| Refinement on F2 | Secondary atom site location: difference Fourier map |
| R[F2 > 2σ(F2)] = 0.042 | Hydrogen site location: mixed |
| wR(F2) = 0.122 | H atoms treated by a mixture of independent and constrained refinement |
| S = 1.13 | w = 1/[σ2(Fo2) + (0.0733P)2 + 0.0819P] where P = (Fo2 + 2Fc2)/3 |
| 4404 reflections | (Δ/σ)max < 0.001 |
| 222 parameters | Δρmax = 0.44 e Å−3 |
| 0 restraints | Δρmin = −0.28 e Å−3 |
| Primary atom site location: structure-invariant direct methods |