Skip to main content
. 2014 Oct 15;70(Pt 11):m369–m370. doi: 10.1107/S1600536814022120
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)] = 0.031 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.087 H-atom parameters constrained
S = 1.16 w = 1/[σ2(Fo2) + (0.0432P)2] where P = (Fo2 + 2Fc2)/3
2979 reflections (Δ/σ)max = 0.001
236 parameters Δρmax = 0.23 e Å3
0 restraints Δρmin = −0.18 e Å3