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. 2008 Dec 13;65(Pt 1):o121–o122. doi: 10.1107/S1600536808042086
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)] = 0.078 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.241 H-atom parameters constrained
S = 1.09 w = 1/[σ2(Fo2) + (0.1604P)2 + 1.5464P] where P = (Fo2 + 2Fc2)/3
4010 reflections (Δ/σ)max = 0.001
266 parameters Δρmax = 0.75 e Å3
0 restraints Δρmin = −1.13 e Å3