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. 2013 Jun 29;69(Pt 7):o1171. doi: 10.1107/S160053681301739X
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) = 0.078 H-atom parameters constrained
S = 1.08 w = 1/[σ2(Fo2) + (0.0323P)2 + 1.0404P] where P = (Fo2 + 2Fc2)/3
8145 reflections (Δ/σ)max = 0.001
407 parameters Δρmax = 0.85 e Å3
0 restraints Δρmin = −0.51 e Å3