| Refinement on F2 | H atoms treated by a mixture of independent and constrained refinement |
| Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.0532P)2 + 0.3843P] where P = (Fo2 + 2Fc2)/3 |
| R[F2 > 2σ(F2)] = 0.032 | (Δ/σ)max < 0.001 |
| wR(F2) = 0.086 | Δρmax = 0.25 e Å−3 |
| S = 1.08 | Δρmin = −0.30 e Å−3 |
| 2428 reflections | Extinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
| 198 parameters | Extinction coefficient: 0.023 (2) |
| 1 restraint | Absolute structure: Classical Flack method preferred over Parsons because s.u. lower |
| Primary atom site location: difference Fourier map | Absolute structure parameter: 0.11 (7) |
| Hydrogen site location: mixed |