{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

Craig C McLauchlan; Daniel S Kissel; William R Arnold; Albert W Herlinger

doi:10.1107/S1600536813011136

{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

Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 30;69(Pt 5):m296-7. doi: 10.1107/S1600536813011136. Print 2013 May 1.

Authors

Craig C McLauchlan¹, Daniel S Kissel, William R Arnold, Albert W Herlinger

Affiliation

¹ Department of Chemistry, Illinois State University, Campus Box 4160, Normal, IL 61790-4160, USA.

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 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.