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. 2008 Aug 6;64(Pt 9):o1693. doi: 10.1107/S1600536808024483
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)] = 0.049 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.130   w = 1/[σ2(Fo2) + (0.0693P)2 + 0.0505P] where P = (Fo2 + 2Fc2)/3
S = 1.06 (Δ/σ)max = 0.001
1808 reflections Δρmax = 0.19 e Å3
201 parameters Δρmin = −0.24 e Å3
4 restraints Extinction correction: none
Primary atom site location: structure-invariant direct methods