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Cristallisation dans le systeme triclinique, groupe P1 et affinement de la structure jusqu'a R=0,077. Distorsion du cycle cyclooctene

Mr = 460.36, monoclinic. P21/c, a = 13.718(1), b = 11.090(1), c = 14.985(1) Å, β = 98.162(2)°, V = 2256.67(9) Å3, Z = 4, Dx = 1.355 Mgm−3, μ = 0.933 mm−1, F(000) = 968, room temperature, final R = 0.047 (Rw = 0.048) for 3184 [I ⩾ 3 σ(I)] observed reflections. The title compound has the “three-legged piano stool” geometry, i.e. the coordination geometry of the iron can be regarded as a distorted octahedron with aη5 – C5Me5 group occupying three coordination sites. Like its nonmethylated analogue it contains an unusually monodentate dithiophosphate ester ligand.

The crystal structure of the title compound has been determined. MW = 248.315, the crystals are orthorhombic, space group Pnma with a = 15.695(9), b = 7.592(3), c = 8.508(3) Å, V = 1013.8(8) Å3, Z = 4, Dc = 1.627(3) Mg · m−3, μ = 8.550 mm−1, λCuKα, F(000) = 512. It was refined to R = 0.051, Rw = 0.054, for 846 unique observed reflections with I > 2 σ(I). The ion succinate lies on a mirror plane as well as the water molecules. The K+ ion is linked to six oxygen atoms in a distorted octahedral coordination with distances ranging from 2.716(3) to 3.070(4) Å. The molecules are linked by hydrogen bonds and coupled through potassiums ions forming layers at ¼ and ¾ of b.