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

In the title compound, [Fe(III)(C(48)H(36)N(4)O(2))(H(2)O)(2)][K(C(12)H(24)O(6))(H(2)O)(2)](SO(3)CF(3))(2)·2C(12)H(24)O(6), the Fe(III) 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)porph...

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Detalles Bibliográficos
Autores principales: Ben Haj Hassen, Leila, Denden, Zouhour, Rousselin, Yoann, Nasri, Habib
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719840/
https://www.ncbi.nlm.nih.gov/pubmed/26870431
http://dx.doi.org/10.1107/S2056989015021039
Descripción
Sumario:In the title compound, [Fe(III)(C(48)H(36)N(4)O(2))(H(2)O)(2)][K(C(12)H(24)O(6))(H(2)O)(2)](SO(3)CF(3))(2)·2C(12)H(24)O(6), the Fe(III) 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 (SO(3)CF(3))(−) counter-ion and the 18-crown-6 mol­ecules.