Skip to main content
. 2008 Jun 7;64(Pt 7):o1194. doi: 10.1107/S1600536808016152
Refinement on F2 Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.046   w = 1/[σ2(Fo2) + (0.P)2 + 0.5P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.126 (Δ/σ)max < 0.001
S = 1.00 Δρmax = 0.16 e Å3
861 reflections Δρmin = −0.20 e Å3
103 parameters Extinction correction: none
Primary atom site location: structure-invariant direct methods Absolute structure: Flack (1983), 92 Friedel pairs
Secondary atom site location: difference Fourier map Flack parameter: 0.18 (17)