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. 2008 Nov 29;64(Pt 12):o2464. doi: 10.1107/S1600536808038865
Refinement on F2 Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.044   w = 1/[σ2(Fo2) + (0.0569P)2] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.109 (Δ/σ)max = 0.001
S = 1.05 Δρmax = 0.51 e Å3
6476 reflections Δρmin = −0.56 e Å3
415 parameters Extinction correction: none
1 restraint Absolute structure: Flack (1983), 2481 Friedel Pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.44 (7)
Secondary atom site location: difference Fourier map