(IUCr) Poly[[mu]2-hydroxido-[mu]4-sulfato-neodymium(III)]

Volume 64
Part 8
Page i49
August 2008

Received 2 July 2008
Accepted 13 July 2008
Online 19 July 2008

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (Nd-O) = 0.004 Å
R = 0.023
wR = 0.057
Data-to-parameter ratio = 10.1
Details

Poly[₂-hydroxido-₄-sulfato-neodymium(III)]

Tao Zhang ^a and Jingmei Lu ^a ^*

^aSchool of Life Sciences, Northeast Normal University, Changchun 130024, People's Republic of China
Correspondence e-mail: jingmeilu@yahoo.cn

The title compound, [Nd(OH)(SO₄)]_n, was obtained hydrothermally from an aqueous solution of neodymium nitrate, 1,2-propanediamine and sulfuric acid. The structure features nonacoordinated neodymium with sulfate and hydroxide anions acting as bridging ligands. The OH group forms a weak O-HO hydrogen bond with an OO distance of 3.224 (5) Å.

Related literature

For related literature, see: Doran et al. (2002); Xu, Ding, Zhou & Liu (2006); Xu, Ding, Feng et al. (2006); Xu et al. (2007); Yuan et al. (2004); Zhang et al. (2004); Ding et al. (2006).

Experimental

Crystal data

[Nd(OH)(SO₄)]
M_r = 257.31
Monoclinic, P 2₁ /n
a = 4.4678 (9) Å
b = 12.432 (2) Å
c = 6.8575 (13) Å
= 106.324 (3)°
V = 365.53 (12) Å³
Z = 4
Mo K radiation
= 14.66 mm^-1
T = 293 (2) K
0.10 × 0.08 × 0.06 mm

Data collection

Bruker APEXII CCD diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 2003) T_min = 0.322, T_max = 0.473 (expected range = 0.282-0.415)
1837 measured reflections
675 independent reflections
669 reflections with I > 2(I)
R_int = 0.013

Refinement

R[F² > 2(F²)] = 0.022
wR(F²) = 0.056
S = 1.24
675 reflections
67 parameters
1 restraint
H atoms treated by a mixture of independent and constrained refinement
_max = 0.56 e Å^-3
_min = -2.27 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O5-H1O1ⁱ	0.83 (3)	2.43 (3)	3.224 (5)	160 (6)
Symmetry code: (i) $[-x+{\script{1\over 2}}, y+{\script{1\over 2}}, -z+{\script{3\over 2}}]$ .

Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT (Bruker, 2005); 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: BR2079 ).

Acknowledgements

The authors thank Dr Zhang for help with the structural analysis.

References

Bruker (2005). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconson, USA.
Ding, S.-H., Sun, X.-C., Zhu, Y.-L., Chen, Q. & Xu, Y. (2006). Acta Cryst. E62, i269-i271.
Doran, M., Norquist, A. & O'Hare, D. (2002). Chem. Commun. pp. 2946-2947.
Sheldrick, G. M. (2003). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Xu, Y., Ding, S.-H., Feng, W.-J., Zhou, G.-P. & Liu, Y.-G. (2006). Acta Cryst. E62, i147-i149.
Xu, Y., Ding, S. & Zheng, X. (2007). J. Solid State Chem. 2180, 2020-2025.
Xu, Y., Ding, S.-H., Zhou, G.-P. & Liu, Y.-G. (2006). Acta Cryst. E62, m1749-m1750.
Yuan, Y., Song, J. & Mao, J. (2004). Inorg. Chem. Commun. 7, 24-26.
Zhang, Q., Lu, C., Yang, W., Chen, S. & Yu, Y. (2004). Inorg. Chem. Commun. 7, 889-892.

inorganic compounds

Poly[2-hydroxido-4-sulfato-neodymium(III)]