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. 2018 Feb 20;74(Pt 3):367–370. doi: 10.1107/S2056989018002621
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 Å3
3629 reflections Δρmin = −0.12 e Å3
236 parameters Absolute structure: Refined as an inversion twin.
0 restraints Absolute structure parameter: −3 (2)