[Journal logo]

Volume 64 
Part 1 
Page i1  
January 2008  

Received 14 October 2007
Accepted 22 November 2007
Online 6 December 2007


[Cited in]
[Download citation]

© International Union of Crystallography 2008

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](Ce-O) = 0.003 Å
R = 0.027
wR = 0.067
Data-to-parameter ratio = 10.2
Details

Redetermination of dicerium(III) tris(sulfate) tetrahydrate

Xin Xua*

aHeavy Oil Company, Liaohe Petroleum Filiale, China National Petroleum Corporation (CNPC), Shiyou Street No. 96, Panjin, 124010, People's Republic of China
Correspondence e-mail: yanxchem@yahoo.com.cn

Ce2(SO4)3(H2O)4 was obtained hydrothermally from an aqueous solution of cerium(III) oxide, trimethylamine and sulfuric acid. The precision of the structure determination has been significantly improved compared with the previous result [Dereigne (1972[Dereigne, A. (1972). Bull. Soc. Fr. Mineral. Cristallogr. 95, 269-280.]). Bull. Soc. Fr. Mineral. Cristallogr. 95, 269-280]. The coordination about the two Ce atoms is achieved by seven and six bridging O atoms from sulfate anions. Each S atom makes four S-O-Ce linkages through bridging O atoms. The coordination sphere of each Ce is completed by two water molecules, which act as terminal ligands.

Related literature

For related literature, see: Doran et al. (2002[Doran, M., Norquist, A. & O'Hare, D. (2002). Chem. Commun. pp. 2946-2947.]); Li et al. (1998[Li, H., Eddaoudi, M., Richardson, D. A. & Yaghi, O. M. (1998). J. Am. Chem. Soc. 120, 8567-8568.]); Plévert et al. (2001[Plévert, J., Gentz, T. M., Laine, A., Li, H., Young, V. G., Yaghi, O. M. & O'Keeffe, M. (2001). J. Am. Chem. Soc. 123, 12706-12707.]); Shi (1987[Shi, B. (1987). Jiegouhuaxue, 6, 70-72.]); Xu, Cheng & You (2006[Xu, Y., Cheng, L. & You, W. (2006). Inorg. Chem. 45, 7705-7708.]); Xu, Ding et al. (2006[Xu, Y., Ding, S.-H., Zhou, G.-P. & Liu, Y.-G. (2006). Acta Cryst. E62, m1749-m1750.]); Yuan et al. (2004[Yuan, Y., Song, J. & Mao, J. (2004). Inorg. Chem. Commun. 7, 24-26.]); Zhang et al. (2004[Zhang, Q., Lu, C., Yang, W., Chen, S. & Yu, Y. (2004). Inorg. Chem. Commun. 7, 889-892.]). For the previous structure determination, see: Dereigne (1972[Dereigne, A. (1972). Bull. Soc. Fr. Mineral. Cristallogr. 95, 269-280.]).

Experimental

Crystal data

  • Ce2(SO4)3(H2O)4

  • Mr = 640.48

  • Monoclinic, P 21 /n

  • a = 13.1257 (14) Å

  • b = 7.2520 (8) Å

  • c = 13.3823 (14) Å

  • [beta] = 92.5720 (10)°

  • V = 1272.5 (2) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 7.65 mm-1

  • T = 293 (2) K

  • 0.13 × 0.12 × 0.10 mm
Data collection

  • Bruker APEX2 CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 2003[Sheldrick, G. M. (2003). SADABS. University of Göttingen, Germany.]) Tmin = 0.437, Tmax = 0.515 (expected range = 0.394-0.466)

  • 5923 measured reflections

  • 2201 independent reflections

  • 2071 reflections with I > 2[sigma](I)

  • Rint = 0.032
Refinement

  • R[F2 > 2[sigma](F2)] = 0.027

  • wR(F2) = 0.067

  • S = 1.09

  • 2201 reflections

  • 215 parameters

  • 16 restraints

  • Only H-atom coordinates refined

  • [Delta][rho]max = 1.12 e Å-3

  • [Delta][rho]min = -2.16 e Å-3

Table 1
Selected geometric parameters (Å, °)

Ce1-O10 2.449 (2)
Ce1-O7 2.465 (3)
Ce1-O12i 2.476 (4)
Ce1-O11ii 2.517 (3)
Ce1-O4W 2.524 (3)
Ce1-O3 2.547 (3)
Ce1-O3i 2.621 (3)
Ce1-O1W 2.647 (3)
Ce1-O11 2.710 (3)
Ce2-O1iii 2.354 (3)
Ce2-O4iv 2.430 (3)
Ce2-O5iii 2.470 (3)
Ce2-O6v 2.489 (3)
Ce2-O3W 2.494 (3)
Ce2-O2W 2.497 (3)
Ce2-O9 2.529 (4)
Ce2-O8 2.659 (3)
O10-Ce1-O3 150.11 (9)
O3-Ce1-O11 53.24 (9)
Symmetry codes: (i) -x+1, -y, -z+2; (ii) -x+1, -y+1, -z+2; (iii) [x-{\script{1\over 2}}, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]; (iv) -x, -y, -z+2; (v) -x, -y+1, -z+2.

Data collection: APEX2 (Bruker, 2005[Bruker (2005). SAINT and APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2005[Bruker (2005). SAINT and APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a[Sheldrick, G. M. (1997a). SHELXS97 and SHELXL97. University of Göttingen, Germany.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a[Sheldrick, G. M. (1997a). SHELXS97 and SHELXL97. University of Göttingen, Germany.]); molecular graphics: SHELXTL (Sheldrick, 1997b[Sheldrick, G. M. (1997b). SHELXTL. Version 5.10. Bruker AXS Inc., Madison, Wisconsin, USA.]); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: FI2049 ).

Acknowledgements

The author is grateful to Dr Zhang for help with collecting the diffraction data.

References

Bruker (2005). SAINT and APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.
Dereigne, A. (1972). Bull. Soc. Fr. Mineral. Cristallogr. 95, 269-280.  [ChemPort]
Doran, M., Norquist, A. & O'Hare, D. (2002). Chem. Commun. pp. 2946-2947.  [CrossRef]
Li, H., Eddaoudi, M., Richardson, D. A. & Yaghi, O. M. (1998). J. Am. Chem. Soc. 120, 8567-8568.  [CrossRef] [ChemPort]
Plévert, J., Gentz, T. M., Laine, A., Li, H., Young, V. G., Yaghi, O. M. & O'Keeffe, M. (2001). J. Am. Chem. Soc. 123, 12706-12707.  [CrossRef] [PubMed] [ChemPort]
Sheldrick, G. M. (1997a). SHELXS97 and SHELXL97. University of Göttingen, Germany.
Sheldrick, G. M. (1997b). SHELXTL. Version 5.10. Bruker AXS Inc., Madison, Wisconsin, USA.
Sheldrick, G. M. (2003). SADABS. University of Göttingen, Germany.
Shi, B. (1987). Jiegouhuaxue, 6, 70-72.  [ChemPort]
Xu, Y., Cheng, L. & You, W. (2006). Inorg. Chem. 45, 7705-7708.  [CrossRef] [PubMed] [ChemPort]
Xu, Y., Ding, S.-H., Zhou, G.-P. & Liu, Y.-G. (2006). Acta Cryst. E62, m1749-m1750.  [CrossRef] [details]
Yuan, Y., Song, J. & Mao, J. (2004). Inorg. Chem. Commun. 7, 24-26.  [CrossRef] [ChemPort]
Zhang, Q., Lu, C., Yang, W., Chen, S. & Yu, Y. (2004). Inorg. Chem. Commun. 7, 889-892.  [CrossRef] [ChemPort]

Acta Cryst (2008). E64, i1  [ doi:10.1107/S1600536807062368 ]