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. 2008 Dec 24;65(Pt 1):o197. doi: 10.1107/S1600536808043201
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)] = 0.063 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.154 H-atom parameters constrained
S = 1.00 w = 1/[σ2(Fo2) + (0.060P)2 + 0.3P] where P = (Fo2 + 2Fc2)/3
1757 reflections (Δ/σ)max < 0.001
220 parameters Δρmax = 0.18 e Å3
2 restraints Δρmin = −0.27 e Å3