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. 2014 May 3;70(Pt 6):o629–o630. doi: 10.1107/S160053681400751X
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)] = 0.054 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.217 H-atom parameters constrained
S = 1.00 w = 1/[σ2(Fo2) + (0.1095P)2 + 0.2217P] where P = (Fo2 + 2Fc2)/3
5069 reflections (Δ/σ)max < 0.001
181 parameters Δρmax = 0.43 e Å3
0 restraints Δρmin = −0.51 e Å3