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. 2012 May 31;68(Pt 6):m838–m839. doi: 10.1107/S1600536812023707
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)] = 0.016 H-atom parameters constrained
wR(F2) = 0.042 w = 1/[σ2(Fo2) + (0.0205P)2 + 0.6778P] where P = (Fo2 + 2Fc2)/3
S = 1.05 (Δ/σ)max = 0.001
11176 reflections Δρmax = 0.78 e Å3
590 parameters Δρmin = −0.50 e Å3
1 restraint Absolute structure: Flack (1983), 5368 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.016 (10)