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Volume 67 
Part 5 
Page m629  
May 2011  

Received 11 April 2011
Accepted 18 April 2011
Online 22 April 2011

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Key indicators
Single-crystal X-ray study
T = 150 K
Mean [sigma](C-C) = 0.010 Å
R = 0.034
wR = 0.076
Data-to-parameter ratio = 13.4
Details
Open access

Tris([eta]5-cyclopentadienyl)hafnium(III)

Vladimir V. Burlakov,a Perdita Arndt,b Anke Spannenbergb and Uwe Rosenthalb*

aA. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Vavilov Street 28, 119991 Moscow, Russian Federation, and bLeibniz-Institut für Katalyse e.V. an der Universität Rostock, Albert-Einstein-Strasse 29a, 18059 Rostock, Germany
Correspondence e-mail: uwe.rosenthal@catalysis.de

In the crystal structure of the title compound, [Hf(C5H5)3], three cyclopentadienyl ligands surround the HfIII atom in a trigonal-planar geometry. The molecule lies on a sixfold inversion axis.

Related literature

Isotypic ([eta]5-C5H5)3Zr was described by Lukens & Andersen (1995[Lukens, W. W. Jr & Andersen, R. A. (1995). Organometallics, 14, 3435-3439.]). For ([eta]5-C5H5)3M, M = Y: see Adam et al. (1991[Adam, M., Behrens, U. & Fischer, R. D. (1991). Acta Cryst. C47, 968-971.]); M = Nd: see Eggers et al. (1992a[Eggers, S., Hinrichs, W., Kopf, J., Fischer, R. D. & Xing-Fu, L. (1992a). Private communication (refcode SOVYAD). CCDC, Cambridge, England.]); M = Sm: see Wong et al. (1969[Wong, C.-H., Lee, T.-Y. & Lee, Y.-T. (1969). Acta Cryst. B25, 2580-2587.]), Bel'skii et al. (1991[Bel'skii, V. K., Gun'ko, Y. K., Soloveichik, G. D. & Bulychev, B. M. (1991). Metalloorg. Khim. (Russ.), 4, 577.]), Eggers et al. (1992b[Eggers, S., Hinrichs, W., Kopf, J., Fischer, R. D. & Xing-Fu, L. (1992b). Private communication (refcode CYPESM02). CCDC, Cambridge, England.]); M = Er, Tm: see Eggers et al. (1986[Eggers, S. H., Hinrichs, W., Kopf, J., Jahn, W. & Fischer, R. D. (1986). J. Organomet. Chem. 311, 313-323.]); M = Yb: see Eggers et al. (1987[Eggers, S. H., Kopf, J. & Fischer, R. D. (1987). Acta Cryst. C43, 2288-2290.]); M = Ce, Dy, Ho: see Baisch et al. (2006[Baisch, U., Pagano, S., Zeuner, M., Schmedt auf der Günne, J., Oeckler, O. & Schnick, W. (2006). Organometallics, 25, 3027-3033.]). Unit-cell dimensions of ([eta]5-C5H5)3M (M = Pr, Pm, Sm, Gd, Tb, Tm, Cm, Bk, Cf) were determined by Laubereau & Burns (1970a[Laubereau, P. G. & Burns, J. H. (1970a). Inorg. Chem. 9, 1091-1095.],b[Laubereau, P. G. & Burns, J. H. (1970b). Inorg. Nucl. Chem. Lett. 6, 59-63.]).

[Scheme 1]

Experimental

Crystal data

  • [Hf(C5H5)3]

  • Mr = 373.76

  • Hexagonal, P 63 /m

  • a = 7.9772 (4) Å

  • c = 10.2975 (6) Å

  • V = 567.50 (5) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 9.16 mm-1

  • T = 150 K

  • 0.30 × 0.20 × 0.15 mm
Data collection

  • Stoe IPDS II diffractometer

  • Absorption correction: numerical (X-SHAPE and X-RED32; Stoe & Cie, 2005[Stoe & Cie (2005). X-SHAPE, X-RED32 and X-AREA. Stoe & Cie, Darmstadt, Germany.]) Tmin = 0.150, Tmax = 0.346

  • 7314 measured reflections

  • 362 independent reflections

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

  • Rint = 0.097
Refinement

  • R[F2 > 2[sigma](F2)] = 0.034

  • wR(F2) = 0.076

  • S = 1.22

  • 362 reflections

  • 27 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.95 e Å-3

  • [Delta][rho]min = -3.40 e Å-3

Data collection: X-AREA (Stoe & Cie, 2005[Stoe & Cie (2005). X-SHAPE, X-RED32 and 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: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: NG5148 ).

Acknowledgements

The authors thank the technical staff, in particular Regina Jesse, for assistance. This work was supported by the Deutsche Forschungsgemeinschaft (GRK 1213), and the Russian Foundation for Basic Research (project No. 09-03-00503) is acknowledged.

References

Adam, M., Behrens, U. & Fischer, R. D. (1991). Acta Cryst. C47, 968-971.  [CrossRef] [details]
Baisch, U., Pagano, S., Zeuner, M., Schmedt auf der Günne, J., Oeckler, O. & Schnick, W. (2006). Organometallics, 25, 3027-3033.  [ChemPort]
Bel'skii, V. K., Gun'ko, Y. K., Soloveichik, G. D. & Bulychev, B. M. (1991). Metalloorg. Khim. (Russ.), 4, 577.
Eggers, S., Hinrichs, W., Kopf, J., Fischer, R. D. & Xing-Fu, L. (1992a). Private communication (refcode SOVYAD). CCDC, Cambridge, England.
Eggers, S., Hinrichs, W., Kopf, J., Fischer, R. D. & Xing-Fu, L. (1992b). Private communication (refcode CYPESM02). CCDC, Cambridge, England.
Eggers, S. H., Hinrichs, W., Kopf, J., Jahn, W. & Fischer, R. D. (1986). J. Organomet. Chem. 311, 313-323.  [ChemPort]
Eggers, S. H., Kopf, J. & Fischer, R. D. (1987). Acta Cryst. C43, 2288-2290.  [CrossRef] [details]
Laubereau, P. G. & Burns, J. H. (1970a). Inorg. Chem. 9, 1091-1095.  [ChemPort]
Laubereau, P. G. & Burns, J. H. (1970b). Inorg. Nucl. Chem. Lett. 6, 59-63.  [ChemPort]
Lukens, W. W. Jr & Andersen, R. A. (1995). Organometallics, 14, 3435-3439.  [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Stoe & Cie (2005). X-SHAPE, X-RED32 and X-AREA. Stoe & Cie, Darmstadt, Germany.
Wong, C.-H., Lee, T.-Y. & Lee, Y.-T. (1969). Acta Cryst. B25, 2580-2587.  [CrossRef] [ChemPort] [details]

Acta Cryst (2011). E67, m629  [ doi:10.1107/S1600536811014516 ]

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