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. 2015 Aug 12;71(Pt 9):o655–o656. doi: 10.1107/S2056989015014796
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)] = 0.031 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.092 H atoms treated by a mixture of independent and constrained refinement
S = 1.07 W = 1/[Σ2(FO2) + (0.0539P)2 + 0.2679P] where P = (FO2 + 2FC2)/3
4073 reflections (Δ/σ)max < 0.001
166 parameters Δρmax = 0.50 e Å3
0 restraints Δρmin = −0.22 e Å3