Figure 8
The formation of the a linkage in the asymmetric part of the OR. The #1 shell (yellow line) and the #2 shell (black line) of linked clusters are shown. The position `a' (`d') is unoccupied due to the close vicinity of the atom `b' (`c'). The site `a' shows some non-zero electron density (right) but in the refined model this site is unoccupied. The position `e' is a potential split position created as an overlay of two neighbouring #1 shells. The RTH shell was not plotted in the atomistic model as it would make the picture indistinct. |