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. 2010 Nov 13;66(Pt 12):o3183. doi: 10.1107/S1600536810046350
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)] = 0.040 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.110 All H-atom parameters refined
S = 1.05 w = 1/[σ2(Fo2) + (0.0463P)2 + 1.197P] where P = (Fo2 + 2Fc2)/3
2549 reflections (Δ/σ)max = 0.001
255 parameters Δρmax = 0.15 e Å3
0 restraints Δρmin = −0.19 e Å3