ORIENTATIONAL DISORDER IN THE X-RAY CRYSTAL STRUCTURE OF TRANS-[W(CO)2{S(C4H9)} 2(C7H8)]. Georgina M. Rosair, J. L.Davidson and B. J. Thiebaut, Dept. of Chemistry, Heriot-Watt University, Edinburgh, EH14 4AS, Scotland
The tungsten complex, [W(CO)2{S(C4H9)} 2(C7H8)] in Cmc21 is disordered with two orientations of the complex at the tungsten centre. This unusual form of disorder results from there being enough space in the crystal lattice for the molecule to be in two or more possible orientations at any given site. Orientational disorder has been observed in the tricyclic pleiadiene. In the title compound, one molecule is generated from the other by a mirror plane (defined by the trans carbonyl ligands and two carbon atoms of the nornabornadiene). The nature of the disorder will be discussed in more detail. The tungsten centre has disotorted octahedral geometry [S(1)-W(1)-S(2) = 111.6(3)deg.], with the t-butyl thiol groups orientated with syn geometry with respect to one another.