Features of chemical bonding within the Fe(NO)2 fragment for crystalline bis(thiosulfate) tetranitrosyl diiron tetramethylammonium salt as an example according to high-resolution X-ray diffraction data

Abstract

Results of the study of the experimental charge density function for a crystal of the watersoluble {(СH3)4N+}2[Fe2(S2O3)2(NO)4] iron complex are presented. An inequality of two NO ligands at the same metal atom follows from the results of topological analysis of the charge density reconstructed particularly by using the “invariom” model. The inequality also reproduces that in the earlier studied complex Fe(SC2H3N3)(SC2H2N3)(NO)2]•0.5H2O, which is not caused by a superposition of spin states. Crystal packing analysis demonstrates the absence of a significant influence of solvation effects on the observed features of chemical bonding in the Fe(NO)2 fragment.