Skip to main content
. 2008 Aug 20;64(Pt 9):o1785. doi: 10.1107/S1600536808026032
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)] = 0.048 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.121   w = 1/[σ2(Fo2) + (0.0289P)2 + 0.445P] where P = (Fo2 + 2Fc2)/3
S = 1.03 (Δ/σ)max < 0.001
2485 reflections Δρmax = 0.33 e Å3
178 parameters Δρmin = −0.26 e Å3
Primary atom site location: structure-invariant direct methods Extinction correction: none