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. 2009 Sep 5;65(Pt 10):m1174–m1175. doi: 10.1107/S1600536809034849
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)] = 0.037 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.096 H atoms treated by a mixture of independent and constrained refinement
S = 1.06 w = 1/[σ2(Fo2) + (0.0439P)2 + 1.0235P] where P = (Fo2 + 2Fc2)/3
8911 reflections (Δ/σ)max = 0.003
458 parameters Δρmax = 0.61 e Å3
2 restraints Δρmin = −0.41 e Å3