| 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)] = 0.039 | H atoms treated by a mixture of independent and constrained refinement |
| wR(F2) = 0.096 | w = 1/[σ2(Fo2) + (0.0457P)2] where P = (Fo2 + 2Fc2)/3 |
| S = 0.99 | (Δ/σ)max = 0.003 |
| 6435 reflections | Δρmax = 0.17 e Å−3 |
| 402 parameters | Δρmin = −0.18 e Å−3 |
| 70 restraints | Absolute structure: Flack (1983), 2828 Friedel pairs |
| 0 constraints | Flack parameter: −0.04 (6) |
| Primary atom site location: structure-invariant direct methods |