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Volume 69 
Part 4 
Pages m182-m183  
April 2013  

Received 4 December 2012
Accepted 31 January 2013
Online 2 March 2013

Key indicators
Single-crystal X-ray study
T = 173 K
Mean [sigma](C-C) = 0.005 Å
R = 0.029
wR = 0.057
Data-to-parameter ratio = 15.8
Details
Open access

[(2R,3S)-Butane-1,2,3,4-tetraol-[kappa]3O1,O2,O3](ethanol-[kappa]O)tris(nitrato-[kappa]2O,O')samarium(III)

aChemical Engineering College, Inner Mongolia University of Technology, People's Republic of China,bBeijing National Laboratory for Molecular Sciences, The State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing, People's Republic of China, and cState Key Laboratory of Nuclear Physics and Technology, Institute of Heavy Ion Physics, School of Physics, Peking University, Beijing, People's Republic of China
Correspondence e-mail: yanglm@pku.edu.cn

The title SmIII-erythritol complex, [Sm(NO3)3(C2H6O)(C4H10O4)], is isotypic with its Nd, Eu, Y, Gd, Tb and Ho analogues. The SmIII cation exhibits a coordination number of ten and is chelated by a tridentate erythritol ligand and three bidentate nitrate anions. It is additionally coordinated by an O atom of an ethanol molecule, completing an irregular coordination sphere. The Sm-O bond lengths range from 2.416 (2) to 2.611 (2) Å. In the crystal, extensive O-H...O hydrogen bonding involving all hydroxy groups and some of the nitrate O atoms links the molecules into a three-dimensional network.

Related literature

For background to the coordination behaviour of sugars to metal cations, see: Gottschaldt & Schubert (2009[Gottschaldt, M. & Schubert, U. S. (2009). Chem. Eur. J. 15, 1548-1557.]). For the crystal structure of free erythritol, see: Bekoe & Powell (1959[Bekoe, A. & Powell, H. M. (1959). Proc. R. Soc. London Ser. A, 250, 301-315.]). For isotypic structures of the title compound, see: Yang et al. (2003[Yang, L. M., Su, Y. L., Xu, Y. Z., Wang, Z. M., Guo, Z. H., Weng, S. F., Yan, C. H., Zhang, S. W. & Wu, J. G. (2003). Inorg. Chem. 42, 5844-5856.], 2004[Yang, L. M., Su, Y. L., Xu, Y. Z., Zhang, S. W., Wu, J. G. & Zhao, K. (2004). J. Inorg. Biochem. 98, 1251-1260.], 2012[Yang, L. M., Hua, X. H., Xue, J. H., Pan, Q. H., Yu, L., Li, W. H., Xu, Y. Z., Zhao, G. Z., Liu, L. M., Liu, K. X., Chen, J. E. & Wu, J. G. (2012). Inorg. Chem. 51, 499-510.]); Hua et al. (2013[Hua, X.-H., Xue, J.-H., Yang, L.-M., Xu, Y.-Z. & Wu, J.-G. (2013). Acta Cryst. E69, m162-m163.]).

[Scheme 1]

Experimental

Crystal data
  • [Sm(NO3)3(C2H6O)(C4H10O4)]

  • Mr = 504.57

  • Monoclinic, P 21 /c

  • a = 7.8537 (16) Å

  • b = 12.875 (3) Å

  • c = 15.252 (3) Å

  • [beta] = 100.92 (3)°

  • V = 1514.4 (5) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 3.96 mm-1

  • T = 173 K

  • 0.27 × 0.21 × 0.16 mm

Data collection
  • Rigaku Saturn724+ CCD diffractometer

  • Absorption correction: multi-scan (CrystalClear; Rigaku, 2007[Rigaku (2007). CrystalClear. Rigaku Inc., Tokyo, Japan.]) Tmin = 0.488, Tmax = 1.000

  • 10349 measured reflections

  • 3446 independent reflections

  • 3315 reflections with I > 2[sigma](I)

  • Rint = 0.035

Refinement
  • R[F2 > 2[sigma](F2)] = 0.029

  • wR(F2) = 0.057

  • S = 1.22

  • 3446 reflections

  • 218 parameters

  • [Delta][rho]max = 1.33 e Å-3

  • [Delta][rho]min = -0.72 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1-H1...O4i 0.84 1.83 2.668 (3) 175
O2-H2...O7ii 0.84 1.96 2.802 (3) 174
O2-H2...O8ii 0.84 2.54 3.146 (4) 130
O3-H3...O12iii 0.84 2.07 2.903 (3) 174
O4-H4...O8iv 0.84 2.09 2.910 (4) 165
O4-H4...O6iv 0.84 2.55 3.235 (3) 140
O5-H5...O11v 0.84 2.00 2.827 (4) 167
Symmetry codes: (i) -x, -y, -z+1; (ii) [-x, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]; (iii) [-x, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]; (iv) x-1, y, z; (v) -x, -y, -z.

Data collection: CrystalClear (Rigaku, 2007[Rigaku (2007). CrystalClear. Rigaku Inc., Tokyo, Japan.]); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXTL; molecular graphics: XP in SHELXTL; software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2711 ).


Acknowledgements

This work was supported financially by the National Natural Science Foundation of China (grants Nos. 50973003 and 21001009) and the National High-Tech R&D Program of China (863 Program) of MOST (No. 2010 A A03A406). Special thanks to Drs Hao, Wang and Liang for their assistance with the data collection.

References

Bekoe, A. & Powell, H. M. (1959). Proc. R. Soc. London Ser. A, 250, 301-315.  [ChemPort]
Gottschaldt, M. & Schubert, U. S. (2009). Chem. Eur. J. 15, 1548-1557.  [CrossRef] [PubMed] [ChemPort]
Hua, X.-H., Xue, J.-H., Yang, L.-M., Xu, Y.-Z. & Wu, J.-G. (2013). Acta Cryst. E69, m162-m163.  [CrossRef] [ChemPort] [details]
Rigaku (2007). CrystalClear. Rigaku Inc., Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Yang, L. M., Hua, X. H., Xue, J. H., Pan, Q. H., Yu, L., Li, W. H., Xu, Y. Z., Zhao, G. Z., Liu, L. M., Liu, K. X., Chen, J. E. & Wu, J. G. (2012). Inorg. Chem. 51, 499-510.  [ISI] [CSD] [CrossRef] [ChemPort] [PubMed]
Yang, L. M., Su, Y. L., Xu, Y. Z., Wang, Z. M., Guo, Z. H., Weng, S. F., Yan, C. H., Zhang, S. W. & Wu, J. G. (2003). Inorg. Chem. 42, 5844-5856.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Yang, L. M., Su, Y. L., Xu, Y. Z., Zhang, S. W., Wu, J. G. & Zhao, K. (2004). J. Inorg. Biochem. 98, 1251-1260.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]


Acta Cryst (2013). E69, m182-m183   [ doi:10.1107/S1600536813003255 ]

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