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Volume 65 
Part 4 
Page m391  
April 2009  

Received 3 March 2009
Accepted 4 March 2009
Online 11 March 2009

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Key indicators
Single-crystal X-ray study
T = 100 K
Mean [sigma](C-C) = 0.001 Å
R = 0.031
wR = 0.089
Data-to-parameter ratio = 28.4
Details
Open access

Bis([eta]5-pentamethylcyclopentadienyl)cobalt(II)

Meghan M. Clark,a William W. Brennessela* and Patrick L. Hollanda

aDepartment of Chemistry, University of Rochester, Rochester, NY 14627, USA
Correspondence e-mail: brennessel@chem.rochester.edu

The crystal structure of the title compound, decamethylcobaltocene, [Co(C10H15)2], has been determined. High-quality single crystals were grown from a cold saturated hexamethyldisiloxane solution. The structure is related to the manganese and iron analogs. The molecule has D5d symmetry, with the Co atom in a crystallographic 2/m position. The cobalt-centroid(C5) distance is 1.71Å and the centroid(C5)-Co-centroid(C5) angle is 180°, by symmetry.

Related literature

For the synthesis of the title compound and its electrochemical and magnetic properties, see: Robbins et al. (1982[Robbins, J. L., Edelstein, N., Spencer, B. & Smart, J. C. (1982). J. Am. Chem. Soc. 104, 1882-1893.]). For its formal potential and use as a reducing agent, see: Connelly & Geiger (1996[Connelly, N. G. & Geiger, W. E. (1996). Chem. Rev. 96, 877-910.]). For the isotypic manganese and iron structures, see: Struchkov et al. (1978[Struchkov, Yu. T., Andrianov, V. G., Sal'nikova, T. N., Lyatifov, I. R. & Materikova, R. B. (1978). J. Organomet. Chem. 145, 213-223.]); Freyburg et al. (1979[Freyburg, D. P., Robbins, J. L., Raymond, K. N. & Smart, J. C. (1979). J. Am. Chem. Soc. 101, 892-897.]); Augart et al. (1991[Augart, N., Boese, R. & Schmid, G. (1991). Z. Anorg. Allg. Chem. 595, 27-34.]); Arrais et al. (2003[Arrais, A., Diana, E., Gobetto, R., Milanesio, M., Viterbo, D. & Stanghellini, P. L. (2003). Eur. J. Inorg. Chem. pp. 1186-1192.]).

[Scheme 1]

Experimental

Crystal data

  • [Co(C10H15)2]

  • Mr = 329.37

  • Orthorhombic, C m c a

  • a = 15.0848 (16) Å

  • b = 11.5031 (12) Å

  • c = 10.0105 (10) Å

  • V = 1737.0 (3) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.98 mm-1

  • T = 100 K

  • 0.28 × 0.28 × 0.14 mm
Data collection

  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 2008a[Sheldrick, G. M. (2008a). SADABS. University of Göttingen, Germany.]) Tmin = 0.771, Tmax = 0.875

  • 19672 measured reflections

  • 2386 independent reflections

  • 1903 reflections with I > 2[sigma](I)

  • Rint = 0.046
Refinement

  • R[F2 > 2[sigma](F2)] = 0.031

  • wR(F2) = 0.089

  • S = 1.07

  • 2386 reflections

  • 84 parameters

  • All H-atom parameters refined

  • [Delta][rho]max = 0.70 e Å-3

  • [Delta][rho]min = -0.74 e Å-3

Table 1
Selected bond lengths (Å)

Co1-C1 2.0914 (12)
Co1-C3 2.0956 (8)
Co1-C2 2.1113 (8)
C1-C2 1.4304 (12)
C1-C4 1.4961 (18)
C2-C3 1.4231 (12)
C2-C5 1.4935 (14)
C3-C6 1.4950 (13)

Data collection: APEX2 (Bruker, 2009[Bruker (2009). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2008[Bruker (2008). SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008b[Sheldrick, G. M. (2008b). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008b[Sheldrick, G. M. (2008b). Acta Cryst. A64, 112-122.]); molecular graphics: SHELXTL (Sheldrick, 2008b[Sheldrick, G. M. (2008b). 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: SJ2590 ).

References

Arrais, A., Diana, E., Gobetto, R., Milanesio, M., Viterbo, D. & Stanghellini, P. L. (2003). Eur. J. Inorg. Chem. pp. 1186-1192.  [CSD] [CrossRef]
Augart, N., Boese, R. & Schmid, G. (1991). Z. Anorg. Allg. Chem. 595, 27-34.  [CrossRef] [ChemPort]
Bruker (2008). SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2009). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.
Connelly, N. G. & Geiger, W. E. (1996). Chem. Rev. 96, 877-910.  [CrossRef] [PubMed] [ChemPort] [ISI]
Freyburg, D. P., Robbins, J. L., Raymond, K. N. & Smart, J. C. (1979). J. Am. Chem. Soc. 101, 892-897.
Robbins, J. L., Edelstein, N., Spencer, B. & Smart, J. C. (1982). J. Am. Chem. Soc. 104, 1882-1893.  [CrossRef] [ChemPort] [ISI]
Sheldrick, G. M. (2008a). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008b). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Struchkov, Yu. T., Andrianov, V. G., Sal'nikova, T. N., Lyatifov, I. R. & Materikova, R. B. (1978). J. Organomet. Chem. 145, 213-223.  [CrossRef] [ChemPort]

Acta Cryst (2009). E65, m391  [ doi:10.1107/S1600536809007971 ]

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