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. 2008 Nov 13;64(Pt 12):o2325. doi: 10.1107/S1600536808036623
Refinement on F2 Secondary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.037 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.108   w = 1/[σ2(Fo2) + (0.0587P)2 + 0.2177P] where P = (Fo2 + 2Fc2)/3
S = 1.05 (Δ/σ)max = 0.001
2824 reflections Δρmax = 0.16 e Å3
205 parameters Δρmin = −0.24 e Å3
Primary atom site location: structure-invariant direct methods Extinction correction: none