view article

Figure 3
Cluster water molecules inside the cavity, with electron and nuclear scattering density maps. Cyan: 2FoFc neutron map contoured at 1.7 r.m.s.; magenta: 2FoFc electron density map contoured at 2.0 r.m.s.. Tetrahedral water molecules with single occupancy and a close to tetrahedral conformation are indicated in green. O atoms in other water molecules are indicated in red. Dashed lines indicate hydrogen bonds (distances are given in Å)

Volume 3| Part 2| March 2016| Pages 115-126
ISSN: 2052-2525