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. 2008 Oct 25;64(Pt 11):o2194. doi: 10.1107/S1600536808034028
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)] = 0.067 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.241 H-atom parameters constrained
S = 1.01 w = 1/[σ2(Fo2) + (0.1393P)2 + 1.1164P] where P = (Fo2 + 2Fc2)/3
3994 reflections (Δ/σ)max = 0.015
293 parameters Δρmax = 0.57 e Å3
4 restraints Δρmin = −0.25 e Å3