Skip to main content
. 2012 Jun 27;68(Pt 7):o2233. doi: 10.1107/S1600536812028371
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)] = 0.046 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.135 H atoms treated by a mixture of independent and constrained refinement
S = 1.03 w = 1/[σ2(Fo2) + (0.0682P)2 + 0.1935P] where P = (Fo2 + 2Fc2)/3
4302 reflections (Δ/σ)max = 0.001
254 parameters Δρmax = 0.27 e Å3
4 restraints Δρmin = −0.20 e Å3