Skip to main content
. 2012 Feb 17;68(Pt 3):o745. doi: 10.1107/S1600536812005892
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)] = 0.066 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.161 H-atom parameters constrained
S = 1.01 w = 1/[σ2(Fo2) + (0.060P)2] where P = (Fo2 + 2Fc2)/3
3353 reflections (Δ/σ)max < 0.001
235 parameters Δρmax = 0.21 e Å3
0 restraints Δρmin = −0.19 e Å3