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. 2010 Jun 9;66(Pt 7):o1615–o1616. doi: 10.1107/S1600536810020362
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)] = 0.062 H-atom parameters constrained
wR(F2) = 0.156 w = 1/[σ2(Fo2) + (0.0685P)2] where P = (Fo2 + 2Fc2)/3
S = 1.00 (Δ/σ)max = 0.001
14652 reflections Δρmax = 1.11 e Å3
769 parameters Δρmin = −0.59 e Å3
249 restraints Absolute structure: Flack (1983), 6676 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.10 (9)