Mystery solved: The long-elusive crystal structure of nitrosylcobalamin (NOCbl) reveals that the Co-N-O angle is 117.4–121.4°; hence, NOCbl is best described as nitroxylcob(III)alamin in the solid state (see picture: Co purple, N blue, O red, P orange, C gray, H white). The length of the CoN bond trans to the NO ligand is typical of those seen when strong β-axial ligands are positioned trans to the 5,6-dimethylbenzimidazole group.
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Hannibal et al. (2007) studied this question.
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