Figure 4
Comparisons of the ML-MotEx and ClusterFinder analyses of an experimental PDF obtained from Keggin clusters in solution. Results are given from the ML-MotEx and ClusterFinder methods on a PDF obtained from a solution of ammonium metatungstate hydrate using four different starting models, (1) (Hpy)4H2(H2W12O40) (py = pyridine) (Niu et al., 2004), (2) [(CH3)4N]4SiW12O40 (Joachim et al., 1981), (3) ([(CH3)2NH2]6{Cu[HCON(CH3)2]4}(GeW12O40)2)[HCON(CH3)2]2 (Niu et al., 2003) and (4) [(CH3)2NH2]3(PW12O40) (Busbongthong & Ozeki, 2009). The 24 [structures (1), (3) and (4)] and 12 [structure (2)] atoms with the lowest atom-removal values have been coloured yellow, while the rest are coloured blue. Oxygen atoms are coloured red. |