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. 2012 Feb 17;68(Pt 3):o761. doi: 10.1107/S1600536812006484
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)] = 0.014 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.039 H-atom parameters constrained
S = 1.04 w = 1/[σ2(Fo2) + (0.0188P)2 + 0.9351P] where P = (Fo2 + 2Fc2)/3
1841 reflections (Δ/σ)max = 0.002
110 parameters Δρmax = 0.42 e Å3
0 restraints Δρmin = −0.25 e Å3