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. 2009 Aug 8;65(Pt 9):o2086. doi: 10.1107/S1600536809030219
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)] = 0.039 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.103 H atoms treated by a mixture of independent and constrained refinement
S = 1.01 w = 1/[σ2(Fo2) + (0.043P)2 + 0.516P] where P = (Fo2 + 2Fc2)/3
3539 reflections (Δ/σ)max = 0.001
205 parameters Δρmax = 0.41 e Å3
1 restraint Δρmin = −0.52 e Å3