Skip to main content
. 2012 Jul 7;68(Pt 8):o2389. doi: 10.1107/S1600536812030115
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)] = 0.040 Hydrogen site location: difference Fourier map
wR(F2) = 0.110 H atoms treated by a mixture of independent and constrained refinement
S = 1.02 w = 1/[σ2(Fo2) + (0.0702P)2] where P = (Fo2 + 2Fc2)/3
5194 reflections (Δ/σ)max = 0.001
290 parameters Δρmax = 0.16 e Å3
0 restraints Δρmin = −0.18 e Å3