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Volume 69 
Part 1 
Page m46  
January 2013  

Received 21 November 2012
Accepted 29 November 2012
Online 12 December 2012

Key indicators
Single-crystal X-ray study
T = 100 K
Mean [sigma](C-C) = 0.002 Å
R = 0.026
wR = 0.067
Data-to-parameter ratio = 22.2
Details
Open access

1,1'-Bis(tert-butyldimethylsilyl)ferrocene

aDepartment of Chemistry, Azarbaijan Shahid Madani University, Tabriz, Iran,bDepartment of Chemistry, University of Akron, Akron, OH, USA, and cDepartment of Chemistry, Science and Rsearch Branch, Islamic Azad University, Tehran, Iran
Correspondence e-mail: Ar.abri@azaruniv.edu

The asymmetric unit of the title compound, [Fe(C11H19Si)2], consists of one half of a ferrocene derivative. The FeII atom lies on a twofold rotation axis, giving an eclipsed conformation for the cyclopentadienyl ligands. No significant intermolecular interactions are observed in the crystal structure.

Related literature

For background to ferrocene derivatives and their applications, see: Hudson et al. (2001[Hudson, R. D. A. (2001). J. Organomet. Chem. 637, 47-50.]); Liu et al. (2000[Liu, J., Castro, R., Abboud, K. A. & Kaifer, A. E. (2000). J. Org. Chem. 65, 6973-6976.]). For a related structure, see: Ren et al. (2012[Ren, X., Wang, L. & Li, Y. (2012). Acta Cryst. E68, m922.]).

[Scheme 1]

Experimental

Crystal data
  • [Fe(C11H19Si)2]

  • Mr = 414.55

  • Orthorhombic, P b c n

  • a = 7.1282 (6) Å

  • b = 12.1466 (10) Å

  • c = 26.363 (2) Å

  • V = 2282.6 (3) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.77 mm-1

  • T = 100 K

  • 0.20 × 0.20 × 0.10 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2005[Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.861, Tmax = 0.927

  • 17220 measured reflections

  • 2529 independent reflections

  • 2323 reflections with I > 2[sigma](I)

  • Rint = 0.037

Refinement
  • R[F2 > 2[sigma](F2)] = 0.026

  • wR(F2) = 0.067

  • S = 1.05

  • 2529 reflections

  • 114 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.36 e Å-3

  • [Delta][rho]min = -0.24 e Å-3

Data collection: APEX2 (Bruker, 2005[Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2005[Bruker (2005). APEX2, 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL and PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: IS5223 ).


Acknowledgements

AA thanks Azarbaijan Shahid Madani University for financial support. CJZ and JTE thank University of Akron for the X-ray facility.

References

Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Hudson, R. D. A. (2001). J. Organomet. Chem. 637, 47-50.  [CrossRef]
Liu, J., Castro, R., Abboud, K. A. & Kaifer, A. E. (2000). J. Org. Chem. 65, 6973-6976.  [CrossRef] [PubMed] [ChemPort]
Ren, X., Wang, L. & Li, Y. (2012). Acta Cryst. E68, m922.  [CSD] [CrossRef] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [ISI] [CrossRef] [details]


Acta Cryst (2013). E69, m46  [ doi:10.1107/S1600536812049069 ]

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