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. 2009 Oct 28;65(Pt 11):o2856–o2857. doi: 10.1107/S1600536809043384
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)] = 0.035 H-atom parameters constrained
wR(F2) = 0.085 w = 1/[σ2(Fo2) + (0.050P)2] where P = (Fo2 + 2Fc2)/3
S = 1.05 (Δ/σ)max = 0.001
2766 reflections Δρmax = 0.25 e Å3
208 parameters Δρmin = −0.45 e Å3
1 restraint Absolute structure: Flack (1983), 1133 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.059 (11)