Skip to main content
. 2008 Oct 9;64(Pt 11):m1369. doi: 10.1107/S1600536808023817
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)] = 0.065 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.193 w = 1/[σ2(Fo2) + (0.0676P)2 + 6.1136P] where P = (Fo2 + 2Fc2)/3
S = 1.04 (Δ/σ)max < 0.001
3141 reflections Δρmax = 0.43 e Å3
154 parameters Δρmin = −0.39 e Å3
3 restraints Absolute structure: Flack (1983), 1350 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.48 (20)