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. 2008 Aug 16;64(Pt 9):o1772–o1773. doi: 10.1107/S1600536808025695
Refinement on F2 Secondary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.055 H-atom parameters constrained
wR(F2) = 0.137   w = 1/[σ2(Fo2) + (0.0579P)2 + 1.0431P] where P = (Fo2 + 2Fc2)/3
S = 1.10 (Δ/σ)max = 0.001
6016 reflections Δρmax = 0.42 e Å3
312 parameters Δρmin = −0.45 e Å3
112 constraints Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods Extinction coefficient: 0.0058 (9)