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. 2009 Nov 7;65(Pt 12):o3026. doi: 10.1107/S1600536809046480
Refinement on F2 Secondary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.022 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.058 w = 1/[σ2(Fo2) + (0.0329P)2 + 0.0147P] where P = (Fo2 + 2Fc2)/3
S = 1.07 (Δ/σ)max = 0.002
3449 reflections Δρmax = 0.25 e Å3
100 parameters Δρmin = −0.17 e Å3
1 restraint Absolute structure: Flack (1983), 1600 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.00 (3)