Skip to main content
. 2012 Jun 13;68(Pt 7):o2044. doi: 10.1107/S1600536812025238
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)] = 0.052 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.143 H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0688P)2] where P = (Fo2 + 2Fc2)/3
3328 reflections (Δ/σ)max < 0.001
247 parameters Δρmax = 0.16 e Å3
0 restraints Δρmin = −0.22 e Å3