| Refinement on F2 | Hydrogen site location: difference Fourier map |
| Least-squares matrix: full | H atoms treated by a mixture of independent and constrained refinement |
| R[F2 > 2σ(F2)] = 0.040 | w = 1/[σ2(Fo2) + (0.0419P)2 + 2.5644P] where P = (Fo2 + 2Fc2)/3 |
| wR(F2) = 0.099 | (Δ/σ)max < 0.001 |
| S = 1.12 | Δρmax = 0.66 e Å−3 |
| 2891 reflections | Δρmin = −0.81 e Å−3 |
| 191 parameters | Extinction correction: none |
| 1 restraint | Absolute structure: Flack (1983), 1374 Friedel pairs |
| Primary atom site location: structure-invariant direct methods | Flack parameter: 0.43 (3) |
| Secondary atom site location: difference Fourier map |