Poly[[tetra­aquadi-μ4-fumarato-μ2-oxalato-dierbium(III)] tetra­hydrate]

Yang, Q.-F.; Wang, X.-Z.; Xue, P.

doi:10.1107/S160053681205026X

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 (C-C) = 0.006 Å
R = 0.018
wR = 0.045
Data-to-parameter ratio = 15.7
Details

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

Qing-Feng Yang,^a ^* Xiao-Zhong Wang ^b and Ping Xue ^a

^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 O_water-HO hydrogen bonds involving both the coordinating and lattice water molecules.

Related literature

For lanthanide-metal complexes containing fumarate ligands, see: Zhang et al. (2006). For lanthanide-containing structures with metal-organic frameworks and two different flexible carboxylate ligands, see: Zhang et al. (2008); Zhu et al. (2007).

Experimental

Crystal data

[Er₂(C₄H₂O₄)₂(C₂O₄)(H₂O)₄]·4H₂O
M_r = 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 radiation
= 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) T_min = 0.305, T_max = 0.402
9284 measured reflections
1162 independent reflections
1088 reflections with I > 2(I)
R_int = 0.022

Refinement

R[F² > 2(F²)] = 0.018
wR(F²) = 0.045
S = 1.11
1162 reflections
74 parameters
H-atom parameters constrained
_max = 0.51 e Å^-3
_min = -1.04 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O4-H4AO5ⁱ	0.85	2.35	3.045 (5)	139
O4-H4BO3ⁱⁱ	0.85	1.91	2.750 (3)	168
O5-H5AO4	0.85	1.99	2.836	180
O5-H5BO2ⁱⁱⁱ	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); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 1999); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

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.
Zhang, L. P., Huang, L., Qu, L. B., Peng, H. & Zhao, Y. F. (2006). J. Mol. Struct. 787, 14-17.
Zhang, X. J., Xing, Y. H., Han, J., Ge, M. F. & Niu, S. Y. (2008). Z. Anorg. Allg. Chem. 634, 1765-1769.
Zhu, W. H., Wang, Z. M. & Gao, S. (2007). Inorg. Chem. 46, 1337-1342.

metal-organic compounds

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