Crystal structure of ({(1 R,2 R)- N, N'-bis-[(quino-lin-2-yl)methyl]cyclo-hexane-1,2-di-amine}-chlorido-iron(III))-μ-oxido-[tri-chlorido-ferrate(III)] chloro-form monosolvate

Hannah Swift; Molly W Carrig; Kayode D Oshin; Anastasiya I Vinokur; John A Desper; Christopher J Levy

doi:10.1107/S2056989017007952

Crystal structure of ({(1 R,2 R)- N, N'-bis-[(quino-lin-2-yl)methyl]cyclo-hexane-1,2-di-amine}-chlorido-iron(III))-μ-oxido-[tri-chlorido-ferrate(III)] chloro-form monosolvate

Acta Crystallogr E Crystallogr Commun. 2017 Jun 2;73(Pt 7):936-940. doi: 10.1107/S2056989017007952. eCollection 2017 Jul 1.

Authors

Hannah Swift¹, Molly W Carrig¹, Kayode D Oshin¹, Anastasiya I Vinokur², John A Desper³, Christopher J Levy³

Affiliations

¹ Department of Chemistry, Creighton University, Omaha, NE 68102, USA.
² Department of Chemistry, University of Wisconsin, Madison, WI 53558, USA.
³ Department of Chemistry, Kansas State University, Manhattan, KS 66506, USA.

Abstract

The first Fe^III atom in the solvated title compound, [Fe₂Cl₄O(C₂₆H₂₈N₄)]·CHCl₃, adopts a distorted six-coordinate octa-hedral geometry. It is coordinated by one chloride ligand, four N atoms from the (1R,2R)-N,N'-bis-[(quinolin-2-yl)methyl]cyclo-hexane-1,2-di-amine ligand, and a bridging oxido ligand attached to the second Fe^III atom, which is also bonded to three chloride ions. A very weak intra-molecular N-H⋯Cl hydrogen bond occurs. In the crystal, the coordination complexes stack in columns, and a grouping of six such columns create channels, which are populated by disordered chloro-form solvent mol-ecules. Although the Fe-Cl bond lengths for the two metal atoms are comparable to the mean Fe-Cl bond lengths as derived from the Cambridge Structural Database, the Fe-O bond lengths are notably shorter. The solvent chloro-form mol-ecule exhibits 'flip' disorder of the C-H moiety in a 0.544 (3):0.456 (3) ratio. The only directional inter-action noted is a weak C-H⋯Cl hydrogen bond.

Keywords: bridging oxido ligand; chiral ligand; crystal structure; six-coordinate iron(III) complex; tetradentate ligand.

Grants and funding

This work was funded by Creighton University grant . Hamilton Company grant . Cambridge Isotope Laboratories, Inc. grant . National Science Foundation, Division of Chemistry grant CHE-0349258.