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. 2010 Sep 11;66(Pt 10):o2548–o2549. doi: 10.1107/S1600536810036056
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)] = 0.034 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.094 H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.0533P)2 + 0.2404P] where P = (Fo2 + 2Fc2)/3
3930 reflections (Δ/σ)max = 0.001
181 parameters Δρmax = 0.49 e Å3
0 restraints Δρmin = −0.30 e Å3