The structure of the metallated iridium complex [(C8H12)6H3Me)(OC6H4Me)2} {P(OCH2)3CMe}] |
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Authors: | Michael Laing Magriet J Nolte Eric Singleton Erwin van der Stok |
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Institution: | Department of Chemistry, University of Natal, Durban, 4001 (Republic of South Africa);National Chemical Research Laboratory, Council for Scientific and Industrial Research, P.O. Box 395, Pretoria, 0001 (Republic of South Africa) |
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Abstract: | The crystal structure of (C8H12)6H3Me)(OC6H4Me)2} {P(OCH2)3CMe}] has been determined. a 18.32, b 18.98, c 9.35 Å, U 3251 Å3, Pn21a, Z = 4, R = 0.048, 2541 observed data.The coordination about the iridium atom is distorted trigonal bipyramidal; the two phosphorus atoms are equatorial, the σ-bonded carbon is axial, and the bidentate cyclooctadiene is bonded axialequatorial. The IrC(axial) bonds are longer than the IrC(equatorial) bonds: 2.22, 2.26; 2.17, 2.19 Å. The IrC(σ) bond length is 2.19 Å, not significantly different from the formally π-bonded C to Ir distances. The IrP lengths of 2.201 and 2.240 Å and the PIrP angle of 108.7° are normal. The longer IrP bond is in the five-membered chelate ring. The inertness to substitution is discussed. |
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