Skip to main content
. 2010 Jan 20;66(Pt 2):o411–o412. doi: 10.1107/S1600536810000577
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)] = 0.059 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.158 H atoms treated by a mixture of independent and constrained refinement
S = 1.06 w = 1/[σ2(Fo2) + (0.0615P)2 + 3.3059P] where P = (Fo2 + 2Fc2)/3
8082 reflections (Δ/σ)max = 0.001
640 parameters Δρmax = 0.50 e Å3
0 restraints Δρmin = −0.27 e Å3