| Refinement on F2 | Hydrogen site location: inferred from neighbouring sites |
| Least-squares matrix: full | H-atom parameters constrained |
| R[F2 > 2σ(F2)] = 0.032 | w = 1/[σ2(Fo2) + (0.0556P)2 + 0.3045P] where P = (Fo2 + 2Fc2)/3 |
| wR(F2) = 0.094 | (Δ/σ)max = 0.001 |
| S = 1.06 | Δρmax = 0.79 e Å−3 |
| 4425 reflections | Δρmin = −0.54 e Å−3 |
| 191 parameters | Extinction correction: SHELXTL (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
| Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.0238 (15) |
| Secondary atom site location: difference Fourier map |