| 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)] = 0.036 | Hydrogen site location: inferred from neighbouring sites |
| wR(F2) = 0.094 | Only H-atom displacement parameters refined |
| S = 1.02 | w = 1/[σ2(Fo2) + (0.0446P)2 + 0.7644P] where P = (Fo2 + 2Fc2)/3 |
| 3365 reflections | (Δ/σ)max < 0.001 |
| 241 parameters | Δρmax = 0.40 e Å−3 |
| 0 restraints | Δρmin = −0.28 e Å−3 |