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. 2009 Jan 28;65(Pt 2):o400. doi: 10.1107/S1600536809002827
Refinement on F2 Secondary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.042 H-atom parameters constrained
wR(F2) = 0.100 w = 1/[σ2(Fo2) + (0.0479P)2 + 0.2051P] where P = (Fo2 + 2Fc2)/3
S = 1.12 (Δ/σ)max = 0.001
6767 reflections Δρmax = 0.33 e Å3
381 parameters Δρmin = −0.22 e Å3
2 restraints Absolute structure: Flack (1983), 3233 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: −0.03 (5)