| Xcalibur PX κ-geometry diffractometer with CCD Onyx camera | 2413 independent reflections | 
| Radiation source: fine-focus sealed tube | 2131 reflections with I > 2σ(I) | 
| Monochromator: graphite | Rint = 0.068 | 
| T = 100(2) K | θmax = 76.7º | 
| ω and φ scans | θmin = 4.3º | 
| Absorption correction: analytical(CrysAlis RED; Oxford Diffraction, 2006) | h = −38→21 | 
| Tmin = 0.21, Tmax = 0.66 | k = −4→4 | 
| 9609 measured reflections | l = −20→26 |