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. 2011 Nov 16;67(Pt 12):o3327–o3328. doi: 10.1107/S1600536811047660
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)] = 0.065 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.180 H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0622P)2 + 1.2079P] where P = (Fo2 + 2Fc2)/3
7441 reflections (Δ/σ)max = 0.001
345 parameters Δρmax = 0.28 e Å3
0 restraints Δρmin = −0.18 e Å3