T. C. Downie, W. Harrison, E. S. Raper
Mar 15, 1971
Citations
0
Influential Citations
33
Citations
Journal
Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry
Abstract
A three-dimensional X-ray analysis of nickel acetate tetrahydrate has been carried out. The crystals are monoclinic, space group P2x/c with two molecules contained in a unit cell of dimensions a = 4"764, b= 11-771, c=8.425 A. and fl=93"6 °. The general structural arrangement obtained by van Niekerk & Schoening has been confirmed and new parameters obtained by Patterson and Fourier methods. The structure was refined by block-matrix least-squares calculations to a final R index of 0-068 from 800 observed reflexions collected using Cu Ke radiation. The hydrogen atoms were included in the calculations but their parameters were not refined. The nickel atom, located at a centre of symmetry, has a slightly distorted octahedral arrangement of oxygen atoms. Nickel-oxygen bond lengths are 2.048, 2.067 and 2"081 A (mean e.s.d. 0-003 A.). Bond lengths and angles in the acetate ligand are in good agreement with previously reported values. The two carboxyl C-O bond lengths are 1-272 (5) and 1"255 (6)/~. Each acetate group is planar and the groups are distributed in the form of parallel sheets. The structure is extensively hydrogen-bonded. All the oxygen atoms and the water hydrogen atoms are involved. Intramolecular and intermolecular hydrogen bonds occur.