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. 2008 Nov 13;64(Pt 12):o2350. doi: 10.1107/S160053680803715X
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)] = 0.039 H-atom parameters constrained
wR(F2) = 0.120   w = 1/[σ2(Fo2) + (0.0686P)2 + 2.6543P] where P = (Fo2 + 2Fc2)/3
S = 1.06 (Δ/σ)max = 0.001
2705 reflections Δρmax = 0.32 e Å3
166 parameters Δρmin = −0.32 e Å3
Primary atom site location: structure-invariant direct methods Extinction correction: none