title: Crystal structure of di-aqua-[5,10,15,20-tetra-kis-(4-meth-oxy-phen-yl)porphyrinato-κ(4) N]iron(III) di-aqua-(18-crown-6)potassium bis-(tri-fluoro-methane-sulfonate)-18-crown-6 (1/2).
abstract: In the title compound, [Fe(III)(C48H36N4O2)(H2O)2][K(C12H24O6)(H2O)2](SO3CF3)2·2C12H24O6, the Fe(III) atom is situated on an inversion centre and is octa-hedrally coordin-ated by four pyrrole N atoms of the deprotenated 5,10,15,20-tetra-kis-(4-meth-oxy-phen-yl)porphyrinate ligand and two water mol-ecules. 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 mol-ecule and is additionally coordinated by two water mol-ecules in a distorted hexa-gonal-bipyramidal geometry. In the crystal, the cations, anions and one non-coordinating 18-crown-6 mol-ecule are linked by classical O-H⋯O hydrogen bonds and non-conventional C-H⋯O hydrogen bonds, leading to a one-dimensional supra-molecular architecture along [10-1]. The crystal packing is further stabilized by weak C-H⋯π inter-actions 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 mol-ecules.
authors: University of Monastir, Laboratoire de Physico-chimie des Matriaux, Faculté des Sciences de Monastir, Avenue de l'environnement, 5019 Monastir, Tunisia.
authors: Leila
authors: L
authors: Ben Haj Hassen
authors: University of Monastir, Laboratoire de Physico-chimie des Matriaux, Faculté des Sciences de Monastir, Avenue de l'environnement, 5019 Monastir, Tunisia.
authors: Zouhour
authors: Z
authors: Denden
authors: University of Burgundy, ICMUB-UMR 6302, 9 avenue Alain Savary, 21000 Dijon, France.
authors: Yoann
authors: Y
authors: Rousselin
authors: University of Monastir, Laboratoire de Physico-chimie des Matriaux, Faculté des Sciences de Monastir, Avenue de l'environnement, 5019 Monastir, Tunisia.
authors: Habib
authors: H
authors: Nasri
keywords: crystal structure; iron(III) complex salt; porphyrin; tri­fluoro­methane­sulfonate