STRUCTURAL CONFIRMATION OF A TEMPLATE REACTION-MECHANISM - STRUCTURE OF DICHLORO TRAAZACYCLOTETRADECA-1,3,8,10-TETRAENE)COBALT(III) HEXAFLUOROPHOSPHATE

The structure of the title compound has been investigated by X-ray dif fraction methods. The crystals are monoclinic, space group P2(1)/c, wi th unit cell parameters: a = 11.394(3), b = 6.381(2), c = 17.413(4) an gstrom, and beta = 95.72(2)-degrees. The structure was refined with 23 69 unique reflections by a full-matrix least squares procedure giving R and R(w) of 3.2 and 4.2%, respectively. The cobalt complex forms a s ix coordinate distorted octahedral structure with the cobalt atom at a center of symmetry. The macrocyclic ligand presents eighteen of its 2 8 nonhydrogen atoms in a planar array about the cobalt atom. Only the two central trimethylene carbon atoms and four carbon atoms of each ph enyl ring deviate by more than +/- 0.05 angstrom from this plane. The trans arrangement of substituents on the ligand of the complex confirm s the structural assignment previously made based on NMR data and lend s support to the proposed template reaction mechanism by which these c omplexes form.