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. 2009 Jun 24;65(Pt 7):o1674. doi: 10.1107/S1600536809023435
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 atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.079 w = 1/[σ2(Fo2) + (0.0549P)2 + 0.0014P] where P = (Fo2 + 2Fc2)/3
S = 1.07 (Δ/σ)max = 0.002
3603 reflections Δρmax = 0.19 e Å3
193 parameters Δρmin = −0.22 e Å3
1 restraint Absolute structure: Flack (1983), 1621 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: −0.07 (4)