metal-organic compounds
The title B12 model compound, {2,2′-[1,2-ethanediylbis(nitrilomethylidyne)]diphenolato-N,N′,O,O′}(isobutyl)cobalt(III), [Co(C4H9)(C16H14N2O2)(H2O)], has distorted octahedral stereochemistry around the CoIII ion. The equatorial salen ligand displays a `stepped' conformation, which is the prefered conformation in penta- and hexacoordinate organocobalt-salen complexes. The axial Co—C bond length is close to that of coenzyme B12 and in accordance with that of other B12 models, but the difference in the axial Co—O bond length as well as the deviation from the ideal tetrahedral value of the Co—C—C angle are due to the trans influence of the axial isobutyl group, which has stronger σ-donor power.
Supporting information
Crystallographic Information File (CIF) |
CCDC reference: 127206