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. 2012 Feb 29;68(Pt 3):o888. doi: 10.1107/S1600536812007854
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.062 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.152 H atoms treated by a mixture of independent and constrained refinement
S = 1.16 w = 1/[σ2(Fo2) + (0.0409P)2 + 3.5546P] where P = (Fo2 + 2Fc2)/3
2863 reflections (Δ/σ)max = 0.015
203 parameters Δρmax = 0.32 e Å3
7 restraints Δρmin = −0.21 e Å3