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Volume 68 
Part 5 
Pages m578-m579  
May 2012  

Received 16 March 2012
Accepted 31 March 2012
Online 13 April 2012

[zs2190sup1]
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Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.004 Å
R = 0.022
wR = 0.059
Data-to-parameter ratio = 17.5
Details
Open access

Trichloridotris{N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine-[kappa]2N,N'}neodymium(III)

Hua Yanga*

aCollege of Chemistry and Chemical Engineering, Yan'an University, Yan'an, Shaanxi 716000, People's Republic of China
Correspondence e-mail: yanghua7687@163.com

In the title compound, [NdCl3(C12H10N2O)3], the central NdIII ion is nine-coordinated by six N atoms from three bidentate chelate N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine ligands and three Cl- ions, and displays a distorted tricapped trigonal prismatic geometry. The complex molecules are stabilized by intramolecular O-H...Cl hydrogen bonds.

Related literature

For complexes of oximes, see: Kukushkin & Pombeiro (1999[Kukushkin, Y. & Pombeiro, A. J. L. (1999). Coord. Chem. Rev. 181, 147-175.]); Milios et al. (2007[Milios, C. J., Inglis, R., Vinslava, A., Bagai, R., Wernsdorfer, W., Parsons, S., Perlepes, S. P., Christou, G. & Brechin, E. K. (2007). J. Am. Chem. Soc. 129, 12505-12511.]); Fritsky et al. (2004[Fritsky, O., Swiatek-Kozlowska, J., Dobosz, A., Sliva, T. Y. & Dudarenko, N. M. (2004). Inorg. Chim. Acta, 357, 3746-3752.]); Xu et al. (2007[Xu, H. B., Wang, B. W., Pan, F., Wang, Z. M. & Gao, S. (2007). Angew. Chem. Int. Ed. 46, 7388-7392.]); Papatriantafyllopoulou et al. (2009[Papatriantafyllopoulou, C., Estrader, M., Efthymiou, C. G., Dermitzaki, D., Gkotsis, K., Terzis, A., Diaz, C. & Perlepes, S. P. (2009). Polyhedron, 28, 1652-1655.]). For 3d-metal complexes of N-[phenyl(pyridine-2-yl)methylidene]hydroxylamine, see: Milios et al. (2003[Milios, C. J., Kefalloniti, E., Raptopoulou, C. P., Terzis, A., Vicente, R., Lalioti, N., Escuer, A. & Perlepes, S. P. (2003). Chem. Commun. pp. 819-821.]); Milios et al. (2004[Milios, C. J., Stamatatos, T. C., Kyritsis, P., Terzis, A., Raptopoulou, C. P., Vicente, R., Escuer, A. & Perlepes, S. P. (2004). Eur. J. Inorg. Chem. pp. 2885-2901.]). For an Sm complex with this ligand, see: Lei et al. (2012[Lei, T., Chen, W., Chen, Y., Hu, B. & Li, Y. (2012). Acta Cryst. E68, m344-m345.]).

[Scheme 1]

Experimental

Crystal data

  • [NdCl3(C12H10N2O)3]

  • Mr = 845.25

  • Triclinic, [P \overline 1]

  • a = 8.6367 (17) Å

  • b = 10.460 (2) Å

  • c = 19.847 (4) Å

  • [alpha] = 91.87 (3)°

  • [beta] = 94.38 (3)°

  • [gamma] = 92.80 (3)°

  • V = 1784.4 (6) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.72 mm-1

  • T = 293 K

  • 0.31 × 0.18 × 0.13 mm
Data collection

  • Bruker SMART CCD-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2000[Bruker (2000). SADABS, SAINT and SMART. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.617, Tmax = 0.807

  • 30524 measured reflections

  • 7775 independent reflections

  • 7155 reflections with I > 2[sigma](I)

  • Rint = 0.028
Refinement

  • R[F2 > 2[sigma](F2)] = 0.022

  • wR(F2) = 0.059

  • S = 1.04

  • 7775 reflections

  • 445 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.50 e Å-3

  • [Delta][rho]min = -0.44 e Å-3

Table 1
Selected bond lengths (Å)

Nd1-N2 2.604 (2)
Nd1-N1 2.661 (2)
Nd1-N5 2.680 (2)
Nd1-N4 2.6953 (19)
Nd1-N6 2.7018 (19)
Nd1-N3 2.742 (2)
Nd1-Cl3 2.7686 (8)
Nd1-Cl2 2.7903 (9)
Nd1-Cl1 2.8296 (10)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1-H1A...Cl3 0.82 2.22 2.966 (2) 152
O2-H2A...Cl1 0.82 2.19 2.9290 (19) 151
O3-H3A...Cl2 0.82 2.19 2.930 (2) 150

Data collection: SMART (Bruker, 2000[Bruker (2000). SADABS, SAINT and SMART. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2000[Bruker (2000). SADABS, SAINT and SMART. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: ZS2190 ).

Acknowledgements

The author appreciates financial support from Yanan University (grant No. YD2011-20) and the Science and Technology Bureau of Yanan City (grant No. kn2009-16).

References

Bruker (2000). SADABS, SAINT and SMART. Bruker AXS Inc., Madison, Wisconsin, USA.
Fritsky, O., Swiatek-Kozlowska, J., Dobosz, A., Sliva, T. Y. & Dudarenko, N. M. (2004). Inorg. Chim. Acta, 357, 3746-3752.  [ISI] [CSD] [CrossRef] [ChemPort]
Kukushkin, Y. & Pombeiro, A. J. L. (1999). Coord. Chem. Rev. 181, 147-175.  [ISI] [CrossRef] [ChemPort]
Lei, T., Chen, W., Chen, Y., Hu, B. & Li, Y. (2012). Acta Cryst. E68, m344-m345.  [CSD] [CrossRef] [details]
Milios, C. J., Inglis, R., Vinslava, A., Bagai, R., Wernsdorfer, W., Parsons, S., Perlepes, S. P., Christou, G. & Brechin, E. K. (2007). J. Am. Chem. Soc. 129, 12505-12511.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Milios, C. J., Kefalloniti, E., Raptopoulou, C. P., Terzis, A., Vicente, R., Lalioti, N., Escuer, A. & Perlepes, S. P. (2003). Chem. Commun. pp. 819-821.  [CSD] [CrossRef]
Milios, C. J., Stamatatos, T. C., Kyritsis, P., Terzis, A., Raptopoulou, C. P., Vicente, R., Escuer, A. & Perlepes, S. P. (2004). Eur. J. Inorg. Chem. pp. 2885-2901.  [ISI] [CSD] [CrossRef]
Papatriantafyllopoulou, C., Estrader, M., Efthymiou, C. G., Dermitzaki, D., Gkotsis, K., Terzis, A., Diaz, C. & Perlepes, S. P. (2009). Polyhedron, 28, 1652-1655.  [ISI] [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Xu, H. B., Wang, B. W., Pan, F., Wang, Z. M. & Gao, S. (2007). Angew. Chem. Int. Ed. 46, 7388-7392.  [ISI] [CSD] [CrossRef] [ChemPort]

Acta Cryst (2012). E68, m578-m579   [ doi:10.1107/S1600536812014055 ]

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