15) 0.0401(12) 0.0425(12) -0.0168(11) 0.0147(11) -0.0096(10)
C3 0.0626(15) 0.0557(14) 0.0334(11) -0.0192(12) 0.0038(11) -0.0105(11)
C4 0.0519(13) 0.0526(13) 0.0272(10) -0.0066(11) 0.0000(9) 0.0022(9)
C5 0.0286(9) 0.0387(10) 0.0256(9) -0.0017(9) 0.0072(7) 0.0028(8)
C6 0.0302(9) 0.0345(10) 0.0274(9) 0.0027(8) 0.0081(7) 0.0050(8)
C7 0.0561(14) 0.0461(13) 0.0321(11) 0.0107(11) 0.0119(10) 0.0109(9)
C8 0.070(2) 0.0395(12) 0.0472(13) 0.0170(12) 0.0190(12) 0.0192(10)
C9 0.072(2) 0.0308(11) 0.0519(13) 0.0087(11) 0.0265(12) 0.0047(10)
C10 0.0538(13) 0.0316(11) 0.0342(10) 0.0048(9) 0.0149(9) 0.0009(8)
C11 0.0333(10) 0.0243(9) 0.0310(9) 0.0070(8) 0.0075(8) 0.0048(8)
C12 0.0285(9) 0.0344(10) 0.0361(10) 0.0066(8) 0.0095(8) 0.0040(8)
C13 0.0299(10) 0.0341(10) 0.0405(11) 0.0013(8) 0.0142(8) 0.0043(9)
C14 0.0364(11) 0.0300(10) 0.0256(9) 0.0030(8) 0.0067(8) 0.0005(8)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_type_symbol
Zn 0.213764(14) 0.43712(2) 0.411050(10) 0.02689(8) Uani Zn
O1 0.10902(9) 0.35470(12) 0.44723(6) 0.0323(3) Uani O
O2 0.11982(11) 0.45332(12) 0.54962(7) 0.0412(3) Uani O
O3 0.17220(9) 0.16823(12) 0.56605(7) 0.0358(3) Uani O
O4 0.09153(10) 0.01695(13) 0.60204(8) 0.0470(4) Uani O
O5 0.26005(13) 0.54646(14) 0.50282(8) 0.0382(3) Uani O
O6 0.09053(13) 0.0745(2) 0.41052(9) 0.0434(4) Uani O
N1 0.16619(11) 0.35759(15) 0.31002(8) 0.0306(3) Uani N
N2 0.17242(11) 0.59258(14) 0.34669(8) 0.0307(3) Uani N
C1 0.1654(2) 0.2358(2) 0.29637(10) 0.0394(5) Uani C
H1 0.1891(2) 0.1811(2) 0.33287(10) 0.047 Uiso H
C2 0.1302(2) 0.1894(2) 0.22973(11) 0.0488(6) Uani C
H2 0.1294(2) 0.1046(2) 0.22157(11) 0.059 Uiso H
C3 0.0968(2) 0.2696(2) 0.17616(11) 0.0517(6) Uani C
H3 0.0734(2) 0.2400(2) 0.13087(11) 0.062 Uiso H
C4 0.0978(2) 0.3954(2) 0.18937(10) 0.0453(5) Uani C
H4 0.0749(2) 0.4513(2) 0.15332(10) 0.054 Uiso H
C5 0.13358(13) 0.4365(2) 0.25756(9) 0.0308(4) Uani C
C6 0.13941(13) 0.5692(2) 0.27762(9) 0.0305(4) Uani C
C7 0.1143(2) 0.6642(2) 0.22937(11) 0.0445(5) Uani C
H7 0.0924(2) 0.6469(2) 0.18184(11) 0.053 Uiso H
C8 0.1222(2) 0.7852(2) 0.25307(12) 0.0512(6) Uani C
H8 0.1055(2) 0.8503(2) 0.22154(12) 0.061 Uiso H
C9 0.1550(2) 0.8087(2) 0.32343(12) 0.0497(6) Uani C
H9 0.1601(2) 0.8894(2) 0.34035(12) 0.060 Uiso H
C10 0.1803(2) 0.7097(2) 0.36851(11) 0.0391(5) Uani C
H10 0.2038(2) 0.7255(2) 0.41605(11) 0.047 Uiso H
C11 0.08536(13) 0.3742(2) 0.50509(9) 0.0295(4) Uani C
C12 0.00345(13) 0.3007(2) 0.51745(10) 0.0327(4) Uani C
H12 -0.05641(13) 0.3357(2) 0.50224(10) 0.039 Uiso H
C13 0.00739(13) 0.1908(2) 0.54787(10) 0.0339(4) Uani C
H13 -0.04929(13) 0.1560(2) 0.55317(10) 0.041 Uiso H
C14 0.09580(13) 0.1191(2) 0.57411(9) 0.0307(4) Uani C
H5A 0.216(2) 0.525(3) 0.5227(14) 0.074(10) Uiso H
H5B 0.3013(17) 0.514(2) 0.5210(12) 0.040(8) Uiso H
H6A 0.0936(19) 0.139(2) 0.4210(14) 0.057(9) Uiso H
H6B 0.0332(17) 0.050(2) 0.4031(12) 0.051(7) Uiso H
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
Zn O3 7_556 1.9709(13) yes
Zn O1 . 2.0223(13) yes
Zn N2 . 2.1021(15) yes
Zn N1 . 2.120(2) yes
Zn O5 . 2.125(2) yes
O1 C11 . 1.273(2) yes
O2 C11 . 1.241(2) yes
O3 C14 . 1.269(2) yes
O3 Zn 7_556 1.9709(13) yes
O4 C14 . 1.239(2) yes
N1 C5 . 1.334(2) no
N1 C1 . 1.342(2) no
N2 C10 . 1.332(2) no
N2 C6 . 1.350(2) no
C1 C2 . 1.381(3) no
C2 C3 . 1.360(3) no
C3 C4 . 1.382(3) no
C4 C5 . 1.389(3) no
C5 C6 . 1.483(3) no
C6 C7 . 1.386(3) no
C7 C8 . 1.383(3) no
C8 C9 . 1.373(3) no
C9 C10 . 1.381(3) no
C11 C12 . 1.492(3) no
C12 C13 . 1.324(3) no
C13 C14 . 1.484(3) no