Skip to main content
. 2011 Apr 29;67(Pt 5):o1282. doi: 10.1107/S1600536811015625
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)] = 0.074 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.214 H-atom parameters constrained
S = 1.07 w = 1/[σ2(Fo2) + (0.0979P)2 + 0.8991P] where P = (Fo2 + 2Fc2)/3
4507 reflections (Δ/σ)max < 0.001
363 parameters Δρmax = 0.45 e Å3
198 restraints Δρmin = −0.52 e Å3