Skip to main content
. 2009 Jan 14;65(Pt 2):o317–o318. doi: 10.1107/S1600536809001123
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)] = 0.033 Hydrogen site location: difference Fourier map
wR(F2) = 0.093 All H-atom parameters refined
S = 0.69 w = 1/[σ2(Fo2) + (0.0834P)2 + 0.9466P] where P = (Fo2 + 2Fc2)/3
1352 reflections (Δ/σ)max = 0.004
121 parameters Δρmax = 0.23 e Å3
0 restraints Δρmin = −0.20 e Å3
32 constraints