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Volume 69 
Part 3 
Pages m162-m163  
March 2013  

Received 23 November 2012
Accepted 30 January 2013
Online 20 February 2013

Key indicators
Single-crystal X-ray study
T = 173 K
Mean [sigma](C-C) = 0.006 Å
R = 0.029
wR = 0.061
Data-to-parameter ratio = 15.5
Details
Open access

(Butane-1,2,3,4-tetraol-[kappa]3O1,O2,O3)(ethanol-[kappa]O)tris(nitrato-[kappa]2O,O')holmium(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: xyz@pku.edu.cn

In the title HoIII-erythritol complex, [Ho(NO3)3(C4H10O4)(C2H5OH)], the HoIII cation is chelated by a tridentate erythritol ligand and three bidentate nitrate anions. An ethanol molecule further coordinates the HoIII cation, completing the irregular O10 coordination geometry. In the crystal, an extensive O-H...O hydrogen-bond network 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.]).

[Scheme 1]

Experimental

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

  • Mr = 519.15

  • Monoclinic, P 21 /c

  • a = 7.7501 (16) Å

  • b = 12.783 (3) Å

  • c = 15.164 (3) Å

  • [beta] = 100.35 (3)°

  • V = 1477.8 (5) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 5.44 mm-1

  • T = 173 K

  • 0.26 × 0.19 × 0.19 mm

Data collection
  • Rigaku Saturn724+ CCD diffractometer

  • Absorption correction: multi-scan (CrystalClear; Rigaku, 2007[Rigaku (2007). CrystalClear. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.25, Tmax = 0.36

  • 10146 measured reflections

  • 3376 independent reflections

  • 3198 reflections with I > 2[sigma](I)

  • Rint = 0.038

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

  • wR(F2) = 0.061

  • S = 1.19

  • 3376 reflections

  • 218 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 1.11 e Å-3

  • [Delta][rho]min = -0.83 e Å-3

Table 1
Selected bond lengths (Å)

Ho1-O1 2.367 (3)
Ho1-O2 2.373 (3)
Ho1-O3 2.473 (3)
Ho1-O5 2.364 (3)
Ho1-O6 2.443 (3)
Ho1-O7 2.444 (3)
Ho1-O9 2.449 (3)
Ho1-O10 2.497 (3)
Ho1-O12 2.590 (3)
Ho1-O13 2.445 (3)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1-H1...O4i 0.84 1.86 2.665 (4) 161
O2-H2...O12ii 0.84 1.99 2.794 (4) 159
O3-H3...O10iii 0.84 2.08 2.914 (4) 177
O4-H4...O14iv 0.84 2.12 2.894 (4) 153
O5-H5...O8v 0.84 2.03 2.863 (4) 169
Symmetry codes: (i) -x+2, -y, -z; (ii) [-x+2, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]; (iii) [-x+2, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]; (iv) x+1, y, z; (v) -x+2, -y, -z+1.

Data collection: CrystalClear (Rigaku, 2007[Rigaku (2007). CrystalClear. Rigaku Corporation, 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: XU5656 ).


Acknowledgements

The work was supported financially by the National Natural Science Foundation of China (grant Nos. 50973003 and 21001009) and 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

Gyurcsik, B. & Nagy, L. (2000). Coord. Chem. Rev. 203, 81-148.  [ISI] [CrossRef] [ChemPort]
Rigaku (2007). CrystalClear. Rigaku Corporation, 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, m162-m163   [ doi:10.1107/S160053681300305X ]

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