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. 2009 Jun 17;65(Pt 7):o1610–o1611. doi: 10.1107/S1600536809022545
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)] = 0.038 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.093 H-atom parameters constrained
S = 0.98 w = 1/[σ2(Fo2) + (0.033P)2 + 1.5317P] where P = (Fo2 + 2Fc2)/3
3416 reflections (Δ/σ)max = 0.001
182 parameters Δρmax = 0.27 e Å3
0 restraints Δρmin = −0.29 e Å3