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. 2012 Feb 17;68(Pt 3):o752. doi: 10.1107/S1600536812003601
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)] = 0.027 H-atom parameters constrained
wR(F2) = 0.065 w = 1/[σ2(Fo2) + (0.0385P)2] where P = (Fo2 + 2Fc2)/3
S = 1.04 (Δ/σ)max < 0.001
1873 reflections Δρmax = 0.20 e Å3
120 parameters Δρmin = −0.26 e Å3
0 restraints Absolute structure: Flack (1983), with 758 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: −0.07 (7)