Crystal structure of diaqua[5,10,15,20-tetrakis(4-methoxyphenyl)porphyrinato-kappa N-4]iron(III) diaqua(18-crown-6)-potassium bis(trifluoromethanesulfonate)-18-crown-6 (1/2)
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Titre | Crystal structure of diaqua[5,10,15,20-tetrakis(4-methoxyphenyl)porphyrinato-kappa N-4]iron(III) diaqua(18-crown-6)-potassium bis(trifluoromethanesulfonate)-18-crown-6 (1/2) |
Type de publication | Journal Article |
Year of Publication | 2015 |
Auteurs | Hassen LBen Haj, Denden Z, Roussclin Y, Nasri H |
Journal | ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS |
Volume | 71 |
Pagination | M215-U154 |
Date Published | DEC |
Type of Article | Article |
ISSN | 2056-9890 |
Mots-clés | Crystal structure, iron(III) complex salt, porphyrin, trifluoromethanesulfonate |
Résumé | In the title compound, [Fe-III(C48H36N4O2)(H2O)(2)][K(C-12-H24O6)(H2O)(2)](SO3CF3)(2)center dot 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) angstrom] 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 center dot center dot center dot O hydrogen bonds and non-conventional C-H center dot center dot center dot O hydrogen bonds, leading to a one-dimensional supramolecular architecture along [10 (1) over bar]. The crystal packing is further stabilized by weak C-H center dot center dot center dot pi interactions involving pyrrole and phenyl rings of the porphyrins, as well as weak C-H center dot center dot center dot F contacts involving the (SO3CF3)(-) counter-ion and the 18-crown-6 molecules. |
DOI | 10.1107/S2056989015021039 |