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. 2008 Jul 5;64(Pt 8):o1378. doi: 10.1107/S160053680801917X
Refinement on F2 H-atom parameters constrained
Least-squares matrix: full   w = 1/[σ2(Fo2) + (0.06P)2 + 0.078P] where P = (Fo2 + 2Fc2)/3
R[F2 > 2σ(F2)] = 0.032 (Δ/σ)max < 0.001
wR(F2) = 0.086 Δρmax = 0.25 e Å3
S = 1.00 Δρmin = −0.22 e Å3
674 reflections Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
101 parameters Extinction coefficient: 0.069 (8)
Primary atom site location: structure-invariant direct methods Absolute structure: Flack (1983), with no Friedel pairs
Secondary atom site location: difference Fourier map Flack parameter: −0.11 (15)
Hydrogen site location: inferred from neighbouring sites