Received 17 March 2013
aInstituto de Investigaciones Químicas (IIQ) and Departamento de Química Inorgánica, Consejo Superior de Investigaciones Cientificas (CSIC) and Universidad de Sevilla, Avenida Américo Vespucio 49, 41092 Sevilla, Spain, and bInstitute of Chemical Technologies and Analytics, Vienna University of Technology, Getreidemarkt 9/164SC, A-1060 Vienna, Austria
Correspondence e-mail: email@example.com
In the mononuclear title iridium(III) complex, [Ir(C4H8)(C15H22BN6)(C3H9P)], which is based on the [tris(3,5-dimethylpyrazol-1-yl)hydroborato]iridium moiety, Ir[TpMe2], the IrIII atom is coordinated by a chelating butane-1,4-diyl fragment and a trimethylphosphane ligand in a modestly distorted octahedral coordination environment formed by three facial N, two C and one P atom. The iridium-butane-1,4-diyl ring has an envelope conformation. This ring is disordered because alternately the second or the third C atom of the butane-1,4-diyl fragment function as an envelope flap atom (the occupancy ratio is 1:1). In the crystal, molecules are organized into densely packed columns extending along . Coherence between the molecules is essentially based on van der Waals interactions.
For general aspects of hydrogen trispyrazolylborate ligands, see: Pettinari & Trofimenko (2008). For general information on mechanistic aspects of organometallic reactions, involving oxidative addition and reductive elimination, see: Crabtree (2005). For information on -CAM mechanisms, see: Perutz & Sabo-Etienne (2007). For general information on the chemistry and potential of Ir[TpMe2] complexes, see: Conejero et al. (2010). For selected aspects of the synthesis and the crystal structure of the precursor of the title compound, see: Paneque et al. (2000). For aspects of the chemistry of a CO- instead of PMe3-containing analogue to the precursor of the title compound, see: Gómez et al. (2007). For a description of the Cambridge Structural Database, see: Allen (2002).
Data collection: SMART (Bruker, 2003); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: Mercury (Macrae et al., 2006); software used to prepare material for publication: publCIF (Westrip, 2010).
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: GK2565 ).
Financial support (FEDER) from the Spanish Ministry of Science (projects CTQ2010-17476 and Consolider-Ingenio 2010 CSD2007-00006) and the Junta de Andalucía (grant FQM-119 and project P09-FQM-4832) is acknowledged.
Allen, F. H. (2002). Acta Cryst. B58, 380-388.
Bruker (2003). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Conejero, S., Paneque, M., Poveda, M. L., Santos, L. L. & Carmona, E. (2010). Acc. Chem. Res. 43, 572-580.
Crabtree, R. H. (2005). The Organometallic Chemistry of the Transition Metals, 4th ed. New Jersey: John Wiley and Sons Inc.
Gómez, M., Paneque, M., Poveda, M. L. & Alvarez, E. (2007). J. Am. Chem. Soc. 129, 6092-6093.
Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453-457.
Paneque, M., Poveda, M. L., Salazar, V., Gutiérrez-Puebla, E. & Monge, A. (2000). Organometallics, 19, 3120-3126.
Perutz, R. N. & Sabo-Etienne, S. (2007). Angew. Chem. Int. Ed. 46, 2578-2592.
Pettinari, C. & Trofimenko, S. (2008). In Scorpionates II: Chelating Borate Ligands. London: Imperial College Press.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.