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Volume 67 
Part 8 
Page m1104  
August 2011  

Received 21 June 2011
Accepted 11 July 2011
Online 16 July 2011

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.010 Å
R = 0.075
wR = 0.221
Data-to-parameter ratio = 16.4
Details
Open access

[mu]-Oxido-bis{bis[(pentafluorophenyl)methanolato]([eta]5-pentamethylcyclopentadienyl)titanium(IV)}

aDepartment of Chemistry, Chonnam National University, Gwangju 500-757, Republic of Korea, and bDepartment of Chemistry, Chungbuk National University, Cheongju, Chungbuk 361-763, Republic of Korea
Correspondence e-mail: ykim@chungbuk.ac.kr

The dinuclear title complex, [Ti2(C10H15)2(C7H2F5O)4O], features two TiIV atoms bridged by an O atom. Each Ti atom is bonded to a [eta]5-pentamethylcyclopentadienyl ring, two (pentafluorophenyl)methanolate anions and to the bridging O atom. The environment around each Ti atom can be considered as a distorted tetrahedron.

Related literature

For related titanium complexes, Cp*Ti(OCH2C6F5)3 and Cp*Ti(OC6F5)3, see: Lee et al. (2007[Lee, J., Do, Y. & Kim, Y. (2007). J. Organomet. Chem. 692, 3593-3598.]). For other related structures, see: Gowik et al. (1990[Gowik, P., Klaotke, T. & Pickardt, J. (1990). J. Organomet. Chem. 393, 343-348.]); Thewalt & Schomburg (1977[Thewalt, U. & Schomburg, D. (1977). J. Organomet. Chem. 127, 169-174.]). For the use of dinuclear titanium complexes containing a cyclopentadienyl ligand in organometallic catalysis, see: Noh et al. (2006[Noh, S. K., Jung, W., Oh, H., Lee, Y. R. & Lyoo, W. S. (2006). J. Organomet. Chem. 691, 5000-5006.]); Wu et al. (2009[Wu, Q. L., Li, G. H., Ye, L., Gao, W. & Mu, Y. (2009). Polyhedron, 26, 3063-3068.]); Yoon et al. (2011[Yoon, S. W., Kim, Y., Kim, S. K., Kim, S. Y., Do, Y. & Park, S. (2011). Macromol. Chem. Phys. 212, 785-789.]).

[Scheme 1]

Experimental

Crystal data
  • [Ti2(C10H15)2(C7H2F5O)4O]

  • Mr = 1170.58

  • Monoclinic, P 21 /n

  • a = 11.371 (2) Å

  • b = 16.113 (3) Å

  • c = 27.340 (6) Å

  • [beta] = 90.75 (3)°

  • V = 5008.8 (17) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.44 mm-1

  • T = 293 K

  • 0.15 × 0.12 × 0.10 mm

Data collection
  • Bruker SMART 1K CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2004[Bruker (2004). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.94, Tmax = 0.96

  • 28465 measured reflections

  • 11233 independent reflections

  • 5333 reflections with I > 2[sigma](I)

  • Rint = 0.042

Refinement
  • R[F2 > 2[sigma](F2)] = 0.075

  • wR(F2) = 0.221

  • S = 1.03

  • 11233 reflections

  • 686 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.33 e Å-3

  • [Delta][rho]min = -0.37 e Å-3

Data collection: SMART (Bruker, 2004[Bruker (2004). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2004[Bruker (2004). SMART, SAINT and SADABS. 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: ORTEP-3 (Farrugia, 1997[Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.]); software used to prepare material for publication: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: LR2018 ).


Acknowledgements

This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MEST) (2010-0003141).

References

Bruker (2004). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.  [CrossRef] [details]
Gowik, P., Klaotke, T. & Pickardt, J. (1990). J. Organomet. Chem. 393, 343-348.  [CrossRef] [ChemPort]
Lee, J., Do, Y. & Kim, Y. (2007). J. Organomet. Chem. 692, 3593-3598.  [CrossRef] [ChemPort]
Noh, S. K., Jung, W., Oh, H., Lee, Y. R. & Lyoo, W. S. (2006). J. Organomet. Chem. 691, 5000-5006.  [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Thewalt, U. & Schomburg, D. (1977). J. Organomet. Chem. 127, 169-174.  [CrossRef] [ChemPort]
Wu, Q. L., Li, G. H., Ye, L., Gao, W. & Mu, Y. (2009). Polyhedron, 26, 3063-3068.  [CrossRef]
Yoon, S. W., Kim, Y., Kim, S. K., Kim, S. Y., Do, Y. & Park, S. (2011). Macromol. Chem. Phys. 212, 785-789.  [CrossRef] [ChemPort]


Acta Cryst (2011). E67, m1104  [ doi:10.1107/S1600536811027814 ]

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