| Refinement on F2 | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Hydrogen site location: difference Fourier map |
| R[F2 > 2σ(F2)] = 0.012 | All H-atom parameters refined |
| wR(F2) = 0.026 | w = 1/[σ2(Fo2) + (0.0107P)2 + 0.2955P] where P = (Fo2 + 2Fc2)/3 |
| S = 1.18 | (Δ/σ)max = 0.001 |
| 1004 reflections | Δρmax = 0.28 e Å−3 |
| 72 parameters | Δρmin = −0.33 e Å−3 |
| 2 restraints |