Skip to main content
. 2010 Feb 13;66(Pt 3):o620. doi: 10.1107/S1600536810005386
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)] = 0.038 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.102 H atoms treated by a mixture of independent and constrained refinement
S = 1.00 w = 1/[σ2(Fo2) + (0.0603P)2] where P = (Fo2 + 2Fc2)/3
1699 reflections (Δ/σ)max = 0.001
192 parameters Δρmax = 0.12 e Å3
3 restraints Δρmin = −0.16 e Å3