CRYSTAL-STRUCTURE OF (CYCLOPENTADIENYL)-DICHLOROGADOLINIUM(III)-TRIS(TETRAHYDROFURAN)

The compound CpGdCl2.3THF has been successfully prepared from NaCp (Cp = C5H5) and GdCl3 (2:1 molar ratio) in THF and characterized by elemental analysis, IR and MS spectra and a single crystal X-ray diffraction study, showing that the compound is monomeric in both vapour and solid states. Crystals are monoclinic, space group P2(1)/n, with a = 7.818, b = 17.139(2), c = 15.203(2) angstrom, beta = 95.88(2)-degrees, and D(c) = 1.678 g/cm3 for Z = 4; 1876 reflections were considered observed. The structure was solved by heavy-atom methods. Least-squares refinement converged to a final value of R = 0.041. The gadolinium has a distorted octahedral geometry coordinated by one Cp ring centroid, three THF oxygen atoms and two chloride anions. The average Gd-O(THF) distance is 2.397(3) angstrom. The Gd-C(Cp) bond lengths range from 2.673(6) to 2.691(6) angstrom, and average 2.683(6) angstrom.