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. 2013 Nov 23;69(Pt 12):o1811. doi: 10.1107/S1600536813031140
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)] = 0.056 H-atom parameters constrained
wR(F2) = 0.255 w = 1/[σ2(Fo2) + (0.1473P)2 + 0.0601P] where P = (Fo2 + 2Fc2)/3
S = 1.04 (Δ/σ)max = 0.001
1579 reflections Δρmax = 0.16 e Å3
193 parameters Δρmin = −0.17 e Å3
33 restraints Absolute structure: see text
Primary atom site location: structure-invariant direct methods