| Refinement on F2 | Secondary atom site location: difference Fourier map |
| R[F2 > 2σ(F2)] = 0.050 | Hydrogen site location: inferred from neighbouring sites |
| wR(F2) = 0.122 | H-atom parameters constrained |
| S = 1.03 | w = 1/[σ2(Fo2) + (0.0718P)2] where P = (Fo2 + 2Fc2)/3 |
| 12284 reflections | (Δ/σ)max = 0.001 |
| 577 parameters | Δρmax = 2.35 e Å−3 |
| 0 restraints | Δρmin = −1.54 e Å−3 |
| Primary atom site location: structure-invariant direct methods |