| Refinement on F2 | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| R[F2 > 2σ(F2)] = 0.027 | Hydrogen site location: difference Fourier map |
| wR(F2) = 0.076 | All H-atom parameters refined |
| S = 1.04 | w = 1/[σ2(Fo2) + (0.0406P)2 + 0.6602P] where P = (Fo2 + 2Fc2)/3 |
| 11816 reflections | (Δ/σ)max = 0.008 |
| 659 parameters | Δρmax = 0.48 e Å−3 |
| 0 restraints | Δρmin = −0.34 e Å−3 |