Skip to main content
. 2011 Apr 13;67(Pt 5):m588–m589. doi: 10.1107/S1600536811012773
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)] = 0.047 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.129 H-atom parameters constrained
S = 1.07 w = 1/[σ2(Fo2) + (0.0591P)2 + 0.109P] where P = (Fo2 + 2Fc2)/3
4623 reflections (Δ/σ)max = 0.001
215 parameters Δρmax = 0.54 e Å3
0 restraints Δρmin = −0.52 e Å3