| Refinement on F2 | 4 constraints |
| Least-squares matrix: full | Primary atom site location: dual |
| R[F2 > 2σ(F2)] = 0.053 | Only H-atom displacement parameters refined |
| wR(F2) = 0.123 | w = 1/[σ2(Fo2) + (0.0395P)2 + 3.4625P] where P = (Fo2 + 2Fc2)/3 |
| S = 1.06 | (Δ/σ)max = 0.0002 |
| 3245 reflections | Δρmax = 1.25 e Å−3 |
| 218 parameters | Δρmin = −1.48 e Å−3 |
| 63 restraints |
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