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. 2014 Feb 15;70(Pt 3):o293. doi: 10.1107/S1600536814002955
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)] = 0.032 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.090 All H-atom parameters refined
S = 1.03 w = 1/[σ2(Fo2) + (0.0552P)2 + 0.2944P] where P = (Fo2 + 2Fc2)/3
1821 reflections (Δ/σ)max < 0.001
164 parameters Δρmax = 0.33 e Å3
4 restraints Δρmin = −0.25 e Å3