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. 2011 Jul 23;67(Pt 8):o2084–o2085. doi: 10.1107/S1600536811028170
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)] = 0.048 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.133 H atoms treated by a mixture of independent and constrained refinement
S = 1.00 w = 1/[σ2(Fo2) + (0.0621P)2 + 0.0886P] where P = (Fo2 + 2Fc2)/3
3863 reflections (Δ/σ)max < 0.001
222 parameters Δρmax = 0.17 e Å3
0 restraints Δρmin = −0.20 e Å3