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. 2012 Jan 31;68(Pt 2):o542. doi: 10.1107/S1600536812003145
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)] = 0.037 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.090 H-atom parameters constrained
S = 0.98 w = 1/[σ2(Fo2) + (0.0436P)2] where P = (Fo2 + 2Fc2)/3
9251 reflections (Δ/σ)max = 0.001
525 parameters Δρmax = 0.18 e Å3
0 restraints Δρmin = −0.22 e Å3