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. 2009 Oct 17;65(Pt 11):o2759. doi: 10.1107/S1600536809041403
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)] = 0.036 H-atom parameters constrained
wR(F2) = 0.096 w = 1/[σ2(Fo2) + (0.0479P)2 + 0.4088P] where P = (Fo2 + 2Fc2)/3
S = 1.04 (Δ/σ)max = 0.001
3453 reflections Δρmax = 0.20 e Å3
227 parameters Δρmin = −0.18 e Å3
0 restraints Absolute structure: Flack (1983), 1464 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.00 (7)