Crystal structure of monomeric hydrated iron(III) 5,10,15,20-tetra(N-methyl-4-pyridinio)porphyrin pentachloride; an ionic haem model

Abstract

The crystal structure of hydrated iron(III) 5,10,15,20-tetra(N-methyl-4-pyridinio)porphyrin pentachloride has been determined. It crystallises as high-spin six-co-ordinated diaqua monomers (molecular symmetry ). The iron atom lies in the plane of a flat porphyrin ring [Fe–N(porphyrin), 2.042(6) and 2.038(7)Å]. The axial water ligands [Fe–H₂O 2.086(5)Å] are hydrogen-bonded to chloride ions and water molecules in a network of negative charges that interlace between the positively charged iron(III) porphyrins.