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. 2009 Nov 28;65(Pt 12):o3255–o3256. doi: 10.1107/S1600536809050508
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)] = 0.035 H-atom parameters constrained
wR(F2) = 0.083 w = 1/[σ2(Fo2) + (0.050P)2] where P = (Fo2 + 2Fc2)/3
S = 0.96 (Δ/σ)max = 0.001
1866 reflections Δρmax = 0.12 e Å3
190 parameters Δρmin = −0.13 e Å3
2 restraints Absolute structure: Flack (1983), 423 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.08 (7)