Skip to main content
. 2011 Apr 29;67(Pt 5):o1280–o1281. doi: 10.1107/S1600536811015376
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)] = 0.036 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.092 H atoms treated by a mixture of independent and constrained refinement
S = 1.03 w = 1/[σ2(Fo2) + (0.0506P)2] where P = (Fo2 + 2Fc2)/3
4486 reflections (Δ/σ)max = 0.004
280 parameters Δρmax = 0.47 e Å3
24 restraints Δρmin = −0.27 e Å3