Skip to main content
. 2011 Aug 27;67(Pt 9):o2449. doi: 10.1107/S1600536811033617
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)] = 0.048 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.116 H atoms treated by a mixture of independent and constrained refinement
S = 1.04 w = 1/[σ2(Fo2) + (0.0431P)2 + 0.7237P] where P = (Fo2 + 2Fc2)/3
3890 reflections (Δ/σ)max < 0.001
252 parameters Δρmax = 0.33 e Å3
2 restraints Δρmin = −0.23 e Å3