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

Cammi N. Valdez¹  Malorie Mullens¹  Daniel J. Turner¹  Brian Z. Fanning¹  Timothy J. Hubin¹  Travis K. Roberts¹  Amy N. Cain¹  Serena A. Hageman¹  Robert W. Vaughan¹  Neil L. Funwie¹  Henok G. Ermias¹  Stephen J. Archibald²  Jon D. Silversides²  Timothy J. Prior² 

[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

来源: DOAJ

【 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】

Unknown