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. 2008 May 10;64(Pt 6):o1025. doi: 10.1107/S1600536808012154
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)] = 0.041   w = 1/[σ2(Fo2) + (0.0533P)2] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.092 (Δ/σ)max < 0.001
S = 0.99 Δρmax = 0.91 e Å3
2307 reflections Δρmin = −0.71 e Å3
147 parameters Extinction correction: none
3 restraints Absolute structure: Flack (1983), 696 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.06 (2)
Secondary atom site location: difference Fourier map