| Refinement on F2 | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| R[F2 > 2σ(F2)] = 0.048 | Hydrogen site location: inferred from neighbouring sites |
| wR(F2) = 0.116 | H atoms treated by a mixture of independent and constrained refinement |
| S = 1.04 | w = 1/[σ2(Fo2) + (0.0431P)2 + 0.7237P] where P = (Fo2 + 2Fc2)/3 |
| 3890 reflections | (Δ/σ)max < 0.001 |
| 252 parameters | Δρmax = 0.33 e Å−3 |
| 2 restraints | Δρmin = −0.23 e Å−3 |