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. 2012 May 31;68(Pt 6):m847–m848. doi: 10.1107/S1600536812023732
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)] = 0.062 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.131 H atoms treated by a mixture of independent and constrained refinement
S = 0.87 w = 1/[σ2(Fo2) + (0.0293P)2] where P = (Fo2 + 2Fc2)/3
3418 reflections (Δ/σ)max = 0.001
283 parameters Δρmax = 0.52 e Å3
20 restraints Δρmin = −0.52 e Å3