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. 2008 Apr 4;64(Pt 5):o806. doi: 10.1107/S1600536808008751
Refinement on F2 Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full H atoms treated by a mixture of independent and constrained refinement
R[F2 > 2σ(F2)] = 0.019   w = 1/[σ2(Fo2) + (0.0308P)2 + 0.0901P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.053 (Δ/σ)max = 0.001
S = 1.11 Δρmax = 0.19 e Å3
1467 reflections Δρmin = −0.20 e Å3
84 parameters Extinction correction: none
Primary atom site location: structure-invariant direct methods Absolute structure: Flack (1983), 533 Friedel pairs
Secondary atom site location: difference Fourier map Flack parameter: 0.02 (6)