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. 2008 Jun 19;64(Pt 7):o1299. doi: 10.1107/S1600536808018230
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) = 0.108   w = 1/[σ2(Fo2) + (0.0851P)2] where P = (Fo2 + 2Fc2)/3
S = 0.98 (Δ/σ)max = 0.001
2504 reflections Δρmax = 0.13 e Å3
307 parameters Δρmin = −0.14 e Å3
35 restraints Extinction correction: none
Primary atom site location: structure-invariant direct methods Absolute structure: Flack (1983), 2493 Friedel pairs