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. 2009 Oct 17;65(Pt 11):m1381–m1382. doi: 10.1107/S1600536809039683
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)] = 0.037 H-atom parameters constrained
wR(F2) = 0.113 w = 1/[σ2(Fo2) + (0.0715P)2 + 1.1083P] where P = (Fo2 + 2Fc2)/3
S = 1.11 (Δ/σ)max < 0.001
805 reflections Δρmax = 0.28 e Å3
85 parameters Δρmin = −0.18 e Å3
144 restraints Absolute structure: Flack (1983), 319 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.01 (15)