Crystal structure of (5-methylcyclopentadienyl)-(1,5-cyclooctadiene) iridium(I)

摘要

XRD is used to determine the structure of Cp'Ir(cod) at a temperature of 150(2) K. Crystallographic data for C14H19Ir are: a = 10.8272(5) , b = 9.7746(4) , c = 10.9180(5) , beta = 97.3310(10)A degrees, monoclinic symmetry, space group P2(1), V = 1146.02(9) (3), Z = 4, d (calc)= 2.199 g/cm(3), R = 0.0246. The structure is molecular, built of neutral molecules. The metal atom coordinates carbon atoms of two cyclic ligands: 5-methylcyclopentadienyl-ion (Cp') and 1,5-cyclooctadiene (cod). Five Ir-C-Cp' distances lie in the range of 2.21-2.28 ; four Ir-C-cod distances differ insignificantly, and their average value is 2.114(13) . The C11C12C13C14C15 and C1C2C5C6 planes of ligand fragments are almost parallel, and the angle between normals is 1.9A degrees. In the crystal, molecules are bonded only by van der Waals interactions; in the structure, the eight shortest Ir...Ir distances are in the range of 5.608-7.257 .