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)

Affiliation auteurs!!!! Error affiliation !!!!
TitreCrystal 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 publicationJournal Article
Year of Publication2015
AuteursHassen LBen Haj, Denden Z, Roussclin Y, Nasri H
JournalACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
Volume71
PaginationM215-U154
Date PublishedDEC
Type of ArticleArticle
ISSN2056-9890
Mots-clésCrystal 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.

DOI10.1107/S2056989015021039