Skip to main content
. 2015 Sep 12;71(Pt 10):o719–o720. doi: 10.1107/S2056989015016503
Refinement on F2 Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.037 H-atom parameters constrained
wR(F2) = 0.095 w = 1/[σ2(Fo2) + (0.0374P)2 + 0.1404P] where P = (Fo2 + 2Fc2)/3
S = 1.08 (Δ/σ)max < 0.001
1329 reflections Δρmax = 0.32 e Å3
115 parameters Δρmin = −0.23 e Å3
0 restraints Extinction correction: SHELXL2013 (Sheldrick, 2015)
Primary atom site location: structure-invariant direct methods Extinction coefficient: 0.125 (6)
Secondary atom site location: difference Fourier map