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. 2010 Nov 6;66(Pt 12):o3047. doi: 10.1107/S1600536810044119
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)] = 0.062 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.194 H-atom parameters constrained
S = 0.99 w = 1/[σ2(Fo2) + (0.1027P)2] where P = (Fo2 + 2Fc2)/3
5726 reflections (Δ/σ)max = 0.001
663 parameters Δρmax = 0.29 e Å3
2 restraints Δρmin = −0.18 e Å3