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Crystal structure of aquabis(dimethylglyoximato)nitrocobalt(III) based on neutron diffraction data

Published/Copyright: July 28, 2010

Abstract

Single crystal neutron diffraction confirmed previously reported X-ray results: Co(Hdmg)2(NO2)(H2O) (Hdmg = dimethylglyoximate) crystallizes in the monoclinic space group P21/m with lattice constants a = 7.605(5) Å, b = 8.907(5) Å, c = 10.721 (5) Å, β = 94.07(3)°, V = 724.4(7) Å3 and Z = 2 with the complex molecule on a mirror plane. In addition, the neutron diffraction experiment yielded accurate positions for all hydrogen atoms: The intramolecular hydrogen bridges O–H … O are asymmetric with distances O–H = 1.044(7) Å and O … H = 1.468(7) Å, and hence the chelating ligands are not equivalent. This intramolecular result correlates to the packing arrangement: The acceptor oxygen atom of the intramolecular bridge is also involved in strong intermolecular hydrogen bonding.

Published Online: 2010-7-28
Published in Print: 1999-1-1

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