The structure of u-fac-(Diethylenetriamine)[di(3-aminopropyl)amine]cobalt(III) perchlorate, [Co(dien)(dpt)] (ClO₄)₃, and an energy minimization analysis of the [Co(dien)(dpt)]³⁺ system

Abstract

X-ray crystallographic analysis of u-fac-[Co(dien)(dpt)] (ClO₄)₃,H₂O [dien = diethylenetriamine, dpt = di(3-aminopropyl)amine] confirms the assigned u-fac geometry. The two six-membered chelate rings of the coordinated dpt adopt chair and flattened-chair conformations. The crystals are triclinic, space group P1, with a 8.979(2), b 11.436(2), c 11.463(3) Å, α 91.15(2), β 101 .84(2), γ 93.41(2)º. A molecular mechanics analysis of the three [Co(dien)(dpt)]³⁺ geometric isomers gives the u-fac as the most stable, in accord with experimental observations.