Skip to main content
. 2013 Oct 16;69(Pt 11):o1646–o1647. doi: 10.1107/S1600536813027931
Refinement on F2 Secondary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.020 H-atom parameters constrained
wR(F2) = 0.051 w = 1/[σ2(Fo2) + (0.0319P)2 + 0.5639P] where P = (Fo2 + 2Fc2)/3
S = 1.06 (Δ/σ)max = 0.001
3103 reflections Δρmax = 1.05 e Å3
175 parameters Δρmin = −0.30 e Å3
0 restraints Absolute structure: Flack (1983), 1274 Friedel pairs
Primary atom site location: structure-invariant direct methods Absolute structure parameter: −0.015 (17)