Skip to main content
. 2011 Feb 19;67(Pt 3):o659. doi: 10.1107/S1600536811005320
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)] = 0.032 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.068 H atoms treated by a mixture of independent and constrained refinement
S = 1.06 w = 1/[σ2(Fo2) + (0.0213P)2] where P = (Fo2 + 2Fc2)/3
2633 reflections (Δ/σ)max < 0.001
151 parameters Δρmax = 0.55 e Å3
0 restraints Δρmin = −0.60 e Å3