Hirshfeld surface and crystal lattice void calculation
CP 1 yellow block crystals · Single Crystal
CrystalExplorer-style Hirshfeld surface/fingerprint and void analysis from the crystal structure.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| N...H Hirshfeld contribution | 7.4 % | — | — | Text Exact Reported | 9 · 3.6 Hirshfeld surface analysis · Figure 11 |
| O...H Hirshfeld contributionMarked as a best value within this paper | 10.4 % | — | — | Text Exact Reported | 9 · 3.6 Hirshfeld surface analysis · Figure 11 |
| crystal lattice void area | 853.85 A2 | — | — | Text Exact Reported | 9 · 3.6 Hirshfeld surface analysis · Figure 11 |
| crystal lattice void volume | 251.82 A3 | — | — | Text Exact Reported | 9 · 3.6 Hirshfeld surface analysis · Figure 11 |