| 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)] = 0.062 | H atoms treated by a mixture of independent and constrained refinement |
| wR(F2) = 0.175 | w = 1/[σ2(Fo2) + (0.1192P)2] where P = (Fo2 + 2Fc2)/3 |
| S = 1.03 | (Δ/σ)max = 0.042 |
| 4717 reflections | Δρmax = 0.67 e Å−3 |
| 315 parameters | Δρmin = −0.64 e Å−3 |
| 36 restraints | Absolute structure: Flack (1983), 2186 Friedel pairs |
| Primary atom site location: structure-invariant direct methods | Flack parameter: 0.03 (2) |