| Refinement on F2 | H-atom parameters constrained |
| Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.06P)2 + 0.078P] 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 = 1.00 | Δρmin = −0.22 e Å−3 |
| 674 reflections | Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
| 101 parameters | Extinction coefficient: 0.069 (8) |
| Primary atom site location: structure-invariant direct methods | Absolute structure: Flack (1983), with no Friedel pairs |
| Secondary atom site location: difference Fourier map | Flack parameter: −0.11 (15) |
| Hydrogen site location: inferred from neighbouring sites |