Skip to main content
. 2009 Mar 25;65(Pt 4):o867–o868. doi: 10.1107/S160053680900926X
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)] = 0.074 H-atom parameters constrained
wR(F2) = 0.261 w = 1/[σ2(Fo2) + (0.1483P)2 + 0.6898P] where P = (Fo2 + 2Fc2)/3
S = 1.28 (Δ/σ)max < 0.001
2371 reflections Δρmax = 0.45 e Å3
193 parameters Δρmin = −0.37 e Å3
0 restraints Extinction correction: SHELXS97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods Extinction coefficient: 0.021 (8)