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. 2014 Oct 24;70(Pt 11):o1185–o1186. doi: 10.1107/S1600536814023046
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) = 0.153 H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.0628P)2 + 0.6453P] where P = (Fo2 + 2Fc2)/3
3945 reflections (Δ/σ)max < 0.001
211 parameters Δρmax = 0.64 e Å3
26 restraints Δρmin = −0.53 e Å3