| Refinement on F2 | 41 constraints |
| Least-squares matrix: full | Primary atom site location: iterative |
| R[F2 > 2σ(F2)] = 0.057 | H atoms treated by a mixture of independent and constrained refinement |
| wR(F2) = 0.184 | w = 1/[σ2(Fo2) + (0.0846P)2 + 0.3653P] where P = (Fo2 + 2Fc2)/3 |
| S = 1.12 | (Δ/σ)max < 0.001 |
| 3668 reflections | Δρmax = 0.47 e Å−3 |
| 278 parameters | Δρmin = −0.37 e Å−3 |
| 0 restraints |