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. 2008 Jan 23;64(Pt 2):o496–o497. doi: 10.1107/S1600536808001426
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)] = 0.042 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.102   w = 1/[σ2(Fo2) + (0.045P)2 + 6.2243P] where P = (Fo2 + 2Fc2)/3
S = 1.12 (Δ/σ)max = 0.017
2789 reflections Δρmax = 2.44 e Å3
172 parameters Δρmin = −1.03 e Å3
Primary atom site location: structure-invariant direct methods Extinction correction: none