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Volume 66 
Part 11 
Page m1399  
November 2010  

Received 29 September 2010
Accepted 7 October 2010
Online 13 October 2010

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Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.004 Å
Disorder in main residue
R = 0.037
wR = 0.100
Data-to-parameter ratio = 14.0
Details
Open access

Tris[2-ethoxy-6-(methyliminomethyl)phenolato-[kappa]2N,O1]cobalt(III) monohydrate

Yin Dan Huang,a Shu-Hua Zhang,a* Jiang Ke Qinb* and Fu Li Chena

aCollege of Chemistry and Bioengineering, Guilin University of Technology, Key Laboratory of Non-ferrous Metal Materials and Processing Technology, Ministry of Education, Guilin 541004, People's Republic of China, and bSchool of Chemistry and Chemical Engineering, Guangxi Normal University, Guilin 541004, People's Republic of China
Correspondence e-mail: zsh720108@163.com,

In the title compound, [Co(C10H12NO2)3]·H2O, the CoIII ion is coordinated by three O atoms and three N atoms from three bidentate 2-ethoxy-6-(methyliminomethyl)phenolate ligands in a slightly distorted octahedral environment. The water molecule connects two ligands by O-H...O hydrogen bonds. One terminal methyl group is disordered over two positions, with site-occupancy factors of 0.412 (15) and 0.588 (15).

Related literature

For CoIII complexes, see: Park et al. (2008[Park, J., Lang, K., Abboud, K. A. & Hong, S. (2008). J. Am. Chem. Soc. 130, 16484-16485.]); Galezowski et al. (2008[Galezowski, W., Kuta, J. & Kozlowski, P. M. (2008). J. Phys. Chem. B, 112, 3177-3183.]); Gupta et al. (2007[Gupta, S. K., Hitchcock, P. B., Kushwah, Y. S. & Argal, G. S. (2007). Inorg. Chim. Acta, 360, 2145-2152.]). For Schiff-base compounds, see: Gupta & Sutar (2008[Gupta, K. C. & Sutar, A. K. (2008). Coord. Chem. Rev. 252, 1420-1450.]); Sreenivasulu et al. (2005[Sreenivasulu, B., Vetrichelvan, M., Zhao, F., Gao, S. & Vittal, J. J. (2005). Eur. J. Inorg. Chem. pp. 4635-4645.]); Zhang & Feng (2010[Zhang, S. H. & Feng, C. (2010). J. Mol. Struct. 977, 62-66.]); Zhang et al. (2010[Zhang, S. H., Song, Y., Liang, H. & Zeng, M. H. (2009). CrystEngComm, 11, 865-872.]).

[Scheme 1]

Experimental

Crystal data

  • [Co(C10H12NO2)3]·H2O

  • Mr = 611.56

  • Monoclinic, P 21 /n

  • a = 14.022 (5) Å

  • b = 16.969 (6) Å

  • c = 14.233 (5) Å

  • [beta] = 117.857 (4)°

  • V = 2994.1 (17) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.62 mm-1

  • T = 296 K

  • 0.42 × 0.20 × 0.09 mm
Data collection

  • Bruker SMART CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.860, Tmax = 0.944

  • 21931 measured reflections

  • 5317 independent reflections

  • 3929 reflections with I > 2[sigma](I)

  • Rint = 0.035
Refinement

  • R[F2 > 2[sigma](F2)] = 0.037

  • wR(F2) = 0.100

  • S = 1.01

  • 5317 reflections

  • 379 parameters

  • 12 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.31 e Å-3

  • [Delta][rho]min = -0.21 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1W-H1WA...O3 0.85 2.01 2.821 (3) 159
O1W-H1WB...O6 0.85 2.24 3.038 (3) 155

Data collection: SMART (Bruker, 2004[Bruker (2004). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2004[Bruker (2004). SMART and SAINT. 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: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BT5367 ).

Acknowledgements

The work was supported financially by the Guangxi Key Laboratory for Advanced Materials and New Preparation Technology (No. 0842003-25), the Young Science Foundation of Guangxi Province of China (No. 0832085) and the Doctoral start-up research fund of Guilin University of Technology.

References

Bruker (2004). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Galezowski, W., Kuta, J. & Kozlowski, P. M. (2008). J. Phys. Chem. B, 112, 3177-3183.  [CrossRef] [PubMed] [ChemPort]
Gupta, S. K., Hitchcock, P. B., Kushwah, Y. S. & Argal, G. S. (2007). Inorg. Chim. Acta, 360, 2145-2152.  [ISI] [CSD] [CrossRef] [ChemPort]
Gupta, K. C. & Sutar, A. K. (2008). Coord. Chem. Rev. 252, 1420-1450.  [ISI] [CrossRef] [ChemPort]
Park, J., Lang, K., Abboud, K. A. & Hong, S. (2008). J. Am. Chem. Soc. 130, 16484-16485.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Sreenivasulu, B., Vetrichelvan, M., Zhao, F., Gao, S. & Vittal, J. J. (2005). Eur. J. Inorg. Chem. pp. 4635-4645.  [ISI] [CSD] [CrossRef]
Zhang, S. H. & Feng, C. (2010). J. Mol. Struct. 977, 62-66.  [ISI] [CrossRef] [ChemPort]
Zhang, S. H., Song, Y., Liang, H. & Zeng, M. H. (2009). CrystEngComm, 11, 865-872.  [ISI] [CSD] [CrossRef]

Acta Cryst (2010). E66, m1399  [ doi:10.1107/S1600536810040043 ]

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