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. 2015 Apr 9;71(Pt 5):459-62.
doi: 10.1107/S2056989015006520. eCollection 2015 May 1.

Crystal structure of poly[μ2-aqua-aqua-(μ2-4-nitro-2,5,6-trioxo-1,2,5,6-tetra-hydro-pyridin-3-olato)hemi-μ4-oxalato-barium(II)]

Rusul Alabada  1 , Olga Kovalchukova  2 , Irina Polyakova  3 , Svetlana Strashnova  2 , Vladimir Sergienko  3
Affiliations

Crystal structure of poly[μ2-aqua-aqua-(μ2-4-nitro-2,5,6-trioxo-1,2,5,6-tetra-hydro-pyridin-3-olato)hemi-μ4-oxalato-barium(II)]

Rusul Alabada et al. Acta Crystallogr E Crystallogr Commun. .

Abstract

In the title coordination polymer, [Ba(C5HN2O6)(C2O4)0.5(H2O)2] n , the tenfold coordination of the Ba centre consists of four O atoms from the two 4-nitro-2,5,6-trioxo-1,2,5,6-tetra-hydro-pyridin-3-olate (L) anions, three O atoms of two oxalate anions and three water mol-ecules. The Ba-O bond lengths fall in the range 2.698 (3)-2.978 (3) Å. The L ligand chelates two Ba atoms related by a screw axis, leading to formation of fused five- and six-membered chelate rings. Due to the bridging function of the ligands and water mol-ecules, the complex monomers are connected into polymeric two-dimensional layers parallel to the bc plane. Inter-molecular O-H⋯O hydrogen bonds link these layers into a three-dimensional supra-molecular framework.

Keywords: barium(II) compound; crystal structure; oxalate; two-dimensional coordination polymer.

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Figures

Figure 1
Figure 1
View of (I), showing the atom-labelling scheme and 50% probability displacement ellipsoids. [Symmetry codes: (i) −x, y + formula image, −z + formula image; (ii) −x, −y + 1, −z + 1; (iii) −x, y − formula image, −z + formula image.]
Figure 2
Figure 2
One-dimensional polymeric chain in (I). Oxalato ligands omitted for clarity.
Figure 3
Figure 3
two-dimensional polymeric layer in (I) viewed approximately along the a axis.
See this image and copyright information in PMC

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