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. 2011 May 7;67(Pt 6):o1313–o1314. doi: 10.1107/S160053681101614X
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) = 0.126 H-atom parameters constrained
S = 1.04 w = 1/[σ2(Fo2) + (0.0608P)2 + 0.6186P] where P = (Fo2 + 2Fc2)/3
5994 reflections (Δ/σ)max < 0.001
226 parameters Δρmax = 0.47 e Å3
0 restraints Δρmin = −0.21 e Å3