Skip to main content
. 2012 Nov 30;68(Pt 12):o3501. doi: 10.1107/S1600536812048647
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)] = 0.046 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.095 H atoms treated by a mixture of independent and constrained refinement
S = 1.16 w = 1/[σ2(Fo2) + (0.0365P)2 + 0.2296P] where P = (Fo2 + 2Fc2)/3
2866 reflections (Δ/σ)max < 0.001
225 parameters Δρmax = 0.15 e Å3
2 restraints Δρmin = −0.17 e Å3