Skip to main content
. 2014 Jul 19;70(Pt 8):80–83. doi: 10.1107/S1600536814014779
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)] = 0.091 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.221 H-atom parameters constrained
S = 1.10 w = 1/[σ2(Fo2) + (0.0516P)2 + 20.691P] where P = (Fo2 + 2Fc2)/3
9645 reflections (Δ/σ)max < 0.001
608 parameters Δρmax = 2.94 e Å3
24 restraints Δρmin = −1.34 e Å3