Table 5.
Selected average bond lengths (Å) and valence angles (°) for available crystallographic data (a) and comparison with DFT energy-minimized structures (b).
| Comp. | Bond lengths (Å) | Valence angles (°) | ||||||
|---|---|---|---|---|---|---|---|---|
| M–C | M–Cl | M–N | M–O | O–M–N | O–M–Cl | N–M–Cl | Cl–M–Cl | |
| Ru-1 | ||||||||
| a | 2.18 | 2.40 | 2.13 | — | — | — | 86.0 | 87.0 |
| b | 2.19 | 2.37 | 2.05 | — | — | — | 84.8 | 88.7 |
| Ru-7 | ||||||||
| a | 2.18 | 2.41 | 2.10 | 2.10 | 77.9 | 86.7 | 85.3 | — |
| b | 2.19 | 2.37 | 2.03 | 2.04 | 78.8 | 88.6 | 81.9 | — |
| Ru-9 | ||||||||
| a | 2.19 |
2.40 |
2.16 |
2.09 | 76.9 | 83.7 | 85.2 | — |
| b | 2.18 | 2.37 | 2.04 | 2.03 | 79.1 | 86.6 | 82.8 | — |
| Ru-10 | ||||||||
| a | 2.19 | 2.42 | 2.10 | 2.09 | 78.0 | 85.2 | 85.2 | — |
| b | 2.18 | 2.37 | 2.04 | 2.03 | 79.1 | 86.6 | 82.8 | — |