Crystal structure of di-aqua-[5,10,15,20-tetra-kis-(4-meth-oxy-phen-yl)porphyrinato-?(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?? 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.

SUBMITTER: Ben Haj Hassen L 

PROVIDER: S-EPMC4719840 | biostudies-literature | 2015 Dec

REPOSITORIES: biostudies-literature