Skip to main content
. 2015 Dec 19;71(Pt 12):o1067–o1068. doi: 10.1107/S2056989015023907
Refinement on F2 Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.078 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.236 H-atom parameters constrained
S = 1.05 w = 1/[σ2(Fo2) + (0.0926P)2 + 4.1576P] where P = (Fo2 + 2Fc2)/3
2721 reflections (Δ/σ)max < 0.001
145 parameters Δρmax = 1.37 e Å3
0 restraints Δρmin = −0.46 e Å3
Primary atom site location: structure-invariant direct methods