Skip to main content
. 2007 Dec 6;64(Pt 1):o142. doi: 10.1107/S1600536807063374
Refinement on F2 Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.045   w = 1/[σ2(Fo2) + (0.0588P)2 + 0.4395P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.132 (Δ/σ)max < 0.001
S = 1.09 Δρmax = 0.31 e Å3
2764 reflections Δρmin = −0.41 e Å3
173 parameters Extinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods Extinction coefficient: 0.115 (6)
Secondary atom site location: difference Fourier map