{2,2'-[N,N'-Bis(pyridin-2-ylmeth-yl)propane-1,3-diyldi(nitrilo)]di-acetato}-cobalt(III) hexa-fluoridophosphate aceto-nitrile 0.064-solvate

• Published in: Acta crystallographica. Section E, Structure reports online Vol. 69; no. Pt 5; pp. m296 - m297
• Main Authors: McLauchlan, Craig C, Kissel, Daniel S, Arnold, William R, Herlinger, Albert W
• Format: Journal Article
• Language: English
• Published: United States International Union of Crystallography 01.05.2013
• Subjects: Metal-Organic Papers
• ISSN: 1600-5368; 1600-5368
• DOI: 10.1107/S1600536813011136

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 Co(III) atom is coordinated in a distorted octa-hedral 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) aceto-nitrile solvent mol-ecule. 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.