Skip to main content
. 2012 Jan 21;68(Pt 2):m200–m201. doi: 10.1107/S1600536812002218
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)] = 0.051 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.157 H atoms treated by a mixture of independent and constrained refinement
S = 1.26 w = 1/[σ2(Fo2) + (0.0492P)2 + 5.1781P] where P = (Fo2 + 2Fc2)/3
3723 reflections (Δ/σ)max < 0.001
256 parameters Δρmax = 0.86 e Å3
12 restraints Δρmin = −0.69 e Å3