TiIV and MoV complexes with diesters. The crystal structure of , and *C6H6

Article abstract of DOI:10.1016/0022-328X(92)83114-W

The crystal structures of (I), in the presence of activators a good catalyst for olefin polymerization, (II) and (III). have been determined by X-ray diffraction methods and refined by a full-matrix least-squares technique to R = 0.036, 0.041 and 0.055 for 2775, 2437 and 2776 independent non-zero reflections for I, II and III, respectively.The crystals of I are triclinic, space group P<*> with two molecules in a unit cell of dimensions a = 10.475(8), b = 10.078(9), c = 13.683(9) Angstroem, α = 88.75(7), β = 72.65(6), γ = 66.95(7) deg.The crystals of II are monoclinic, space group P2₁/c, with four molecules in a cell with a = 10.045(8), b = 21.032(22), c = 13.193(9) Angstroem, β = 128.9(6) deg.The titanium atoms in I and II are octahedrally coordinated by four chlorine and two carbonyl oxygen atoms of coordinated o-diester molecules in the cis position.The crystals of III are triclinic, space group P<*>, with two molecules in a unit cell of dimensions a = 9.722(12), b = 8.073(12), c = 15.683(21) Angstroem, α = 83.46(9), β = 75.81(9), γ = 67.74(9) deg.Three Cl atoms, one oxo oxygen and two O atoms of the carbonyl groups form a distorted octahedron around the molybdenum atom.The chelate ligand atoms and the titanium atom in I or molybdenum atom in III form a seven-membered ring which is five-membered in II.