| Refinement on F2 | Secondary atom site location: difference Fourier map |
| Least-squares matrix: full | Hydrogen site location: difference Fourier map |
| R[F2 > 2σ(F2)] = 0.060 | H atoms treated by a mixture of independent and constrained refinement |
| wR(F2) = 0.148 | w = 1/[σ2(Fo2) + (0.0526P)2 + 0.5819P] where P = (Fo2 + 2Fc2)/3 |
| S = 1.14 | (Δ/σ)max < 0.001 |
| 6747 reflections | Δρmax = 0.20 e Å−3 |
| 444 parameters | Δρmin = −0.19 e Å−3 |
| 13 restraints | Extinction correction: none |
| Primary atom site location: structure-invariant direct methods |