Crystal structure of tris(1,10-phenanthroline-κ2N,N′)iron(II) bis[bis(trifluoromethylsulfonyl)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(trifluoromethylsulfonyl)imide] anions, and one water molecule of crystallization (point group 2). The Fe—N bond lengths are indicative of ad6low-spin state for the FeIIion 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 –CF3groups arranged in atransfashion with respect to each other, leading to ananti,anticonformation of the –CF3groups 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.