Table 2. Computed distortion indices (Å, °) for the title compound and for similar complexes reported in the literature.
| CSD Code | Spin state | <Fe—N> | Σ | Θ | CShM(Oh ) |
|---|---|---|---|---|---|
| Title compound | High-spin | 2.185 | 148.6 | 474.2 | 5.39 |
| IGERIX | High spin | 2.179 | 149.7 | 553.2 | 6.06 |
| IGERIX01 | Low spin | 1.986 | 105.6 | 350.6 | 2.85 |
| LUTGEO | Low spin | 1.933 | 85.0 | 309.6 | 2.10 |
| XODCEB | Low spin | 1.950 | 87.4 | 276.6 | 1.93 |
| DOMQIH | Low spin | 1.962 | 83.8 | 280.7 | 2.02 |
| QIDJET01 | Low spin | 1.970 | 90.3 | 341.3 | 2.47 |
| QIDJET | High spin | 2.184 | 145.5 | 553.3 | 5.88 |
| DOMQUT | Low spin | 1.991 | 88.5 | 320.0 | 2.48 |
| DOMQUT02 | High spin | 2.183 | 139.6 | 486.9 | 5.31 |
| NIRLOT | Low spin | 1.939 | 77.3 | 255.6 | 1.68 |