Crystal structure of diaqua[5,10,15,20-tetrakis(4-methoxyphenyl)porphyrinato-κ4N]iron(III) diaqua(18-crown-6)potassium bis(trifluoromethanesulfonate)–18-crown-6 (1/2)

Abstract

In the title compound, [FeIII(C48H36N4O2)(H2O)2][K(C12H24O6)(H2O)2](SO3CF3)2·2C12H24O6, the FeIII atom is situated on an inversion centre and is octahedrally coordinated by four pyrrole N atoms of the deprotenated 5,10,15,20-tetrakis(4-methoxyphenyl)porphyrinate ligand and two water molecules. The average equatorial Fe—N(pyrrole) bond length [2.043 (6) Å] is consistent with a high-spin (S = 5/2) iron(III) metalloporphyrin derivative. The K+ cation, which also lies on an inversion centre, is chelated by the six O atoms of one 18-crown-6 molecule and is additionally coordinated by two water molecules in a distorted hexagonal–bipyramidal geometry. In the crystal, the cations, anions and one non-coordinating 18-crown-6 molecule are linked by classical O—H...O hydrogen bonds and non-conventional C—H...O hydrogen bonds, leading to a one-dimensional supramolecular architecture along [10-1]. The crystal packing is further stabilized by weak C—H...π interactions involving pyrrole and phenyl rings of the porphyrins, as well as weak C—H...F contacts involving the (SO3CF3)− counter-ion and the 18-crown-6 molecules.

Keywords

• crystal structure
• iron(III) complex salt
• trifluoromethanesulfonate
• porphyrin