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. 2011 Oct 5;67(Pt 11):o2840–o2841. doi: 10.1107/S1600536811040165
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)] = 0.025 H-atom parameters constrained
wR(F2) = 0.066 w = 1/[σ2(Fo2) + (0.0412P)2 + 0.0965P] where P = (Fo2 + 2Fc2)/3
S = 1.06 (Δ/σ)max = 0.001
3839 reflections Δρmax = 0.31 e Å3
201 parameters Δρmin = −0.20 e Å3
1 restraint Absolute structure: Flack (1983), 1824 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.04 (4)