| 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)] = 0.091 | Hydrogen site location: inferred from neighbouring sites |
| wR(F2) = 0.221 | H-atom parameters constrained |
| S = 1.10 | w = 1/[σ2(Fo2) + (0.0516P)2 + 20.691P] where P = (Fo2 + 2Fc2)/3 |
| 9645 reflections | (Δ/σ)max < 0.001 |
| 608 parameters | Δρmax = 2.94 e Å−3 |
| 24 restraints | Δρmin = −1.34 e Å−3 |