SYNTHESIS AND CRYSTAL STRUCTURE OF A CARBOMETHOXY COMPLEX OF PENTACOORDINATE IRIDIUM (I), MeOC(O)Ir(CO)2(PPh3)2

Article abstract of DOI:10.1016/S0022-328X(00)99688-8

The pentacoordinate complex MeOC(O)Ir(CO)2(PPh3)2, prepared by carbonylation of trans-MeOIr(CO)(PPh3)2, crystallizes in the centrosymmetric triclinic space group P<*> with a 10.019(2), b 11.828(3), c 16.578(5) Angstroem, α 103.83(2), β 92.71(2), γ 114.27(2) deg, V 1715(1) Angstroem³ and Z = 2.Diffraction data were collected and the structure was solved and refined to R 4.9percent for 4504 reflections with 2Τ = 4.5-45.0 deg (Mo-K_α), and R 3.6percent for those 3768 data with <*>F₀<*> > 6?(<*>F₀<*>).The iridium(I) atom is in a trigonal-bipyramidal coordination environment.Axial bond lengths are Ir-CO2Me 2.073(9) and Ir-P(2) 2.360(2) Angstroem; equatorial bond lengths are Ir-P(1) 2.392(2), Ir-CO(1) 1.891(8) and Ir-CO(2) 1.895(10) Angstroem.Isomerism in trigonal-bipyramidal molecules is discussed.