Synthesis and characterisation of a novel mixed donor P,O,P' nixantphos ligand and its metal complex

•Detailed studies on a new iridium complex of the tripodal POP nixantphos ligand reported.•Ligand displays unique coordination geometry around Ir.•Large P–Ir–P coordination bite angle observed.•Ir complex has potential for enhance activity when applied as a homogeneous catalyst.

The complex [(NixC8OH)Ir(cod)Cl] 4 has been synthesized and structurally characterized by NMR, IR and single crystal X-ray diffraction. The synthesis and characterisation of the novel ligand NixC8OH is also presented. The coordination around Ir is trigonal bipyramidal with both P groups of the NixC8OH ligand bound in a bis-equatorial mode. The bis-chelating cod (C8H12) ligand occupies the remaining equatorial position and an axial position. This mode of bonding has resulted in a large bite angle (P1–Ir–P2) of 102.92(12)° for the title complex 4. The IR and NMR data further support the elucidated structure. Thermal analyses of 4 indicate that it is thermally stable up to a decomposition temperature of >400 °C.