| Stoe IPDS II diffractometer | 4323 independent reflections |
| Radiation source: fine-focus sealed tube | 3739 reflections with I > 2σ(I) |
| graphite | Rint = 0.024 |
| Detector resolution: 0.15 mm pixels mm-1 | θmax = 29.3°, θmin = 2.1° |
| rotation method scans | h = −10→10 |
| Absorption correction: numerical (X-SHAPE; Stoe & Cie, 2005) | k = −16→16 |
| Tmin = 0.577, Tmax = 0.681 | l = −23→21 |
| 13058 measured reflections |