μ-Oxido-bis­{bis­[(penta­fluoro­phen­yl)methano­lato](η5-penta­methyl­cyclo­penta­dien­yl)titanium(IV)}

Lee, J.; Kim, Y.

doi:10.1107/S1600536811027814

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 (C-C) = 0.010 Å
R = 0.075
wR = 0.221
Data-to-parameter ratio = 16.4
Details

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

Junseong Lee ^a and Youngjo Kim ^b ^*

^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 Ti^IV 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). For other related structures, see: Gowik et al. (1990); Thewalt & Schomburg (1977). For the use of dinuclear titanium complexes containing a cyclopentadienyl ligand in organometallic catalysis, see: Noh et al. (2006); Wu et al. (2009); Yoon et al. (2011).

Experimental

Crystal data

[Ti₂(C₁₀H₁₅)₂(C₇H₂F₅O)₄O]
M_r = 1170.58
Monoclinic, P 2₁ /n
a = 11.371 (2) Å
b = 16.113 (3) Å
c = 27.340 (6) Å
= 90.75 (3)°
V = 5008.8 (17) Å³
Z = 4
Mo K radiation
= 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) T_min = 0.94, T_max = 0.96
28465 measured reflections
11233 independent reflections
5333 reflections with I > 2(I)
R_int = 0.042

Refinement

R[F² > 2(F²)] = 0.075
wR(F²) = 0.221
S = 1.03
11233 reflections
686 parameters
H-atom parameters constrained
_max = 0.33 e Å^-3
_min = -0.37 e Å^-3

Data collection: SMART (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

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.
Gowik, P., Klaotke, T. & Pickardt, J. (1990). J. Organomet. Chem. 393, 343-348.
Lee, J., Do, Y. & Kim, Y. (2007). J. Organomet. Chem. 692, 3593-3598.
Noh, S. K., Jung, W., Oh, H., Lee, Y. R. & Lyoo, W. S. (2006). J. Organomet. Chem. 691, 5000-5006.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Thewalt, U. & Schomburg, D. (1977). J. Organomet. Chem. 127, 169-174.
Wu, Q. L., Li, G. H., Ye, L., Gao, W. & Mu, Y. (2009). Polyhedron, 26, 3063-3068.
Yoon, S. W., Kim, Y., Kim, S. K., Kim, S. Y., Do, Y. & Park, S. (2011). Macromol. Chem. Phys. 212, 785-789.

metal-organic compounds

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