Crystal structure of tris-(1,10-phenanthroline-κ(2) N,N')iron(II) bis-[bis-(tri-fluoro-methyl-sulfon-yl)imide] monohydrate

Kazunori Teramoto; Takeshi Kawasaki; Toshikazu Nishide; Yasuhisa Ikeda

doi:10.1107/S2056989014026966

Crystal structure of tris-(1,10-phenanthroline-κ(2) N,N')iron(II) bis-[bis-(tri-fluoro-methyl-sulfon-yl)imide] monohydrate

Acta Crystallogr E Crystallogr Commun. 2015 Jan 1;71(Pt 1):m8-9. doi: 10.1107/S2056989014026966.

Authors

Kazunori Teramoto¹, Takeshi Kawasaki², Toshikazu Nishide¹, Yasuhisa Ikeda³

Affiliations

¹ Department of Chemical Biology and Applied Chemistry, College of Engineering, Nihon University, 1 Nakagawara Tokusada Tamura, Koriyama 963-8642, Japan.
² Department of Chemistry, Faculty of Science, Toho University, 2-2-1 Miyama, Funabashi, Chiba 274-8510, Japan.
³ Research Laboratory for Nuclear Reactors, Tokyo Institute of Technology, 2-12-1-N1-34 Ookayama, Meguro-ku, Tokyo 152-8550, Japan.

Abstract

The crystal structure of the title complex, [Fe(C12H8N2)3][(CF3SO2)2N]2·H2O, is constructed by one octa-hedral [Fe(phen)3](2+) (phen = 1,10-phenanthroline) cation (point group symmetry 2), two Tf2N(-) [bis-(tri-fluoromethyl-sulfon-yl)imide] anions, and one water mol-ecule 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 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 mol-ecule of crystallization connects two O atoms of the Tf2N(-) anions through weak hydrogen bonds. C-H⋯O hydrogen-bonding inter-actions are also observed, consolidating the packing of the mol-ecules into a three-dimensional network structure.

Keywords: 1,10-phenanthroline; bis(trifluoromethylsulfonyl)imide; complex salt; crystal structure; hydrogen bonding; iron(II) complex; low-spin d6 FeII ions.