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Figure 3
(a) and (b) Hirshfeld surfaces colour coded with the property dnorm. Red areas depict close contacts, here identical with hydrogen bonding, blue areas distant contacts. Labelled from dnorm = −0.83 (red) to 0 (white) to 1.54 (blue). All four different water environments of the DDD trihydrate at 8 K are shown, resulting from the water disorder (a). The water environment using the main disorder components of the 100 K structure is shown in (b). The corresponding fingerprint plots are given in (c) and (d). Generated with the software CrystalExplorer (Spackman et al., 2021View full citation).

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
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