| Refinement on F2 | Primary atom site location: dual |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| R[F2 > 2σ(F2)] = 0.036 | Hydrogen site location: mixed |
| wR(F2) = 0.098 | H atoms treated by a mixture of independent and constrained refinement |
| S = 1.05 | w = 1/[σ2(Fo2) + (0.0562P)2 + 1.1192P] where P = (Fo2 + 2Fc2)/3 |
| 9931 reflections | (Δ/σ)max = 0.002 |
| 431 parameters | Δρmax = 0.51 e Å−3 |
| 0 restraints | Δρmin = −0.25 e Å−3 |