Crystal structure of tris(1,10-phenanthroline-κ 2 N , N ′)iron(II) bis[bis(trifluoromethylsulfonyl)imide] monohydrate

The crystal structure of the title complex, [Fe(C 12 H 8 N 2 ) 3 ][(CF 3 SO 2 ) 2 N] 2 ·H 2 O, is constructed by one octahedral [Fe(phen) 3 ] 2+ (phen = 1,10-phenanthroline) cation (point group symmetry 2), two Tf 2 N − [bis(trifluoromethylsulfonyl)imide] anions, and one water molecule of crystallization (point group 2). The Fe—N bond lengths are indicative of a d 6 low-spin state for the Fe II ion in the complex. The dihedral angle between the phen ligands in the cation is 87.64 (6)°. The Tf 2 N − counter-anion is non-coordinating, with the –CF 3 groups arranged in a trans fashion with respect to each other, leading to an anti,anti conformation of the –CF 3 groups and –SO 2 N– moieties relative to the S—C bonds. The water molecule of crystallization connects two O atoms of the Tf 2 N − 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.