Abstract
The molecule of the title compound, [IrCl(C7H5NS)(C3H9P)3], is a distorted octa-hedral iridium complex with three PMe3 ligands arranged in a meridional geometry, a chloride ion cis to all three PMe3 groups and the phenyl iso-thio-cyanate ligand bonded in an η(2)-fashion through the C and S atoms. The C atom is trans to the chloride ion and the S atom is responsible for a significant deviation from an ideal octa-hedral geometry. The geometric parameters for the metal-complexing phenyl isothiocyanate group are compared with other metal-complexed phenyl iso-thio-cyanates, as well as with examples of uncomplexed aryl iso-thio-cyanates.
Highlights
The molecule of the title compound, [IrCl(C7H5NS)(C3H9P)3], is a distorted octahedral iridium complex with three PMe3 ligands arranged in a meridional geometry, a chloride ion cis to all three PMe3 groups and the phenyl isothiocyanate ligand bonded in an 2-fashion through the C and S atoms
The C atom is trans to the chloride ion and the S atom is responsible for a significant deviation from an ideal octahedral geometry
Complexation of an aryl isothiocyanate to a metal has a similar effect across a wide range of metal systems with the N—C bond length averaging about 1.26 A, the C—S distance averaging about 1.74 Aand the N—C—S bond angle ranging from 137 to 142
Summary
Various phenyl isothiocyanate complexes of metals have been characterized, all showing the effect of complexation of lengthening of N—C and C—S bonds and the bending of the N—C—S angle away from linearity. Complexation of an aryl isothiocyanate to a metal has a similar effect across a wide range of metal systems with the N—C bond length averaging about 1.26 A , the C—S distance averaging about 1.74 Aand the N—C—S bond angle ranging from 137 to 142
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