| 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)] = 0.031 | Hydrogen site location: inferred from neighbouring sites |
| wR(F2) = 0.092 | H atoms treated by a mixture of independent and constrained refinement |
| S = 1.07 | W = 1/[Σ2(FO2) + (0.0539P)2 + 0.2679P] where P = (FO2 + 2FC2)/3 |
| 4073 reflections | (Δ/σ)max < 0.001 |
| 166 parameters | Δρmax = 0.50 e Å−3 |
| 0 restraints | Δρmin = −0.22 e Å−3 |