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Figure 3
Analysis of the intermolecular interactions. (a) van der Waals representation of C60 inside the cavity of (3)2 [(3)2 was sliced in order to visualize the interior of the cavity]. (b)–(d) Analysis of the intermolecular contacts by mapping of the intermolecular distances onto an C60 isosurface generated at 0.002 au electron density (as implemented in CrystalExplorer; Turner et al., 2017BB25), with (3)2 shown in stick representation and C60 as the isosurface; the surface is colour-coded for host–guest contacts after subtraction of the sum of the van der Waals radii (red < 0, white = 0 and blue > 0). (b) A side view, (c) a 90° view of the upper hemisphere and (d) a 90° view of the bottom hemisphere.

ISSN: 2052-5206
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