Table 3. Hirshfeld contact surfaces, derived ‘random contacts’ and ‘enrichment ratios’ for [Ni(L I,II)2] and [Cu(L I,II)2].
Fingerprint plots of the observed contacts are available in the Supporting information.
| [Ni(L I)2] | [Cu(L I)2] | [Ni(L II)2] | [Cu(L II)2] | |||||||||||||||||
| H | C | N | O | Ni | H | C | N | O | Cu | H | C | N | O | Ni | H | C | N | O | Cu | |
| Contacts (C, %)† | ||||||||||||||||||||
| H | 67.2 | – | – | – | – | 66.3 | – | – | – | – | 58.8 | – | – | – | – | 62.2 | – | – | – | – |
| C | 23.9 | 0.0 | – | – | – | 24.3 | 0.0 | – | – | – | 33.5 | 0.1 | – | – | – | 28.9 | 1.1 | – | – | – |
| N | 2.0 | 0.2 | 0.0 | – | – | 2.1 | 0.2 | 0.0 | – | – | 2.3 | 0.0 | 0.0 | – | – | 1.1 | 1.5 | 0.0 | – | – |
| O | 5.6 | 0.0 | 0.0 | 0.0 | – | 5.5 | 0.0 | 0.0 | 0.0 | – | 4.8 | 0.0 | 0.0 | 0.0 | – | 0.9 | 1.6 | 0.0 | 0.4 | – |
| M | 1.2 | 0.0 | 0.0 | 0.0 | 0.0 | 1.6 | 0.0 | 0.0 | 0.0 | 0.0 | 0.5 | 0.0 | 0.0 | 0.0 | 0.0 | 0.8 | 1.5 | 0.0 | 0.0 | 0.0 |
| Surface (S, %) | ||||||||||||||||||||
| 83.6 | 12.1 | 1.1 | 2.8 | 0.6 | 83.1 | 12.3 | 1.2 | 2.8 | 0.8 | 79.4 | 16.9 | 1.2 | 2.4 | 0.3 | 78.1 | 17.9 | 1.3 | 1.7 | 1.2 | |
| Random contacts (R, %) | ||||||||||||||||||||
| H | 69.9 | – | – | – | – | 69.1 | – | – | – | – | 63.0 | – | – | – | – | 61.0 | – | – | – | – |
| C | 20.2 | 1.5 | – | – | – | 20.4 | 1.5 | – | – | – | 28.8 | 2.9 | – | – | – | 28.0 | 3.2 | – | – | – |
| N | 1.8 | 0.3 | 0.0 | – | – | 2.0 | 0.3 | 0.0 | – | – | 1.9 | 0.4 | 0.0 | – | – | 2.0 | 0.5 | 0.0 | – | – |
| O | 4.7 | 0.7 | 0.1 | 0.1 | – | 4.7 | 0.7 | 0.1 | 0.1 | – | 3.8 | 0.8 | 0.1 | 0.1 | – | 2.7 | 0.6 | 0.0 | 0.0 | – |
| M | 1.0 | 0.1 | 0.0 | 0.0 | 0.0 | 1.3 | 0.2 | 0.0 | 0.0 | 0.0 | 0.5 | 0.1 | 0.0 | 0.0 | 0.0 | 1.9 | 0.4 | 0.0 | 0.0 | 0.0 |
| Enrichment (E)‡ | ||||||||||||||||||||
| H | 0.96 | – | – | – | – | 0.96 | – | – | – | – | 0.93 | – | – | – | – | 1.02 | – | – | – | – |
| C | 1.18 | 0.0 | – | – | – | 1.19 | 0.0 | – | – | – | 1.16 | 0.03 | – | – | – | 1.03 | 0.34 | – | – | – |
| N | 1.11 | – | – | – | – | 1.05 | – | – | – | – | 1.21 | – | – | – | – | 0.55 | – | – | – | – |
| O | 1.19 | – | – | – | – | 1.17 | – | – | – | – | 1.26 | – | – | – | – | 0.33 | – | – | – | – |
| M | 1.20 | – | – | – | – | 1.23 | – | – | – | – | – | – | – | – | – | 0.42 | – | – | – | – |