Skip to main content
. 2014 Feb 22;70(Pt 3):o346–o347. doi: 10.1107/S1600536814003845
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)] = 0.079 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.214 H atoms treated by a mixture of independent and constrained refinement
S = 1.16 w = 1/[σ2(Fo2) + (0.0293P)2 + 3.1387P] where P = (Fo2 + 2Fc2)/3
11615 reflections (Δ/σ)max < 0.001
161 parameters Δρmax = 0.30 e Å3
0 restraints Δρmin = −0.27 e Å3