Journal of Chemical Crystallography
The crystal and molecular structure of Sc(CH3COCHCOCF3)3 has been determined by X-ray diffraction. The compound crystallizes as pure mer-isomer in the orthorhombic space group Pbca with lattice parameters a=15.166(8) Å, b=13.560(7) Å, c=19.327(10) Å, α=β=γ=90°, V=3974(4) Å3, Z=8. The complex at 100 K is partially disordered in the crystal structure in an approximate 5:1 ratio with 83% fluorine population at C-11 and 17% at C-15. NMR data is compared to that previously reported.
Bennett, Dennis W.; Siddiquee, Tasneem; Haworth, Daniel T.; and Lindeman, Sergey V., "The Crystal and Molecular Structure of a Trifluoroacetylacetonate Complex of Scandium, Sc(CH3COCHCOCF3)3" (2007). Chemistry Faculty Research and Publications. 638.