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. 2010 Nov 27;66(Pt 12):o3327. doi: 10.1107/S160053681004835X
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)] = 0.029 H-atom parameters constrained
wR(F2) = 0.071 w = 1/[σ2(Fo2) + (0.0346P)2 + 0.1693P] where P = (Fo2 + 2Fc2)/3
S = 1.07 (Δ/σ)max < 0.001
1791 reflections Δρmax = 0.14 e Å3
145 parameters Δρmin = −0.16 e Å3
0 restraints Absolute structure: Flack (1983), 728 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.01 (9)