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. 2013 Feb 2;69(Pt 3):o328–o329. doi: 10.1107/S1600536813001888
Refinement on F2 0 restraints
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.039 H-atom parameters constrained
wR(F2) = 0.114 w = 1/[σ2(Fo2) + (0.0662P)2 + 0.5679P] where P = (Fo2 + 2Fc2)/3
S = 1.02 (Δ/σ)max = 0.002
6100 reflections Δρmax = 0.90 e Å3
379 parameters Δρmin = −0.57 e Å3