The Jahn-Teller Effect in the Molecular Structure of Copper Nitroprusside, Cu[Fe(CN)5NO]·2H2O

Publisher Website
Google Scholar
Abstract
The nilrosylcyanide crystallizes in space group Pnma with a = 13.4911(9), b = 7.1698(6), c = 10.8623(7) Å, Z = 4, D m = 2.01(2) Mg m−3 and D x - 1.99 Mg m−3. Full-matrix least-squares refinement of 1232 unique reflections yielded final reliability factors, R = 0.048 and R w —0.052, and a “goodness-of-fit” value of 1.04. The iron atoms are coordinated by five cyanide ligands and a nitrosyl group and the copper atoms are coordinated by five cyanide ligands and a water molecule. The distorted octahedral metal centres, which are geometrically arranged in a staggered fashion, are linked by cyanide bridging (Fe-C=N-Cu). The copper centre displays a characteristic Jahn-Teller distortion typical of octahedral copper complexes, and accounts for bond distance deviation in lattice symmetry from octahedral ideality, Cu-N(equatorial, mean) = 1.981(5) Å and Cu-N(axial) = 2.160(7) Å. Conoscopic, infrared, thermal gravimetric, and X-ray fluorescence analyses are reported.

This publication has 17 references indexed in Scilit: