Skip to main content
. 2011 Feb 16;67(Pt 3):o644. doi: 10.1107/S1600536811004843
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)] = 0.042 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.112 H atoms treated by a mixture of independent and constrained refinement
S = 1.08 w = 1/[σ2(Fo2) + (0.0616P)2 + 0.8651P] where P = (Fo2 + 2Fc2)/3
2520 reflections (Δ/σ)max = 0.003
144 parameters Δρmax = 0.70 e Å3
2 restraints Δρmin = −0.19 e Å3