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. 2011 Jan 12;67(Pt 2):o371–o372. doi: 10.1107/S1600536811001036
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)] = 0.034 H-atom parameters constrained
wR(F2) = 0.098 w = 1/[σ2(Fo2) + (0.0669P)2 + 0.1755P] where P = (Fo2 + 2Fc2)/3
S = 1.13 (Δ/σ)max = 0.001
1306 reflections Δρmax = 0.33 e Å3
86 parameters Δρmin = −0.34 e Å3
1 restraint Absolute structure: Flack (1983), 473 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.09 (3)