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. 2007 Dec 6;64(Pt 1):m8–m9. doi: 10.1107/S160053680706151X
Refinement on F2 Secondary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.041 H-atom parameters constrained
wR(F2) = 0.137   w = 1/[σ2(Fo2) + (0.095P)2] where P = (Fo2 + 2Fc2)/3
S = 1.00 (Δ/σ)max = 0.001
6166 reflections Δρmax = 1.01 e Å3
346 parameters Δρmin = −1.34 e Å3
1 restraint Extinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods Extinction coefficient: 0.0023 (3)