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Volume 64 
Part 10 
Pages m1282-m1283  
October 2008  

Received 20 August 2008
Accepted 11 September 2008
Online 20 September 2008

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Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.005 Å
R = 0.019
wR = 0.050
Data-to-parameter ratio = 11.4
Details
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Poly[diaqua([mu]2-oxalato-[kappa]4O1,O2:O1',O2')([mu]2-pyrazine-2-carboxylato-[kappa]3N1,O:O')cerium(III)]

Yuanlan Wanga and Chongchen Wangb*

aResearch Institute of Applied Chemistry, Central South University of Forestry and Technology, 412006 Zhuzhou, Hunan, People's Republic of China, and bSchool of Environmental and Energy Engineering, Beijing University of Civil Engineering and Architecture, 100044 Beijing, People's Republic of China
Correspondence e-mail: chongchenwang@126.com

In the hydrothermally synthesized title compound, [Ce(C5H3N2O2)(C2O4)(H2O)2]n, the CeIII ion is coordinated by four O atoms from two different oxalate ligands, three O atoms from two symmetry-related pyrazine-2-carboxylate ligands, two O atoms from two water melecules and one N atom from a pyrazine-2-carboxylate ligand in a distorted bicapped square-antiprismatic coordination geometry. The oxalate and pyrazine-2-carboxylate ligands bridge the CeIII ions, forming a two-dimensional structure. In addition, intermolecular O-H...O and O-H...N hydrogen bonds connect the two-dimensional structure into a three-dimensional network.

Related literature

For background information, see: Eliseeva et al. (2004[Eliseeva, S. V., Mirzov, O. V., Troyanov, S. I., Vitukhnovsky, A. G. & Kuzmina, N. P. (2004). J. Alloys Compd, 374, 293-297.]); Wang et al. (2007[Wang, X. F., Lv, Y., Okamura, T., Kawaguchi, H., Wu, G. Y. & Ueyama, N. (2007). Cryst. Growth Des. 7, 1125-1133.]); Zou et al. (1999[Zou, J. Z., Xu, Z., Chen, W., Lo, K. M. & You, X. Z. (1999). Polyhedron, 18, 1507-1512.]); Zheng et al. (2002[Zheng, X. J., Jin, L. P. & Lu, S. Z. (2002). Eur. J. Inorg. Chem. pp. 3356-3363.]).

[Scheme 1]

Experimental

Crystal data

  • [Ce(C5H3N2O2)(C2O4)(H2O)2]

  • Mr = 387.27

  • Triclinic, [P \overline 1]

  • a = 8.0298 (7) Å

  • b = 8.7161 (9) Å

  • c = 8.8201 (9) Å

  • [alpha] = 115.514 (2)°

  • [beta] = 101.747 (1)°

  • [gamma] = 95.999 (1)°

  • V = 532.38 (9) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 4.31 mm-1

  • T = 298 (2) K

  • 0.24 × 0.15 × 0.10 mm
Data collection

  • Bruker SMART CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.424, Tmax = 0.672

  • 2790 measured reflections

  • 1858 independent reflections

  • 1760 reflections with I > 2[sigma](I)

  • Rint = 0.013
Refinement

  • R[F2 > 2[sigma](F2)] = 0.019

  • wR(F2) = 0.049

  • S = 1.09

  • 1858 reflections

  • 163 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.68 e Å-3

  • [Delta][rho]min = -0.94 e Å-3

Table 1
Selected bond lengths (Å)

Ce1-O8 2.506 (2)
Ce1-O4i 2.521 (2)
Ce1-O5 2.530 (2)
Ce1-O3 2.538 (2)
Ce1-O6ii 2.540 (2)
Ce1-O1 2.578 (2)
Ce1-O7 2.595 (3)
Ce1-O1iii 2.614 (2)
Ce1-N1 2.815 (3)
Ce1-O2iii 2.897 (3)
Symmetry codes: (i) -x+1, -y+2, -z+3; (ii) -x, -y+1, -z+2; (iii) -x+1, -y+1, -z+3.

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O7-H7A...O5iv 0.85 2.10 2.836 (4) 145
O7-H7B...O2v 0.85 1.94 2.738 (4) 156
O8-H8A...N2vi 0.85 1.96 2.799 (4) 169
O8-H8B...O3iii 0.85 2.05 2.873 (3) 163
Symmetry codes: (iii) -x+1, -y+1, -z+3; (iv) -x+1, -y+1, -z+2; (v) x, y, z-1; (vi) x, y-1, z-1.

Data collection: SMART (Bruker, 1996[Bruker. (1996). SMART and SAINT. Bruker AXS inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 1996[Bruker. (1996). SMART and SAINT. Bruker AXS inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: LH2687 ).

Acknowledgements

The authors gratefully acknowledge the financial support of the Research Fund of Beijing University of Civil Engineering and Architecture (grant No. 100700502) and the Funding Project for Academic Human Resources Development in Institutions of Higher Learning Under the Jurisdiction of Beijing Municipality (grant No. BJE10016200611).

References

Bruker. (1996). SMART and SAINT. Bruker AXS inc., Madison, Wisconsin, USA.
Eliseeva, S. V., Mirzov, O. V., Troyanov, S. I., Vitukhnovsky, A. G. & Kuzmina, N. P. (2004). J. Alloys Compd, 374, 293-297.  [ChemPort]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Wang, X. F., Lv, Y., Okamura, T., Kawaguchi, H., Wu, G. Y. & Ueyama, N. (2007). Cryst. Growth Des. 7, 1125-1133.  [CrossRef] [ChemPort]
Zheng, X. J., Jin, L. P. & Lu, S. Z. (2002). Eur. J. Inorg. Chem. pp. 3356-3363.  [CrossRef]
Zou, J. Z., Xu, Z., Chen, W., Lo, K. M. & You, X. Z. (1999). Polyhedron, 18, 1507-1512.  [ISI] [CSD] [CrossRef] [ChemPort]

Acta Cryst (2008). E64, m1282-m1283   [ doi:10.1107/S1600536808029164 ]

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