| Refinement on F2 | All H-atom parameters refined |
| Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.1332P)2 + 0.072P] where P = (Fo2 + 2Fc2)/3 |
| R[F2 > 2σ(F2)] = 0.073 | (Δ/σ)max = 0.001 |
| wR(F2) = 0.193 | Δρmax = 3.87 e Å−3 |
| S = 1.04 | Δρmin = −6.28 e Å−3 |
| 40510 reflections | Extinction correction: SHELXL2018/3 (Sheldrick 2015) |
| 350 parameters | Extinction coefficient: 0.119 (3) |
| 1 restraint | Absolute structure: Indeterminate for a neutron structure |