| Refinement on F2 | Secondary atom site location: difference Fourier map |
| Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
| R[F2 > 2σ(F2)] = 0.040 | H atoms treated by a mixture of independent and constrained refinement |
| wR(F2) = 0.101 | w = 1/[σ2(Fo2) + ] |
| S = 0.90 | (Δ/σ)max = 0.001 |
| 3119 reflections | Δρmax = 0.31 e Å−3 |
| 212 parameters | Δρmin = −0.24 e Å−3 |
| 3 restraints | Absolute structure: Flack (1983), 1493 Friedel pairs |
| Primary atom site location: structure-invariant direct methods | Flack parameter: 0.026 (12) |