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Volume 69 
Part 10 
Pages m554-m555  
October 2013  

Received 3 July 2013
Accepted 17 September 2013
Online 21 September 2013

Key indicators
Single-crystal X-ray study
T = 150 K
Mean [sigma](C-C) = 0.003 Å
R = 0.034
wR = 0.089
Data-to-parameter ratio = 18.4
Details
Open access

Di-[mu]-methanolato-bis[(2-tert-butyl-6-methylphenolato-[kappa]O)methyltitanium(IV)]

aChemistry, Institute of Natural and Mathematical Sciences, Massey University at Albany, PO Box 102904 North Shore Mail Centre, Auckland, New Zealand, and bFormerly Chemistry, Institute of Fundamental Sciences, Massey University at Albany, PO Box 102904 North Shore Mail Centre, Auckland, New Zealand
Correspondence e-mail: a.j.nielson@massey.ac.nz

The molecule of the title compound, [Ti2(CH3)2(CH3O)2(C11H15O)4] or {[Ti(Me)([mu]-OCH3)(OC6H3CMe3-2-Me-6)]2}, has a centrosymmetric, dimeric structure with a distorted square pyramidal array about each titanium atom. The methoxide ligands form an asymmetric bridge between the two TiIV atoms [Ti-O bond lengths of 1.9794 (12) and 2.0603 (12) Å] with the two phenolato ligands occupying the remaining basal sites [Ti-O 1.8218 (11) and 1.8135 (11) Å]. The Ti-O-C phenolato bond angles are similar at 161.24 (10) and 160.66 (11)°. The methyl ligand attached to the metal atom has a Ti-C bond length of 2.0878 (17) Å.

Related literature

For other alkoxy-bridged dialkyl or diphenyl bis-phenolate dititanium complexes, see: Janas et al. (2004[Janas, Z., Jerzykiewicz, L. B., Przybylak, K., Sobota, P. & Szczegot, K. (2004). Eur. J. Inorg. Chem. pp. 1639-1645.], 2005[Janas, Z., Jerzykiewicz, L. B., Sobota, P., Szczegot, K. & Winiewska, D. (2005). Organometallics, 24, 3987-3994.]); Zhang (2007a[Zhang, D. (2007a). Eur. J. Inorg. Chem. pp. 3077-3082.],b[Zhang, D. (2007b). Organometallics, 26, 4072-4075.]); Kobylka et al. (2007[Kobylka, M. J., Jerzykiewicz, L. B., Patton, J. T., Przybylak, S., Utko, J. & Sobota, P. (2007). Czech. Chem. Commun. 72, 541-559.]). For other alkoxy-bridged bis-phenolato dititanium complexes, see: Ejfler et al. (2004[Ejfler, J., Kobylka, M., Hojniak, M. & Sobota, P. (2004). J. Mol. Catal. 224, 93-96.]). For insertion of oxygen into a terminal Ti-Me bond to give a [mu]-methoxy ligand, see: Zhang (2007a[Zhang, D. (2007a). Eur. J. Inorg. Chem. pp. 3077-3082.]. For general phenolato and alkylato complexes, see; Bradley et al. (1978[Bradley, D. C., Mehrotra, R. C. & Gaur, D. P. (1978). In Metal Alkoxides. New York: Academic Press.]). For bis-phenolato complexes of titanium containing 2-(1,1-dimethylethyl) and 6-methyl subsituents, see: Nielson et al. (2005[Nielson, A. J., Shen, C., Schwerdtfeger, P. & Waters, J. M. (2005). Eur. J. Inorg. Chem. pp. 1343-1352.]); Santora et al. (1999[Santora, B. P., White, P. S. & Gagne, M. R. (1999). Organometallics, 18, 2557-2560.]). For some crystal structures of titanium complexes containing terminal and bridging phenolato ligands, see: Gowda et al. (2009[Gowda, R. R., Chakraborty, D. & Ramkumar, V. (2009). Eur. J. Inorg. Chem. pp. 2981-2993.]); Nielson et al. (2006[Nielson, A. J., Shen, C. & Waters, J. M. (2006). Polyhedron, 25, 2039-2054.]); Svetich & Voge (1972[Svetich, G. W. & Voge, A. A. (1972). Acta Cryst. B28, 1760-1767.]).

[Scheme 1]

Experimental

Crystal data
  • [Ti2(CH3)2(CH3O)2(C11H15O)4]

  • Mr = 840.80

  • Monoclinic, P 21 /c

  • a = 15.127 (3) Å

  • b = 11.067 (2) Å

  • c = 15.821 (3) Å

  • [beta] = 115.71 (3)°

  • V = 2386.4 (8) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 0.38 mm-1

  • T = 150 K

  • 0.48 × 0.20 × 0.18 mm

Data collection
  • Siemens SMART diffractometer

  • Absorption correction: multi-scan (Blessing, 1995[Blessing, R. H. (1995). Acta Cryst. A51, 33-38.]) Tmin = 0.834, Tmax = 0.953

  • 13277 measured reflections

  • 4844 independent reflections

  • 4113 reflections with I > 2[sigma](I)

  • Rint = 0.022

Refinement
  • R[F2 > 2[sigma](F2)] = 0.034

  • wR(F2) = 0.089

  • S = 1.04

  • 4844 reflections

  • 263 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.30 e Å-3

  • [Delta][rho]min = -0.30 e Å-3

Data collection: SMART (Siemens, 1995[Siemens (1995). SAINT and SMART. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Siemens, 1995[Siemens (1995). SAINT and SMART. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS93 (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: ORTEP-3 for Windows (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: GG2122 ).


Acknowledgements

We are grateful to Massey University for the award of a Post-Doctoral Fellowship to CS and to Ms T. Groutso of the University of Auckland for the data collection.

References

Blessing, R. H. (1995). Acta Cryst. A51, 33-38.  [CrossRef] [IUCr Journals]
Bradley, D. C., Mehrotra, R. C. & Gaur, D. P. (1978). In Metal Alkoxides. New York: Academic Press.
Ejfler, J., Kobylka, M., Hojniak, M. & Sobota, P. (2004). J. Mol. Catal. 224, 93-96.  [Web of Science] [CrossRef] [ChemPort]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Gowda, R. R., Chakraborty, D. & Ramkumar, V. (2009). Eur. J. Inorg. Chem. pp. 2981-2993.  [Web of Science] [CSD] [CrossRef]
Janas, Z., Jerzykiewicz, L. B., Przybylak, K., Sobota, P. & Szczegot, K. (2004). Eur. J. Inorg. Chem. pp. 1639-1645.  [Web of Science] [CSD] [CrossRef]
Janas, Z., Jerzykiewicz, L. B., Sobota, P., Szczegot, K. & Winiewska, D. (2005). Organometallics, 24, 3987-3994.  [CSD] [CrossRef] [ChemPort]
Kobylka, M. J., Jerzykiewicz, L. B., Patton, J. T., Przybylak, S., Utko, J. & Sobota, P. (2007). Czech. Chem. Commun. 72, 541-559.  [ChemPort]
Nielson, A. J., Shen, C., Schwerdtfeger, P. & Waters, J. M. (2005). Eur. J. Inorg. Chem. pp. 1343-1352.  [Web of Science] [CSD] [CrossRef]
Nielson, A. J., Shen, C. & Waters, J. M. (2006). Polyhedron, 25, 2039-2054.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Santora, B. P., White, P. S. & Gagne, M. R. (1999). Organometallics, 18, 2557-2560.  [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Siemens (1995). SAINT and SMART. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.
Svetich, G. W. & Voge, A. A. (1972). Acta Cryst. B28, 1760-1767.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Zhang, D. (2007a). Eur. J. Inorg. Chem. pp. 3077-3082.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Zhang, D. (2007b). Organometallics, 26, 4072-4075.  [CSD] [CrossRef] [ChemPort]


Acta Cryst (2013). E69, m554-m555   [ doi:10.1107/S1600536813025634 ]

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