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. 2013 Oct 12;69(Pt 11):o1633–o1634. doi: 10.1107/S1600536813027505
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)] = 0.049 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.125 H atoms treated by a mixture of independent and constrained refinement
S = 1.09 w = 1/[σ2(Fo2) + (0.0486P)2 + 3.6577P] where P = (Fo2 + 2Fc2)/3
4360 reflections (Δ/σ)max = 0.023
316 parameters Δρmax = 0.94 e Å3
53 restraints Δρmin = −1.04 e Å3