| Refinement on F2 | Primary atom site location: dual |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| R[F2 > 2σ(F2)] = 0.033 | Hydrogen site location: mixed |
| wR(F2) = 0.092 | H atoms treated by a mixture of independent and constrained refinement |
| S = 1.06 | w = 1/[σ2(Fo2) + (0.0418P)2 + 0.5547P] where P = (Fo2 + 2Fc2)/3 |
| 1798 reflections | (Δ/σ)max = 0.001 |
| 97 parameters | Δρmax = 0.27 e Å−3 |
| 0 restraints | Δρmin = −0.26 e Å−3 |