| 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)] = 0.042 | H atoms treated by a mixture of independent and constrained refinement |
| wR(F2) = 0.120 | w = 1/[σ2(Fo2) + (0.0551P)2 + 0.5359P] where P = (Fo2 + 2Fc2)/3 |
| S = 1.02 | (Δ/σ)max = 0.003 |
| 5479 reflections | Δρmax = 0.22 e Å−3 |
| 461 parameters | Δρmin = −0.32 e Å−3 |
| 8 restraints | Extinction correction: none |
| Primary atom site location: structure-invariant direct methods |