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. 2008 Jan 9;64(Pt 2):o398. doi: 10.1107/S1600536807068717
Refinement on F2 Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.043   w = 1/[σ2(Fo2) + (0.0709P)2 + 0.0494P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.111 (Δ/σ)max = 0.001
S = 1.04 Δρmax = 0.24 e Å3
4350 reflections Δρmin = −0.16 e Å3
238 parameters Extinction correction: none
Primary atom site location: structure-invariant direct methods Absolute structure: Flack (1983); 1846 Friedel pairs
Secondary atom site location: difference Fourier map Flack parameter: 0.65 (6)