A.G. Orpen, L. Brammer, F.H. Allen, O. Kennard, D.G. Watson,"Tables of bond lengths determined by X-ray and neutron diffraction. Part 2. Organometallic compounds and Co-ordination complexes of the d- and f-block metals, " Dalton Transactions, S1- S83, 1989.
Guy Orpen (University of Brictol, England): "Many chemists and physicists want to know something about the atomic-scale structure in the systems they study. Often they will use computational models, either to analyze the experimental data they produce, or as tools in relating structure and proprties. Generating a realistic geometrical structure from which to start modeling is itself a difficult exercise in many cases. That is where our work comes in.
"In this paper, we have identified and tabulated `standard' bond lengths in metal-ligand complexes. There are now more than 100, 00 crystal structures known, and they represent an unprecedented store of knowledge on the three-dimensional structures of such complexes.
The sheer volume...