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. 2008 Dec 24;65(Pt 1):o192. doi: 10.1107/S1600536808042931
Refinement on F2 Secondary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.041 H-atom parameters constrained
wR(F2) = 0.096 w = 1/[σ2(Fo2) + (0.0438P)2] where P = (Fo2 + 2Fc2)/3
S = 1.03 (Δ/σ)max < 0.001
2324 reflections Δρmax = 0.23 e Å3
145 parameters Δρmin = −0.19 e Å3
1 restraint Absolute structure: Flack (Flack, 1983), 1064 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.07 (9)