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. 2011 Jul 13;67(Pt 8):o2008. doi: 10.1107/S1600536811026286
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)] = 0.050 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.145 All H-atom parameters refined
S = 1.00 w = 1/[σ2(Fo2) + (0.0759P)2] where P = (Fo2 + 2Fc2)/3
3487 reflections (Δ/σ)max = 0.004
190 parameters Δρmax = 0.56 e Å3
0 restraints Δρmin = −0.39 e Å3