Tp. Braun et al., THE [TH(12)N(6)X(41)](13-) CLUSTER - AN EXTENSION OF RARE-EARTH-METALCLUSTER CHEMISTRY, European journal of solid state and inorganic chemistry, 33(2-3), 1996, pp. 251-264
The synthesis, crystal structure, and chemicaibondtng of the compounds
ATh(12)N(6)X(29) (A = Li,...,Rb;X = Cl, Br) are reported. ATh(12)N(6)
Cl(29) crystallize in the triclinic space group P (1) over bar with Z
= 1, the bromides ATh(12)N(6)Br(29) crystallize in the orthorhombic sp
ace group P nnm with two formula units per unit cell. Both structures
contain the novel cluster type [Th(12)N(6)X(41)](13-), formed by the c
yclic condensation of six nitrogen-centered thorium tetrahedra. Accord
ing to Extended Huckel-type calculations, these compounds are stabiliz
ed by the formation of a cage orbital in the octahedral center of the
cluster unit.