Skip to main content
. 2014 Jun 18;70(Pt 7):o785. doi: 10.1107/S1600536814011611
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)] = 0.060 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.137 H-atom parameters constrained
S = 1.06 w = 1/[σ2(Fo2) + (0.0373P)2 + 6.0132P] where P = (Fo2 + 2Fc2)/3
5336 reflections (Δ/σ)max < 0.001
253 parameters Δρmax = 0.41 e Å3
0 restraints Δρmin = −0.37 e Å3