| Refinement on F2 | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Hydrogen site location: mixed |
| R[F2 > 2σ(F2)] = 0.048 | H atoms treated by a mixture of independent and constrained refinement |
| wR(F2) = 0.134 | w = 1/[σ2(Fo2) + (0.0796P)2 + 0.1341P] where P = (Fo2 + 2Fc2)/3 |
| S = 1.05 | (Δ/σ)max < 0.001 |
| 2168 reflections | Δρmax = 0.31 e Å−3 |
| 176 parameters | Δρmin = −0.29 e Å−3 |
| 0 restraints |