SYNTHESIS AND CRYSTAL-STRUCTURE OF AN INDIUM(III) COMPLEX WITH A BICYCLIC PHTHALOCYANINE AT 300-K

A new green complex of indium(III) [In(C48H24N13)] has been synthesised in crystalline form from the reaction of indium with 1,2-dicyanobenzene under a low nitrogen pressure at about 210-degrees-C. It crystallizes in the triclinic system, space group P1BAR with Z = 2 in a unit cell of dimensions a = 11.693(2), b = 12.408(3), c = 15.998(4) angstrom, alpha, = 75.56(3), beta = 85.63(3) and gamma = 64.92(3)-degrees. The structure was solved by Patterson and Fourier-difference methods and refined by block-diagonal least-squares techniques to R = 0.0707, R' = 0.0906 and S = 1.85 for 7128 independent reflections having F > 4sigma(F) and 560 refined parameters. The molecule consists of an indium(III) cation and hexadentate chelate macrocyclic ligand. The latter is a bicyclic phthalocyaninate composed of six isoindole units forming a distorted trigonal prism with its six N-donor atoms. The conjugation of the pi-electron system in the inner 16-membered ring is interrupted by the two sp3-hybridized bridgehead C atoms. The In-N distances range from 2.203(4) to 2.267(4) angstrom. The details of the crystal structure are discussed and compared with those of other phthalocyanines.