X-ray structure of Mer-Trichloro[N-(3-aminopropyl)-1,3-diaminopropane]cobalt(III)

Abstract

The single crystal X-ray structure of [Co(dpt)Cl 3] (dpt is N-(3-aminopropyl)-1,3-diaminopropane) is reported. The molecule crystallizes in space group P2 12 12 1 with four moleculs in a cell of dimensions a = 9.290(3) Å, b = 6.782(3) Å, c = 18.620(4) Å; g9 cald = 1.679 g cm −3, ϱ exptl = 1.66 g cm −3. Full-matrix least squares refinement of 1129 reflections having F > 3σ gave R = 0.029 and R w = 0.032. The complex has the meridional stereochemistry with both chelate rings in the chair form. Cobalt-nitrogen and -chlorine distances are in the expected range. Carbon-13 NMR data is presented for [Co(TACN)dpt] +3] (TACN is 1,4,7-triazacyclononane), which is apparently the first complex to have dpt coordinated in facial form. Qualitative observations show that dpt is a much inferior ligand for Co(III) than diethylenetriamine.