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. 2010 Aug 28;66(Pt 9):o2459. doi: 10.1107/S1600536810034276
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)] = 0.039 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.103 All H-atom parameters refined
S = 1.06 w = 1/[σ2(Fo2) + (0.049P)2 + 0.163P] where P = (Fo2 + 2Fc2)/3
2371 reflections (Δ/σ)max < 0.001
148 parameters Δρmax = 0.32 e Å3
0 restraints Δρmin = −0.20 e Å3