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. 2011 Apr 29;67(Pt 5):o1244. doi: 10.1107/S1600536811012864
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)] = 0.053 H-atom parameters constrained
wR(F2) = 0.130 w = 1/[σ2(Fo2) + (0.0457P)2] where P = (Fo2 + 2Fc2)/3
S = 1.02 (Δ/σ)max = 0.001
3610 reflections Δρmax = 0.27 e Å3
223 parameters Δρmin = −0.31 e Å3
114 restraints Absolute structure: Flack (1983), 2085 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.06 (17)