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. 2011 Oct 12;67(Pt 11):o2948–o2949. doi: 10.1107/S1600536811041390
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)] = 0.027 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.071 w = 1/[σ2(Fo2) + (0.051P)2 + 0.7593P] where P = (Fo2 + 2Fc2)/3
S = 1.05 (Δ/σ)max = 0.001
4990 reflections Δρmax = 0.35 e Å3
326 parameters Δρmin = −0.36 e Å3
4 restraints Absolute structure: Flack (1983), ???? Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.000 (9)