Skip to main content
. 2010 Aug 18;66(Pt 9):o2339. doi: 10.1107/S1600536810032186
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.050 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.145 H atoms treated by a mixture of independent and constrained refinement
S = 1.07 w = 1/[σ2(Fo2) + (0.0755P)2 + 0.3053P] where P = (Fo2 + 2Fc2)/3
2825 reflections (Δ/σ)max < 0.001
190 parameters Δρmax = 0.38 e Å3
0 restraints Δρmin = −0.51 e Å3