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. 2009 Oct 31;65(Pt 11):m1477–m1478. doi: 10.1107/S1600536809043839
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) = 0.047 H-atom parameters constrained
S = 0.96 w = 1/[σ2(Fo2) + (0.0085P)2] where P = (Fo2 + 2Fc2)/3
586 reflections (Δ/σ)max < 0.001
39 parameters Δρmax = 1.41 e Å3
6 restraints Δρmin = −1.59 e Å3