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Australian Journal of Chemistry Australian Journal of Chemistry Society
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RESEARCH ARTICLE

The crystal structure of deuterated trans-Tetraamminedinitronickel(II) at 4.2 K by neutron diffraction

BN Figgis, PA Reynolds, GA Williams and N Lehner

Australian Journal of Chemistry 34(5) 993 - 999
Published: 1981

Abstract

The crystal structure of deuterated trans-tetraamminedinitronickel(II), Ni(ND3)4(NO2)2, has been determined by single-crystal neutron diffraction methods at 4·2 K. Crystals are monoclinic, C2/m, a 1058(l), b 672(1), c 586.3(3) pm, β 114.82(5)º, Z = 2. Diffractometry has provided Bragg intensities for 219 independent reflections; and the structure has been refined by full-matrix least-squares methods to R(F2) 0·070 and χ2 3·8. There are slight differences in the molecular geometries determined by neutron diffraction and earlier X-ray determinations of Ni(NH3)4(NO2)2 at 295 and 130 K. Small, but significant, decreases are evident in all non-hydrogen bond lengths on decrease in temperature from 295 to 4·2 K, up to a maximum of 2·0(4) pm for the Ni-NH3/ND3 bond. The magnitudes of these decreases are correlated with the force constants of the bonds. The intermolecular geometry and thermal parameters show that in the ab plane there is a network of relatively strong, linear N-D···O hydrogen bonds. In the c* direction there is a slightly bent, longer, N-D(1)···O bond which is weaker. This causes a large amplitude of rigid-body translational motion in the c* direction, together with high thermal motion of D(1) in the b axial direction.

https://doi.org/10.1071/CH9810993

© CSIRO 1981

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