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. 2010 Oct 31;66(Pt 11):o2975. doi: 10.1107/S160053681004362X
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)] = 0.037 H-atom parameters constrained
wR(F2) = 0.109 w = 1/[σ2(Fo2) + (0.069P)2 + 0.231P] where P = (Fo2 + 2Fc2)/3
S = 1.05 (Δ/σ)max < 0.001
2264 reflections Δρmax = 0.25 e Å3
122 parameters Δρmin = −0.16 e Å3
1 restraint Absolute structure: Flack (1983), with how many Friedel pairs?
Primary atom site location: structure-invariant direct methods Flack parameter: 1.2 (12)