Synthesis and crystal structure of an indium(III) complex with a bicyclic phthalocyanine at 300 K

Abstract

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 °C. It crystallizes in the triclinic system, space group P with Z= 2 in a unit cell of dimensions a= 11.693(2), b= 12.408(3), c= 15.998(4)A, α= 75.56(3), β= 85.63(3) and γ= 64.92(3)°. 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 > 4σ(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 π-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)A. The details of the crystal structure are discussed and compared with those of other phthalocyanines.