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Synthesis and characterization of a large bite angle iridium nixantphos complex

The complex (nixantphos)Ir(cod)Cl·CH2Cl2(0.5C7H8) 3 has been synthesized and structurally characterized by NMR, IR, and single crystal X-ray diffraction. The coordination around Ir is trigonal bipyramidal with both P groups of the nixantphos bound in a bis-equatorial mode. The bis-chelating cod (C8H12) occupies the remaining equatorial position and an axial position. This mode of bonding resulted in a large bite angle (P1—Ir—P2) of 106.49° (3) for 3. The IR and NMR data support the elucidated structure. Thermal analyses of 3 indicate that it is thermally stable up to decomposition greater than 400°C.