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. 2008 Apr 30;64(Pt 5):o931. doi: 10.1107/S1600536808011707
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)] = 0.073 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.151   w = 1/[σ2(Fo2) + (0.0551P)2 + 0.7563P] where P = (Fo2 + 2Fc2)/3
S = 1.16 (Δ/σ)max = 0.001
5001 reflections Δρmax = 0.33 e Å3
275 parameters Δρmin = −0.25 e Å3
Primary atom site location: structure-invariant direct methods Extinction correction: none