| Refinement on F2 | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| R[F2 > 2σ(F2)] = 0.074 | Hydrogen site location: inferred from neighbouring sites |
| wR(F2) = 0.165 | H atoms treated by a mixture of independent and constrained refinement |
| S = 1.07 | w = 1/[σ2(Fo2) + (0.059P)2 + 0.7268P] where P = (Fo2 + 2Fc2)/3 |
| 5704 reflections | (Δ/σ)max < 0.001 |
| 407 parameters | Δρmax = 0.31 e Å−3 |
| 2 restraints | Δρmin = −0.24 e Å−3 |