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. 2009 May 29;65(Pt 6):o1433–o1434. doi: 10.1107/S1600536809017607
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.054 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.156 H atoms treated by a mixture of independent and constrained refinement
S = 1.01 w = 1/[σ2(Fo2) + (0.0691P)2 + 1.3159P] where P = (Fo2 + 2Fc2)/3
2825 reflections (Δ/σ)max = 0.001
201 parameters Δρmax = 0.43 e Å3
4 restraints Δρmin = −0.46 e Å3