Poly[[tri-μ3-hydroxido-tris­(μ4-pyridine-2,5-dicarboxyl­ato)trineodymium(III)] monohydrate]

Zhang, Q.; Wang, X.; Wang, S.-T.; Liu, C.-B.; Che, G.-B.

doi:10.1107/S160053681201286X

Volume 68
Part 5
Pages m541-m542
May 2012

Received 1 January 2012
Accepted 24 March 2012
Online 4 April 2012

Key indicators
Single-crystal X-ray study
T = 297 K
Mean (C-C) = 0.005 Å
H completeness 86%
R = 0.019
wR = 0.043
Data-to-parameter ratio = 12.6
Details

Poly[[tri-₃-hydroxido-tris(₄-pyridine-2,5-dicarboxylato)trineodymium(III)] monohydrate]

Qing Zhang,^a Xing Wang,^a Shen-Tang Wang,^a Chun-Bo Liu ^a ^* and Guang-Bo Che ^a

^aSchool of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013, People's Republic of China
Correspondence e-mail: guangbocheujs@yahoo.com.cn

In the title compound, {[Nd₃(C₇H₃NO₄)₃(OH)₃]·H₂O}_n, the Nd^III atom is eight-coordinated by the three O atoms of three asymmetrically [mu] ₃-bridging hydroxide groups, by four carboxylate O atoms of four different pyridine-2,5-dicarboxylate (2,5-pydc) ligands, and by the N atom of a 2,5-pydc ligand. Six Nd atoms are connected by six hydroxide groups, forming an [Nd₆( [mu] ₃-OH)₆] cluster unit of symmetry -3 and a slightly compressed octahedral geometry. Adjacent [Nd₆( [mu] ₃-OH)₆] clusters are connected by the 2,5-pydc ligands, via O and N atoms, forming chains along the c axis. The remaining O atoms of the 2,5-pydc ligands link these chains into a three-dimensional framework. A disordered water molecule, located on a threefold rotation axis at the opposite side of the [Nd₆( [mu] ₃-OH)₆] cluster and exposed to each of the three Nd atoms, completes the structure.

Related literature

For the importance of the 2,5-pyridine dicarboxylate ligand, see: Qin et al. (2005); Song et al. (2005); Huang, Jiang et al. (2008); Huang et al. (2007). For related coordination polymers involving 2,5-pyridine dicarboxylate ligands, see: Aghabozorg et al. (2008); Xu et al. (2008); Colak et al. (2010). For the use of compounds with M-O-M frameworks, see: Huang et al. (2007); Price et al. (2001); Huang, Song et al. (2008); Zhang et al. (2009).

Experimental

Crystal data

[Nd₃(C₇H₃NO₄)₃(OH)₃]·H₂O
M_r = 997.07
Hexagonal, $[R \overline 3]$
a = 23.081 (3) Å
c = 8.9690 (18) Å
V = 4138.0 (12) Å³
Z = 6
Mo K radiation
= 5.65 mm^-1
T = 297 K
0.16 × 0.15 × 0.11 mm

Data collection

Bruker SMART CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2002) T_min = 0.421, T_max = 0.538
3454 measured reflections
1679 independent reflections
1558 reflections with I > 2(I)
R_int = 0.018

Refinement

R[F² > 2(F²)] = 0.019
wR(F²) = 0.043
S = 1.10
1679 reflections
133 parameters
H atoms treated by a mixture of independent and constrained refinement
_max = 0.77 e Å^-3
_min = -0.65 e Å^-3

Table 1
Selected bond lengths (Å)

Nd1-O2ⁱ	2.395 (2)
Nd1-O3ⁱⁱ	2.426 (2)
Nd1-O1ⁱⁱⁱ	2.452 (2)
Nd1-O4	2.480 (2)
Nd1-O5	2.482 (2)
Nd1-O5^iv	2.485 (2)
Nd1-O5^v	2.501 (2)
Nd1-N1	2.747 (3)
Symmetry codes: (i) $[-x+y-{\script{1\over 3}}, -x+{\script{1\over 3}}, z+{\script{1\over 3}}]$ ; (ii) y, -x+y, -z; (iii) $[-x+{\script{1\over 3}}, -y+{\script{2\over 3}}, -z+{\script{2\over 3}}]$ ; (iv) x-y, x, -z+1; (v) y, -x+y, -z+1.

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: QK2031 ).

Acknowledgements

The authors thank Jiangsu University for supporting this work.

References

Aghabozorg, H., Derikvand, Z., Nemati, A., Bahrami, Z. & Attar Gharamaleki, J. (2008). Acta Cryst. E64, m111.
Bruker (2002). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Colak, A. T., Yesilel, O. Z. & Büyükgüngör, O. (2010). J. Inorg. Organomet. Polym. 20, 26-31.
Huang, Y. G., Jiang, F. L., Yuan, D. Q., Wu, M. Y., Gao, Q., Wei, W. & Hong, M. C. (2008). Cryst. Growth Des. 8, 166-168.
Huang, Y., Song, Y. S., Yan, B. & Shao, M. (2008). J. Solid State Chem. 181, 1731-1737.
Huang, Y. G., Wu, B. L., Yuan, D. Q., Xu, Y. Q., Jiang, F. L. & Hong, M. C. (2007). Inorg. Chem. 46, 1171-1176.
Price, D. J., Tripp, S., Powell, A. K. & Wood, P. T. (2001). Chem. Eur. J. 7, 200-208.
Qin, C., Wang, X. L., Wang, E. B. & Su, Z. M. (2005). Inorg. Chem. 44, 7122-7129.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Song, Y. S., Yan, B. & Chen, Z. X. (2005). J. Mol. Struct. 750, 101-108.
Xu, H.-Y., Ma, H.-L., Xu, M.-T., Zhao, W.-X. & Guo, B.-G. (2008). Acta Cryst. E64, m413.
Zhang, L., Li, Z. J., Lin, Q. P., Qin, Y. Y., Zhang, J., Yin, P. X., Cheng, J. K. & Yao, Y. G. (2009). Inorg. Chem. 48, 6517-6525.

metal-organic compounds

Poly[[tri-3-hydroxido-tris(4-pyridine-2,5-dicarboxylato)trineodymium(III)] monohydrate]