A SOLVATE OF THE DIACETATE SALT OF THE OCTAETHYLTETRAPHENYLPORPHYRIN DICATION, )CENTER-DOT-3CH(3)COOH-CENTER-DOT(CH2CL2)()CENTER)

The structure of 2,3,7,8,12,13,17,18-octaethyl-5,10,15, 20-tetraphenyl porphyrin(2+) diacetate acetic acid dichloromethane solvate, C(60)H(64 )N(4)(2+)2C(2)H(3)O(2)(-).3C(2)H(4)(-) O-2.CH2Cl2, has been determined at 200 K. The molecule is severely non-planar and adopts an S-4 Saddl e shape. It is the most distorted member of the OETPP series reported to date, with displacements of the beta-pyrrole C atoms from the plane of the four N atoms as great as 1.42 Angstrom and acute tilts of the phenyl rings relative to the porphyrin plane. The two acetate counteri ons act as bidentate ligands which bond to the H atoms on opposite pai rs of N atoms. The crystal lattice also contains three acetic acid mol ecules of solvation per porphyrin molecule, all of which are involved in hydrogen bonds to the acetate molecules. An 'innocent' molecule of CH2Cl2 is also present.