Received 10 February 2013
The asymmetric unit of the title complex, [Ir2Cl4(C12H19)2], a versatile starting material for the preparation of uniquely substituted pentaalkylcyclopentadienyl-iridium complexes, consists of an iridium(III) atom, a substituted cyclopentadienyl ligand and two chlorine ligands. The full dimer is generated by an inversion center. In the dimer, the two IrIII atoms and two bridging Cl atoms form a perfectly planar ring. The two IrIII atoms and the two terminal Cl atoms also form a rigorous plane that is orthogonal [89.48 (3)°] to the Ir2Cl2 ring. The plane of the cyclopentadienyl ligand forms a dihedral angle of 54.06 (7)° with respect to the Ir2Cl2 ring.
For the structure of the analogous pentamethylcyclopentadienyl compound (CCDC 508943), see: Churchill & Julius (1977). For the structure of the 1-phenyl-2,3,4,5-tetramethylcyclopentadienyl complex (CCDC 802289), see: Liu et al. (2011).
Data collection: CrysAlis PRO (Agilent, 2011); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: OLEX2 (Dolomanov et al., 2009); software used to prepare material for publication: OLEX2.
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: PK2466 ).
We thank the National Science Foundation for funds (grant CHE-01311288) for the purchase of the Oxford Diffraction Xcalibur2 single-crystal diffractometer.
Agilent (2011). CrysAlis PRO. Agilent Technologies UK Ltd, Yarnton, England.
Churchill, M. R. & Julius, S. A. (1977). Inorg. Chem. 16, 1488-1494.
Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K. & Puschmann, H. (2009). J. Appl. Cryst. 42, 339-341.
Liu, Z., Habtemariam, A., Pizarro, A. M., Fletcher, S. A., Kisova, A., Vrana, O., Salassa, L., Bruijnincx, P. C. A., Clarkson, G. J., Brabec, V. & Sadler, P. J. (2011). J. Med. Chem. 54, 3011-3026.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.