| Refinement on F2 | Hydrogen site location: inferred from neighbouring sites |
| Least-squares matrix: full | H-atom parameters constrained |
| R[F2 > 2σ(F2)] = 0.050 | w = 1/[σ2(Fo2) + (0.0885P)2] where P = (Fo2 + 2Fc2)/3 |
| wR(F2) = 0.145 | (Δ/σ)max = 0.001 |
| S = 1.02 | Δρmax = 0.48 e Å−3 |
| 7407 reflections | Δρmin = −0.37 e Å−3 |
| 463 parameters | Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
| 13 restraints | Extinction coefficient: 0.0014 (5) |
| Primary atom site location: structure-invariant direct methods | Absolute structure: Flack (1983), 3248 Friedel pairs |
| Secondary atom site location: difference Fourier map | Flack parameter: 0.03 (2) |