Crystal structure of a novel bismuth phthalocyanine bismuth iodide complex

A new phthalocyaninato complex of bismuth with formula [(BiPC)(4)(Bi4I16)] was obtained in the reaction of bismuth with 1,2-dicyanobenzene in iodine v apour. The crystal and molecular structure of the complex was determined by single crystal X-ray diffraction. The unit cell consists of four discrete (BiPc)(+) cations and (Bi4I16)(4-) anions. The (Bi4I16)(4-) complex anion i s formed by four edge-sharing BiI6 octahedra. The arrangement of molecules in the crystalline structure of the complex is mainly determined by ionic a ttraction between the (BiPc)(+) and (Bi4I16)(4-) moieties, i.e. each (Bi4I1 6)(4-) complex anion is encapsulated between four (BiPc)(+) cations. The st ructure is additionally stabilised by a set of distinct acceptor-donor inte rmolecular forces. The exceptionally short covalent Bi-N-isoindole bonds ar e a pronounced feature of the (BiPc)(+) cations. To our knowledge the [(BiP c)(4)(Bi4I16)] compound is the only example of a metallophthalocyaninato co mplex in which the metal atoms are not exclusively incorporated into macroc yclic Pc molecules, but occupy independent sites in the common crystalline lattice. (C) 1998 Elsevier Science B.V. All rights reserved.