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The crystal structure determination of the title compound, a model for coenzyme B12, indicates that it is [Co(C4H6N2O2)(C5H9)(C4H8N2O2)(H2O)], i.e. one 2,3-butanedione dioxime ligand is neutral and the second is a dianion, with the CoIII ion in a distorted octahedral environment. The axial Co-C bond length [2.029 (2) Å] is close to that of coenzyme B12[2.00 (1) Å].

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablocks default, cy3

fcf

Structure factor file (CIF format)
Contains datablock cy3

CCDC reference: 130738

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