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. 2008 Jun 7;64(Pt 7):o1186. doi: 10.1107/S1600536808015912
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)] = 0.031   w = 1/[σ2(Fo2) + (0.0151P)2] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.059 (Δ/σ)max = 0.001
S = 0.97 Δρmax = 0.17 e Å3
2757 reflections Δρmin = −0.29 e Å3
176 parameters Extinction correction: none
1 restraint Absolute structure: Flack (1983), with 1154 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.006 (9)
Secondary atom site location: difference Fourier map