Refinement on F2 | Hydrogen site location: inferred from neighbouring sites |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.042 | w = 1/[σ2(Fo2) + (0.0372P)2] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.088 | (Δ/σ)max < 0.001 |
S = 0.90 | Δρmax = 0.15 e Å−3 |
3629 reflections | Δρmin = −0.12 e Å−3 |
236 parameters | Absolute structure: Refined as an inversion twin. |
0 restraints | Absolute structure parameter: −3 (2) |