| Refinement on F2 | H-atom parameters constrained |
| Least-squares matrix: full | Method = Modified Sheldrick w = 1/[σ2(F2) + ( 0.01P)2 + 0.86P], where P = [max(Fo2,0) + 2Fc2]/3 |
| R[F2 > 2σ(F2)] = 0.025 | (Δ/σ)max = 0.001 |
| wR(F2) = 0.052 | Δρmax = 0.37 e Å−3 |
| S = 1.00 | Δρmin = −0.52 e Å−3 |
| 2658 reflections | Extinction correction: Larson (1970), Equation 22 |
| 138 parameters | Extinction coefficient: 75 (8) |
| 0 restraints | Absolute structure: Flack (1983), 1102 Friedel-pairs |
| Primary atom site location: structure-invariant direct methods | Flack parameter: 0.002 (10) |
| Hydrogen site location: inferred from neighbouring sites |