| Refinement on F2 | Secondary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Hydrogen site location: mixed |
| R[F2 > 2σ(F2)] = 0.054 | H atoms treated by a mixture of independent and constrained refinement |
| wR(F2) = 0.124 | w = 1/[σ2(Fo2) + (0.0392P)2 + 0.2859P] where P = (Fo2 + 2Fc2)/3 |
| S = 1.08 | (Δ/σ)max < 0.001 |
| 3424 reflections | Δρmax = 0.15 e Å−3 |
| 244 parameters | Δρmin = −0.15 e Å−3 |
| 2 restraints | Extinction correction: SHELXL2018/3 (Sheldrick 2015b), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
| 0 constraints | Extinction coefficient: 0.0058 (17) |
| Primary atom site location: structure-invariant direct methods |