| 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)] = 0.111 | Hydrogen site location: mixed |
| wR(F2) = 0.277 | H-atom parameters constrained |
| S = 1.06 | w = 1/[σ2(Fo2) + (0.1511P)2 + 16.9004P] where P = (Fo2 + 2Fc2)/3 |
| 8591 reflections | (Δ/σ)max = 0.001 |
| 537 parameters | Δρmax = 4.24 e Å−3 |
| 78 restraints | Δρmin = −0.65 e Å−3 |