Skip to main content
. 2010 May 22;66(Pt 6):o1409. doi: 10.1107/S1600536810017897
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)] = 0.039 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.114 H atoms treated by a mixture of independent and constrained refinement
S = 0.98 w = 1/[σ2(Fo2) + (0.0716P)2 + 0.9009P] where P = (Fo2 + 2Fc2)/3
2506 reflections (Δ/σ)max = 0.001
123 parameters Δρmax = 0.39 e Å3
1 restraint Δρmin = −0.21 e Å3