Poly[diaqua­(μ2-oxalato-κ4O1,O2:O1′,O2′)(μ2-pyrazine-2-carboxyl­ato-κ4N1,O:O,O′)neodymium(III)]

Chen, K.-C.; Luo, H.-M.; Meng, Q.-H.; Luo, Y.-F.; Zeng, R.-H.

doi:10.1107/S1600536809031250

Volume 65
Part 9
Pages m1065-m1066
September 2009

Received 29 July 2009
Accepted 7 August 2009
Online 12 August 2009

Key indicators
Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.011 Å
R = 0.051
wR = 0.132
Data-to-parameter ratio = 10.4
Details

Poly[diaqua(₂-oxalato-⁴O¹,O²:O^1',O^2')(₂-pyrazine-2-carboxylato-⁴N¹,O:O,O')neodymium(III)]

Ke-Chun Chen,^a Huan-Mian Luo,^a Qiu-Hui Meng,^a Yi-Fan Luo ^a ^* and Rong-Hua Zeng ^a,^b

^aSchool of Chemistry and Environment, South China Normal University, Guangzhou 510006, People's Republic of China, and ^bKey Laboratory of the Technology of Electrochemical Energy Storage and Power Generation in Guangdong Universities, South China Normal University, Guangzhou 510006, People's Republic of China
Correspondence e-mail: luoyf2004@yahoo.com.cn

In the title complex, [Nd(C₅H₃N₂O₂)(C₂O₄)(H₂O)₂]_n, the Nd^III atom is ten-coordinated by one N atom and three O atoms from two pyrazine-2-carboxylate ligands, four O atoms from two oxalate ligands and two water molecules in a distorted bicapped square-antiprismatic geometry. The two crystallographically independent oxalate ligands, each lying on an inversion center, act as bridging ligands, linking Nd atoms into an extended zigzag chain. Neighboring chains are linked by the pyrazine-2-carboxylate ligands into a two-dimensional layerlike network in the (10 $[\overline{1}]$ ) plane. The layers are further connected by O-HO and O-HN hydrogen bonds, forming a three-dimensional supramolecular network.

Related literature

For general background to lanthanide coordination frameworks, see: Han et al. (2009); Li et al. (2006); Wang et al. (2006); Zhou et al. (2006).

Experimental

Crystal data

[Nd(C₅H₃N₂O₂)(C₂O₄)(H₂O)₂]
M_r = 391.39
Triclinic, $[P \overline 1]$
a = 7.948 (3) Å
b = 8.6512 (18) Å
c = 8.7425 (18) Å
= 115.525 (2)°
= 101.970 (3)°
= 96.306 (3)°
V = 517.0 (2) Å³
Z = 2
Mo K radiation
= 5.06 mm^-1
T = 296 K
0.23 × 0.19 × 0.17 mm

Data collection

Bruker APEXII CCD diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T_min = 0.320, T_max = 0.420
2533 measured reflections
1824 independent reflections
1756 reflections with I > 2(I)
R_int = 0.065

Refinement

R[F² > 2(F²)] = 0.051
wR(F²) = 0.132
S = 1.08
1824 reflections
175 parameters
6 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 1.95 e Å^-3
_min = -2.98 e Å^-3

Table 1
Selected bond lengths (Å)

Nd1-O2W	2.467 (5)
Nd1-O3	2.474 (5)
Nd1-O6ⁱ	2.490 (5)
Nd1-O4ⁱⁱ	2.508 (5)
Nd1-O5	2.512 (5)
Nd1-O1W	2.549 (6)
Nd1-O2ⁱⁱⁱ	2.557 (5)
Nd1-O2	2.573 (5)
Nd1-N1ⁱⁱⁱ	2.765 (6)
Nd1-O1	2.885 (6)
Symmetry codes: (i) -x+1, -y+1, -z+1; (ii) -x+2, -y+2, -z+2; (iii) -x+2, -y+1, -z+2.

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O1W-H1WO1^iv	0.84 (9)	2.02 (6)	2.707 (8)	139 (7)
O1W-H2WO6^v	0.85 (8)	2.07 (4)	2.838 (8)	152 (6)
O2W-H3WN2^vi	0.84 (5)	2.50 (5)	3.229 (9)	145 (6)
O2W-H4WO4^vii	0.84 (8)	2.13 (4)	2.872 (8)	147 (7)
Symmetry codes: (iv) -x+2, -y+1, -z+1; (v) x+1, y, z; (vi) x-1, y, z; (vii) x, y-1, z.

Data collection: APEX2 (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: HY2217 ).

Acknowledgements

The authors acknowledge the Chan Xue Yan Cooperative Special Project of Guangdong Province and the Ministry of Science and Technology of PRC (project No. 2007A090302046) and the Project of Science and Technology of Guangdong Province (project No. 2007A020200002-4) for supporting this work.

References

Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Han, L., Meng, Q.-H., Hao, J.-D., Luo, Y.-F. & Zeng, R.-H. (2009). Acta Cryst. E65, m76.
Li, P., Gu, W., Zhang, L.-Z., Qu, J., Ma, Z.-P., Liu, X. & Liao, D.-Z. (2006). Inorg. Chem. 45, 10425-10427.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Wang, Z., Shen, X., Wang, J., Zhang, P., Li, Y., Nfor, E. N., Song, Y., Ohkoshi, S., Hashimoto, K. & You, X. (2006). Angew. Chem. Int. Ed. 45, 3287-3291.
Zhou, Y., Hong, M. & Wu, X. (2006). Chem. Commun. pp. 135-143.

metal-organic compounds

Poly[diaqua(2-oxalato-4O1,O2:O1',O2')(2-pyrazine-2-carboxylato-4N1,O:O,O')neodymium(III)]