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Volume 70 
Part 1 
Page m16  
January 2014  

Received 3 December 2013
Accepted 6 December 2013
Online 14 December 2013

Key indicators
Single-crystal X-ray study
T = 150 K
Mean [sigma](C-C) = 0.002 Å
R = 0.024
wR = 0.069
Data-to-parameter ratio = 19.4
Details
Open access

Bis([mu]2-iso­propyl­imido-[kappa]2N:N)bis­[([eta]5-cyclo­penta­dien­yl)(ethenolato-[kappa]O)titanium(IV)]

aLeibniz-Institut für Katalyse e. V. an der Universität Rostock, Albert-Einstein-Strasse 29a, 18059 Rostock, Germany
Correspondence e-mail: martin.haehnel@catalysis.de

The title dinuclear half-sandwich complex, [CpTi(OCH=CH2)([mu]2-N-iPr)]2 (Cp = cyclo­penta­dien­yl; iPr = isopropyl), was ob­tained from the reaction of Cp2TiCl2, n-butyl­lithium and iso­propyl­amine in tetra­hydro­furan. Each TiIV atom is coordinated by one Cp ligand, one vin­yloxy unit and two bridging imido groups in a strongly distorted tetra­hedral geometry. There are two half mol­ecules in the asymmetric unit, such that whole mol­ecules being generated by inversion symmetry.

Related literature

For other Ti complexes with both Cp' (Cp' = substituted or unsubstituted Cp) ligands and an enolate unit with a terminal =CH2 group, see: Curtis et al. (1984[Curtis, M. D., Thanedar, S. & Butler, W. M. (1984). Organometallics, 3, 1855-1859.]); Veya et al. (1993[Veya, P., Floriani, C., Chiesi-Villa, A. & Rizzoli, C. (1993). Organometallics, 12, 4892-4898.]); Beckhaus et al. (1994[Beckhaus, R., Strauß, I. & Wagner, T. (1994). J. Organomet. Chem. 464, 155-161.]); Schwartz et al. (1996[Schwartz, D. J., Smith, M. R. III & Andersen, R. A. (1996). Organometallics, 15, 1446-1450.]). For selected examples of half-sandwich CpTi complexes with [mu]2-bridging imido ligands, see: Vroegop et al. (1983[Vroegop, C. T., Teuben, J. H., van Bolhuis, F. & van der Linden, J. G. M. (1983). J. Chem. Soc. Chem. Commun. pp. 550-552.]); Grigsby et al. (1996[Grigsby, W. J., Olmstead, M. M. & Power, P. P. (1996). J. Organomet. Chem. 513, 173-180.]); Ascenso et al. (2001[Ascenso, J. R., de Azevedo, C. G., Dias, A. R., Duarte, M. T., Eleutério, I., Ferreira, M. J., Gomes, P. T. & Martins, A. M. (2001). J. Organomet. Chem. 632, 17-26.]); Tsurugi et al. (2011[Tsurugi, H., Nagae, H. & Mashima, K. (2011). Chem. Commun. 47, 5620-5622.]).

[Scheme 1]

Experimental

Crystal data
  • [Ti2(C5H5)2(C3H7N)2(C2H3O)2]

  • Mr = 426.26

  • Monoclinic, P 21 /n

  • a = 13.8746 (4) Å

  • b = 9.7484 (2) Å

  • c = 16.3264 (4) Å

  • [beta] = 106.593 (2)°

  • V = 2116.27 (9) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.77 mm-1

  • T = 150 K

  • 0.50 × 0.40 × 0.25 mm

Data collection
  • Stoe IPDS II diffractometer

  • 32869 measured reflections

  • 4625 independent reflections

  • 4211 reflections with I > 2[sigma](I)

  • Rint = 0.031

Refinement
  • R[F2 > 2[sigma](F2)] = 0.024

  • wR(F2) = 0.069

  • S = 1.05

  • 4625 reflections

  • 239 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.41 e Å-3

  • [Delta][rho]min = -0.37 e Å-3

Data collection: X-AREA (Stoe & Cie, 2005[Stoe & Cie (2005). X-AREA. Stoe & Cie, Darmstadt, Germany.]); cell refinement: X-AREA; data reduction: X-AREA; 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: XP in 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: PK2508 ).


References

Ascenso, J. R., de Azevedo, C. G., Dias, A. R., Duarte, M. T., Eleutério, I., Ferreira, M. J., Gomes, P. T. & Martins, A. M. (2001). J. Organomet. Chem. 632, 17-26.  [CSD] [CrossRef] [ChemPort]
Beckhaus, R., Strauß, I. & Wagner, T. (1994). J. Organomet. Chem. 464, 155-161.  [CSD] [CrossRef] [ChemPort]
Curtis, M. D., Thanedar, S. & Butler, W. M. (1984). Organometallics, 3, 1855-1859.  [CSD] [CrossRef] [ChemPort]
Grigsby, W. J., Olmstead, M. M. & Power, P. P. (1996). J. Organomet. Chem. 513, 173-180.  [CSD] [CrossRef] [ChemPort]
Schwartz, D. J., Smith, M. R. III & Andersen, R. A. (1996). Organometallics, 15, 1446-1450.  [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Stoe & Cie (2005). X-AREA. Stoe & Cie, Darmstadt, Germany.
Tsurugi, H., Nagae, H. & Mashima, K. (2011). Chem. Commun. 47, 5620-5622.  [CSD] [CrossRef] [ChemPort]
Veya, P., Floriani, C., Chiesi-Villa, A. & Rizzoli, C. (1993). Organometallics, 12, 4892-4898.  [CSD] [CrossRef] [ChemPort]
Vroegop, C. T., Teuben, J. H., van Bolhuis, F. & van der Linden, J. G. M. (1983). J. Chem. Soc. Chem. Commun. pp. 550-552.  [CrossRef] [Web of Science]


Acta Cryst (2014). E70, m16  [ doi:10.1107/S1600536813033072 ]

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