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. 2012 Jun 13;68(Pt 7):o2057–o2058. doi: 10.1107/S1600536812025883
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)] = 0.049 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.139 H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.0728P)2 + 0.0527P] where P = (Fo2 + 2Fc2)/3
4329 reflections (Δ/σ)max = 0.001
298 parameters Δρmax = 0.34 e Å3
0 restraints Δρmin = −0.36 e Å3