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. 2010 Nov 20;66(Pt 12):o3240. doi: 10.1107/S160053681004701X
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)] = 0.081 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.204 H atoms treated by a mixture of independent and constrained refinement
S = 0.94 w = 1/[σ2(Fo2) + (0.0757P)2] where P = (Fo2 + 2Fc2)/3
3466 reflections (Δ/σ)max < 0.001
222 parameters Δρmax = 0.23 e Å3
1 restraint Δρmin = −0.27 e Å3