Figure 3
Hirshfeld surfaces and corresponding fingerprint plots generated from an atomic spherically averaged electron density using the program CrystalExplorer (Spackman & Jayatilaka, 2009). The colour code on the Hirshfeld surfaces represents the geometrical function dnorm: (a) (I) scale of dnorm is −0.69 to 1.1, (b) (II) scale of dnorm is −0.64 to 1.2, and (c) (III) scale of dnorm is −0.73 to 1.1. Negative values of dnorm indicating areas with contact distances shorter than the sum of the van der Waals radii are coloured red. In the fingerprint plots of (d) (I), (e) (II) and (f) (III), the distances from a surface point to the nearest interior/exterior atoms (di/e) are given in Å. |