| Refinement on F2 | Secondary atom site location: difference Fourier map |
| Least-squares matrix: full | Hydrogen site location: difference Fourier map |
| R[F2 > 2σ(F2)] = 0.042 | H atoms treated by a mixture of independent and constrained refinement |
| wR(F2) = 0.123 | w = 1/[σ2(Fo2) + (0.0785P)2 + 0.3851P] where P = (Fo2 + 2Fc2)/3 |
| S = 1.04 | (Δ/σ)max < 0.001 |
| 4676 reflections | Δρmax = 0.51 e Å−3 |
| 237 parameters | Δρmin = −0.26 e Å−3 |
| 0 restraints | Extinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
| 54 constraints | Extinction coefficient: 0.015 (2) |
| Primary atom site location: structure-invariant direct methods |