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. 2008 Dec 13;65(Pt 1):o120. doi: 10.1107/S1600536808041780
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)] = 0.033 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.097 H-atom parameters constrained
S = 1.07 w = 1/[σ2(Fo2) + (0.0455P)2 + 0.774P] where P = (Fo2 + 2Fc2)/3
9693 reflections (Δ/σ)max = 0.003
211 parameters Δρmax = 0.71 e Å3
0 restraints Δρmin = −0.56 e Å3