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. 2010 Oct 20;66(Pt 11):o2844. doi: 10.1107/S1600536810040559
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) = 0.090 H atoms treated by a mixture of independent and constrained refinement
S = 1.03 w = 1/[σ2(Fo2) + (0.0535P)2 + 0.0302P] where P = (Fo2 + 2Fc2)/3
3298 reflections (Δ/σ)max = 0.001
323 parameters Δρmax = 0.21 e Å3
1 restraint Δρmin = −0.18 e Å3