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. 2009 Dec 12;66(Pt 1):o98. doi: 10.1107/S1600536809052428
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)] = 0.040 H-atom parameters constrained
wR(F2) = 0.105 w = 1/[σ2(Fo2) + (0.0497P)2 + 0.2822P] where P = (Fo2 + 2Fc2)/3
S = 1.07 (Δ/σ)max = 0.001
3072 reflections Δρmax = 0.19 e Å3
166 parameters Δρmin = −0.25 e Å3
1 restraint Absolute structure: Flack (1983), 1272 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.05 (11)