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. 2008 Jan 16;64(Pt 2):o452. doi: 10.1107/S1600536808000895
Refinement on F2 Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.031   w = 1/[σ2(Fo2) + (0.0507P)2 + 0.1234P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.083 (Δ/σ)max < 0.001
S = 1.05 Δρmax = 0.26 e Å3
2714 reflections Δρmin = −0.21 e Å3
208 parameters Extinction correction: none
1 restraint Absolute structure: Flack (1983), 1125 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.04 (7)
Secondary atom site location: difference Fourier map