Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 5 (May 2013)

metal-organic compounds

Acta Cryst. (2013). E69, m296-m297    [ doi:10.1107/S1600536813011136 ]

{2,2'-[N,N'-Bis(pyridin-2-ylmeth­yl)propane-1,3-diyldi(nitrilo)]di­acetato}­cobalt(III) hexa­fluoridophosphate aceto­nitrile 0.064-solvate

C. C. McLauchlan, D. S. Kissel, W. R. Arnold and A. W. Herlinger

Abstract: In the title compound, [Co(C19H22N4O4)]PF6·0.064CH3CN, commonly known as [Co(bppd)]PF6·0.064CH3CN, where bppd represents the historical ligand name N,N'-bis(2-pyridylmethyl)-1,3-diaminopropane-N,N'-diacetate, the CoIII atom is coordinated in a distorted octa­hedral geometry with an N4O2 donor atom set. The acetate O atoms, which exhibit monodentate coordination, are oriented in a trans configuration with respect to each other, whereas the pyridyl N atoms are coordinated in a cis configuration. The compound crystallizes with two crystallographically unique cations and two anions per asymmetric unit along with a disordered, partially occupied (occupancy = 0.128) aceto­nitrile solvent mol­ecule. Crystals of the title complex were found to be twinned by pseudomerohedry with a 180° rotation around [10-1] and a refined contribution of 90.5 (3)% of the major twin component.

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