| Refinement on F2 | Hydrogen site location: difmap and geom |
| Least-squares matrix: full | H atoms treated by a mixture of independent and constrained refinement |
| R[F2 > 2σ(F2)] = 0.039 | w = 1/[σ2(Fo2) + (0.0371P)2] where P = (Fo2 + 2Fc2)/3 |
| wR(F2) = 0.083 | (Δ/σ)max = 0.001 |
| S = 0.82 | Δρmax = 0.34 e Å−3 |
| 5694 reflections | Δρmin = −0.31 e Å−3 |
| 212 parameters | Extinction correction: none |
| 1 restraint | Absolute structure: Flack (1983), 2278 Friedel pairs |
| Primary atom site location: structure-invariant direct methods | Flack parameter: −0.03 (5) |
| Secondary atom site location: difference Fourier map |