Crystal structure of di­chlorido­(4,11-dimethyl-1,4,8,11-tetra­aza­bicyclo­[6.6.2]hexa­deca­ne)iron(III) hexa­fluorido­phosphate

Acta Crystallographica Section E: Crystallographic Communications

Cain, A.N.¹  Valdez, C.N.¹  Turner, D.J.¹  Funwie, N.L.¹  Vaughan, R.W.¹  Roberts, T.K.¹  Hubin, T.J.¹  Ermias, H.G.¹  Hageman, S.A.¹  Fanning, B.Z.¹  Mullens, M.¹  Silversides, J.D.²  Archibald, S.J.²  Prior, T.J.² 

[1] Department of Chemistry and Physics, Southwestern Oklahoma State University, Weatherford, OK 73096, USA;Department of Chemistry, University of Hull, Cottingham Road, Hull, HU6 7RX, England

关键词: CRYSTAL STRUCTURE;    MACROCYCLE;    CROSS BRIDGE;    IRON;    CYLAM;   

DOI  :  10.1107/S2056989015015340

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The title compound, [FeCl2(C14H30N4)]PF6, contains Fe3+ coordinated by the four nitro­gen atoms of an ethyl­ene cross-bridged cyclam macrocycle and two cis chloride ligands in a distorted octa­hedral environment. In contrast to other similar compounds this is a monomer. Inter­molecular C—H⋯Cl inter­actions exist in the structure between the complex ions. Comparison with the mononuclear Fe2+ complex of the same ligand shows that the smaller Fe3+ ion is more fully engulfed by the cavity of the bicyclic ligand. Comparison with the μ-oxido dinuclear complex of an unsubstituted ligand of the same size demonstrates that the methyl groups of 4,11-dimethyl-1,4,8,11-tetra­aza­bicyclo­[6.6.2]hexa­decane prevent dimerization upon oxidation.

【 授权许可】

CC BY