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

Abri, A.; Soltani, B.; Ziegler, C.J.; Engle, J.T.; Kia, R.

doi:10.1107/S1600536812049069

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 (C-C) = 0.002 Å
R = 0.026
wR = 0.067
Data-to-parameter ratio = 22.2
Details

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

Abdolreza Abri,^a ^* Behzad Soltani,^a Christopher J. Ziegler,^b James T. Engle ^b and Reza Kia ^c

^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 Fe^II 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); Liu et al. (2000). For a related structure, see: Ren et al. (2012).

Experimental

Crystal data

[Fe(C₁₁H₁₉Si)₂]
M_r = 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 radiation
= 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) T_min = 0.861, T_max = 0.927
17220 measured reflections
2529 independent reflections
2323 reflections with I > 2(I)
R_int = 0.037

Refinement

R[F² > 2(F²)] = 0.026
wR(F²) = 0.067
S = 1.05
2529 reflections
114 parameters
H-atom parameters constrained
_max = 0.36 e Å^-3
_min = -0.24 e Å^-3

Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT (Bruker, 2005); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL and PLATON (Spek, 2009).

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.
Liu, J., Castro, R., Abboud, K. A. & Kaifer, A. E. (2000). J. Org. Chem. 65, 6973-6976.
Ren, X., Wang, L. & Li, Y. (2012). Acta Cryst. E68, m922.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Spek, A. L. (2009). Acta Cryst. D65, 148-155.

metal-organic compounds