Crystal structure of tris(1, 10-phenan-throline-κ2N,N′)iron(II) bis[bis(trifluoro-methylsulfonyl)imide] monohydrate

Abstract

The crystal structure of the title complex, [Fe(C12H8N2)3][(CF3SO2)2N]2·H2O, is constructed by one octahedral [Fe(phen)3]2+ (phen = 1, 10-phenanthroline) cation (point group symmetry 2), two Tf2N- [bis(trifluoromethyl-sulfonyl)imide] anions, and one water molecule of crystallization (point group 2). The Fe - N bond lengths are indicative of a d6 low-spin state for the FeII ion in the complex. The dihedral angle between the phen ligands in the cation is 87.64 (6)°. The Tf2N- counter-anion is non-coordinating, with the-CF3 groups arranged in a trans fashion with respect to each other, leading to an anti, anti conformation of the-CF3 groups and -SO2N-moieties relative to the S - C bonds. The water molecule of crystallization connects two O atoms of the Tf2N- anions through weak hydrogen bonds. C - H⋯O hydrogen-bonding interactions are also observed, consolidating the packing of the molecules into a three-dimensional network structure.