| 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)] = 0.030 | H-atom parameters constrained |
| wR(F2) = 0.056 | w = 1/[σ2(Fo2) + (0.0218P)2] where P = (Fo2 + 2Fc2)/3 |
| S = 0.98 | (Δ/σ)max < 0.001 |
| 3312 reflections | Δρmax = 1.43 e Å−3 |
| 154 parameters | Δρmin = −0.78 e Å−3 |
| 0 restraints | Absolute structure: Flack (1983), 1332 Friedel pairs |
| Primary atom site location: structure-invariant direct methods | Flack parameter: 0.011 (10) |