| Refinement on F2 | Secondary atom site location: difference Fourier map |
| Least-squares matrix: full | Hydrogen site location: difference Fourier map |
| R[F2 > 2σ(F2)] = 0.036 | All H-atom parameters refined |
| wR(F2) = 0.095 | w = 1/[σ2(Fo2) + (0.0475P)2 + 0.3981P] where P = (Fo2 + 2Fc2)/3 |
| S = 1.05 | (Δ/σ)max < 0.001 |
| 3372 reflections | Δρmax = 0.23 e Å−3 |
| 303 parameters | Δρmin = −0.19 e Å−3 |
| 0 restraints | Extinction correction: SHELXL 2016/6 (Sheldrick, 2015b), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
| Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.0049 (4) |