Skip to main content
. 2014 Jul 31;70(Pt 8):o883. doi: 10.1107/S1600536814016638
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)] = 0.053 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.175 H atoms treated by a mixture of independent and constrained refinement
S = 1.04 w = 1/[σ2(Fo2) + (0.070P)2 + 0.8065P] where P = (Fo2 + 2Fc2)/3
5367 reflections (Δ/σ)max < 0.001
275 parameters Δρmax = 0.25 e Å3
0 restraints Δρmin = −0.23 e Å3