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Volume 69 
Part 5 
Pages m257-m258  
May 2013  

Received 23 November 2012
Accepted 23 March 2013
Online 13 April 2013

Key indicators
Single-crystal X-ray study
T = 173 K
Mean [sigma](C-C) = 0.006 Å
R = 0.031
wR = 0.063
Data-to-parameter ratio = 15.4
Details
Open access

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

aBeijing 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,bChemical Engineering College, Inner Mongolia University of Technology, 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

In the title ErIII-erythritol complex, [Er(NO3)3(C2H5OH)(C4H10O4)], the ErIII cation is chelated by one erythritol molecule, three nitrate anions and an ethanol molecule, completing an irregular ErO10 coordination geometry. The Er-O bond lengths are in the range 2.348 (3)-2.583 (3) Å. In the crystal, extensive O-H...O hydrogen bonding links the molecules into a three-dimensional supramolecular structure.

Related literature

For crystal structures of related lanthanide nitrate-erythritol complexes, see: Gyurcsik & Nagy (2000[Gyurcsik, B. & Nagy, L. (2000). Coord. Chem. Rev. 203, 81-148.]); 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.]). For the isotypic HoIII complex, see: 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.]). For the structure of erythritol, see: Bekoe & Powell (1959[Bekoe, A. & Powell, H. M. (1959). Proc. R. Soc. London Ser. A, 250, 301-315.]).

[Scheme 1]

Experimental

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

  • Mr = 521.48

  • Monoclinic, P 21 /c

  • a = 7.7521 (16) Å

  • b = 12.772 (3) Å

  • c = 15.121 (3) Å

  • [beta] = 100.26 (3)°

  • V = 1473.3 (5) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 5.78 mm-1

  • T = 173 K

  • 0.23 × 0.20 × 0.06 mm

Data collection
  • Rigaku Saturn724+ CCD diffractometer

  • Absorption correction: multi-scan (CrystalClear; Rigaku, 2007[Rigaku (2007). CrystalClear. Rigaku Inc., Tokyo, Japan.]) Tmin = 0.12, Tmax = 0.35

  • 10846 measured reflections

  • 3359 independent reflections

  • 3174 reflections with I > 2[sigma](I)

  • Rint = 0.035

Refinement
  • R[F2 > 2[sigma](F2)] = 0.031

  • wR(F2) = 0.063

  • S = 1.20

  • 3359 reflections

  • 218 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 1.46 e Å-3

  • [Delta][rho]min = -0.62 e Å-3

Table 1
Selected bond lengths (Å)

Er1-O1 2.348 (3)
Er1-O2 2.368 (3)
Er1-O3 2.463 (3)
Er1-O5 2.352 (3)
Er1-O6 2.438 (3)
Er1-O7 2.434 (3)
Er1-O9 2.583 (3)
Er1-O10 2.428 (3)
Er1-O12 2.436 (3)
Er1-O13 2.489 (3)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1-H1...O4i 0.84 1.83 2.666 (4) 173
O2-H2...O9ii 0.84 1.97 2.795 (4) 167
O3-H3...O13iii 0.84 2.08 2.917 (4) 175
O4-H4...O11iv 0.84 2.07 2.897 (5) 169
O5-H5...O8v 0.84 2.09 2.865 (4) 154
Symmetry codes: (i) -x+1, -y+2, -z+1; (ii) [-x+1, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]; (iii) [-x+1, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]; (iv) x-1, y, z; (v) -x+1, -y+2, -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: SHELXTL; software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: XU5657 ).


Acknowledgements

The work was supported financially by the National Natural Science Foundation of China (grant Nos. 50973003 and 21001009), the National High-Tech R&D Program of China (863 Program) of MOST (No. 2010AA03A406). Special thanks to Dr X. Hao, L. Wang, and T.-L. 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]
Gyurcsik, B. & Nagy, L. (2000). Coord. Chem. Rev. 203, 81-148.  [ISI] [CrossRef] [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] [ChemPort] [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, m257-m258   [ doi:10.1107/S1600536813008003 ]

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