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The representative 100 K data collection; for more details see the supporting information.
| Moiety formula | C20H15NiN3O3 |
| Moiety formula mass M r (a.u.) | 404.04 |
| Crystal system | Tetragonal |
| Space group | I41 a (No. 88) |
| Z | 16 |
| F 000 | 3328 |
| Crystal colour, shape | Brown, prism |
| a (Å) | 14.7759 (3) |
| b (Å) | 14.7759 (3) |
| c (Å) | 29.8577 (7) |
| V (Å3) | 6518.7 (2) |
| R[F] [I > 3σ(I)] (%) | 3.82 |
| R[F] (all data) (%) | 4.12 |
 (e Å−3) |
−0.48/+0.39 |
