Document Type
Article
Publication Date
2013
Publication Title
Acta Crystallographica Section E: Crystallographic Communications
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.
DOI
10.1107/S1600536813011136
Recommended Citation
McLauchlan, Craig C.; Kissel, Daniel S.; Arnold, William R.; and Herlinger, Albert W., "{2,2'-[N,N'-Bis(pyridin-2-ylmethyl)propane-1,3-diyldi(nitrilo)]diacetato}cobalt(III) hexafluoridophosphate acetonitrile 0.064-solvate" (2013). Faculty Publications – Chemistry. 18.
https://ir.library.illinoisstate.edu/fpchem/18
Crystallographic Information File
2011_AC_Chemdraw file.cdx (5 kB)
Chemdraw file
Comments
First published in Acta Crystallographica Section E: Crystallographic Communications (2013). E69, m296-m297.
This is an open access article published with a Creative Commons distributed under the terms of an attribution license (https://creativecommons.org/licenses/by/2.0/).https://doi.org/10.1107/S1600536813011136