Table 2. Indication of the quality of the anomalous signal from the peak data set determined using SHELXC .
| Resolution (Å) | ∞–8.0 | 8.0–6.0 | 6.0–5.0 | 5.0–4.0 | 4.0–3.6 | 3.6–3.4 | 3.4–3.2 | 3.2–3.0 | 3.0–2.8 | 2.8–2.6 | 2.6–2.35 |
|---|---|---|---|---|---|---|---|---|---|---|---|
| No. of data | 361 | 469 | 581 | 1280 | 949 | 659 | 817 | 1051 | 1370 | 1812 | 3194 |
| 〈I/σ(I)〉 | 23.5 | 22.6 | 23.7 | 24.3 | 23.0 | 21.2 | 18.0 | 16.0 | 12.1 | 8.4 | 5.0 |
| Completeness (%) | 89.6 | 98.7 | 99.3 | 99.5 | 99.5 | 99.4 | 99.8 | 99.6 | 99.8 | 99.7 | 99.7 |
| 〈d′′/sig〉 | 3.15 | 3.34 | 2.88 | 2.31 | 2.06 | 2.02 | 1.84 | 1.59 | 1.35 | 1.12 | 0.88 |