96164-74-8Relevant academic research and scientific papers
Addition reactions and crystal structure of trans-CH3Ir(CO)(PPh3)2
Rees, Wayne M.,Churchill, Melvyn Rowen,Li, Yong-Ji,Atwood, Jim D.
, p. 1162 - 1167 (1985)
The complex trans-MeIr(CO)(PPh3)2 readily undergoes addition reactions with a variety of small molecules such as H2, CO, MeO2CCH=CHCO2Me, MeO2CC≡CCO2Me, O2, CH3I, and H2C(O) to yield well-characterized products. Further reactions of the addition complexes are noted in most cases. The species trans-MeIr(CO)(PPh3)2 crystallizes in the centrosymmetric triclinic space group P1 with a = 9.2497 (9) ?, b = 9.6080 (11) ?, c = 10.4855 (14) ?, α = 72.390 (10)°, β = 88.990 (9)°, γ = 69.224 (8)°, V = 826.22 (16) ?3, Z = 1, and D(calcd) = 1.53 g cm-3 for mol wt 759.9. Diffraction data (Mo Kα 2θ = 4.5-50.0°) were collected with a Syntex P21 automated four-circle diffractometer and refined to RF = 1.8% and RwF = 2.1% for the 2922 independent reflections (none rejected). The molecule lies on a center of symmetry and is disordered with CO and Me ligands occupying square-planar sites rigorously coplanar with the iridium atom. The Ir-P distances are each 2.300 (1) ?; estimated Ir-CO and Ir-Me distances are ～1.835 and ～2.17 ?, respectively.
FORMATION AND CRYSTAL STRUCTURE OF MeIr(CO)(PPh3)2(MeCO2CH=CHCO2Me). COMPARISON OF THE STRUCTURES OF ANALOGOUS ALKENE AND ALKYNE COMPLEXES
Churchill, Melvyn Rowen,Fettinger, James C.,Rees, Wayne M.,Atwood, Jim D.
, p. 99 - 108 (1986)
The complex MeIr(CO)(PPh3)2(MeCO2CH=CHCO2Me), synthesized from trans-MeIr(CO)(PPh3)2 and dimethyl maleate, crystallizes in the centosymmetric monoclinic space group P21/n with a 13.997(5), b 17.878(5), c 15.709(4) angstroem, β 91.002(2) deg, V 3930(2) angstroem3 and Z=4.X-ray data (Mo-Kα, 2θ 4.5-45.0 deg) were collected with a Syntex P21 automated four-circle diffractometer; the structure was solved and converged with R 5.5 percent for all 5069 unique reflections and R 4.3 percent for those 4343 data with The iridium(I) center has a distored trigonal bipyramidal geometry with the Me and CO ligands occupying axial sites (Ir-Me(1) 2.159(8), Ir-CO 1.907(8) angstroem).The MeCO2CH=CHCO2Me ligand is bonded in η2 fashion to the iridium, with is coordinated double bond parallel to the equatorial plane.Bonds to the equatorial ligands are Ir-P(1) 2.344(2), Ir-P(2) 2.376(2) and Ir-(center of olefin) 2.017 angstroem.The observed ligand configuration is different from that for MeIr(CO)(PPh3)2(MeCO2CCCO2Me) which has axial Me and PPh3 ligands in its thermodynamically stable isomer.
