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. 2010 Oct 31;66(Pt 11):o3022–o3023. doi: 10.1107/S1600536810043837
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)] = 0.036 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.101 H atoms treated by a mixture of independent and constrained refinement
S = 1.05 w = 1/[σ2(Fo2) + (0.0509P)2 + 0.2749P] where P = (Fo2 + 2Fc2)/3
6698 reflections (Δ/σ)max = 0.001
222 parameters Δρmax = 0.54 e Å3
0 restraints Δρmin = −0.34 e Å3