| 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) = 0.122 | w = 1/[σ2(Fo2) + (0.055P)2 + 0.4405P] where P = (Fo2 + 2Fc2)/3 |
| S = 1.04 | (Δ/σ)max < 0.001 |
| 3027 reflections | Δρmax = 0.31 e Å−3 |
| 214 parameters | Δρmin = −0.26 e Å−3 |
| 8 restraints |