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. 2007 Dec 6;64(Pt 1):o33. doi: 10.1107/S1600536807060941
Refinement on F2 Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.037   w = 1/[σ2(Fo2) + (0.0576P)2 + 0.4358P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.110 (Δ/σ)max = 0.002
S = 1.09 Δρmax = 0.23 e Å3
2206 reflections Δρmin = −0.12 e Å3
156 parameters Extinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods Extinction coefficient: 0.030 (2)
Secondary atom site location: difference Fourier map