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Volume 69 
Part 1 
Page m52  
January 2013  

Received 14 November 2012
Accepted 10 December 2012
Online 15 December 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.006 Å
R = 0.018
wR = 0.045
Data-to-parameter ratio = 15.7
Details
Open access

Poly[[tetraaquadi-[mu]4-fumarato-[mu]2-oxalato-dierbium(III)] tetrahydrate]

aKey Laboratory of Energy Resources and Chemical Engineering, Ningxia University, Yinchuan 750021, Ningxia, People's Republic of China, and bCollege of Chemistry and Chemical Engineering, Ningxia University, Yinchuan 750021, Ningxia, People's Republic of China
Correspondence e-mail: yangqf@nxu.edu.cn

The title compound, {[Er2(C4H2O4)2(C2O4)(H2O)4]·4H2O}n, was synthesized by the reaction of erbium nitrate hexahydrate with fumaric acid and oxalic acid under hydrothermal conditions. The Er3+ cation (site symmetry ..2) is eight-coordinated by six O atoms from four fumarate anions (site symmetry ..2) and one bidentate oxalate anion (site symmetry 222), and by two water molecules. The complex exhibits a three-dimensional structure consisting of oxalate pillared Er-fumarate layers with channels occupied by coordinating and lattice water molecules. The three-dimensional structure features by Owater-H...O hydrogen bonds involving both the coordinating and lattice water molecules.

Related literature

For lanthanide-metal complexes containing fumarate ligands, see: Zhang et al. (2006[Zhang, L. P., Huang, L., Qu, L. B., Peng, H. & Zhao, Y. F. (2006). J. Mol. Struct. 787, 14-17.]). For lanthanide-containing structures with metal-organic frameworks and two different flexible carboxylate ligands, see: Zhang et al. (2008[Zhang, X. J., Xing, Y. H., Han, J., Ge, M. F. & Niu, S. Y. (2008). Z. Anorg. Allg. Chem. 634, 1765-1769.]); Zhu et al. (2007[Zhu, W. H., Wang, Z. M. & Gao, S. (2007). Inorg. Chem. 46, 1337-1342.]).

[Scheme 1]

Experimental

Crystal data
  • [Er2(C4H2O4)2(C2O4)(H2O)4]·4H2O

  • Mr = 794.78

  • Orthorhombic, F d d d

  • a = 9.6016 (19) Å

  • b = 15.701 (3) Å

  • c = 26.722 (5) Å

  • V = 4028.5 (14) Å3

  • Z = 8

  • Mo K[alpha] radiation

  • [mu] = 8.38 mm-1

  • T = 293 K

  • 0.19 × 0.16 × 0.13 mm

Data collection
  • Bruker SMART APEX CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.305, Tmax = 0.402

  • 9284 measured reflections

  • 1162 independent reflections

  • 1088 reflections with I > 2[sigma](I)

  • Rint = 0.022

Refinement
  • R[F2 > 2[sigma](F2)] = 0.018

  • wR(F2) = 0.045

  • S = 1.11

  • 1162 reflections

  • 74 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.51 e Å-3

  • [Delta][rho]min = -1.04 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O4-H4A...O5i 0.85 2.35 3.045 (5) 139
O4-H4B...O3ii 0.85 1.91 2.750 (3) 168
O5-H5A...O4 0.85 1.99 2.836 180
O5-H5B...O2iii 0.85 2.36 2.938 (4) 125
Symmetry codes: (i) [-x+{\script{3\over 4}}, y, -z+{\script{3\over 4}}]; (ii) -x+1, -y, -z+1; (iii) [-x+{\script{3\over 2}}, y+{\script{1\over 4}}, z-{\script{1\over 4}}].

Data collection: SMART (Bruker, 2007[Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). 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: DIAMOND (Brandenburg, 1999[Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HG5272 ).


Acknowledgements

This work was supported by the Natural Science Foundation of Ningxia Hui Autonomous Region (No. NZ1150).

References

Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Zhang, L. P., Huang, L., Qu, L. B., Peng, H. & Zhao, Y. F. (2006). J. Mol. Struct. 787, 14-17.  [ISI] [CSD] [CrossRef] [ChemPort]
Zhang, X. J., Xing, Y. H., Han, J., Ge, M. F. & Niu, S. Y. (2008). Z. Anorg. Allg. Chem. 634, 1765-1769.  [CSD] [CrossRef] [ChemPort]
Zhu, W. H., Wang, Z. M. & Gao, S. (2007). Inorg. Chem. 46, 1337-1342.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]


Acta Cryst (2013). E69, m52  [ doi:10.1107/S160053681205026X ]

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