Skip to main content
. 2009 Oct 3;65(Pt 11):o2648. doi: 10.1107/S160053680903815X
Refinement on F2 Secondary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.036 H-atom parameters constrained
wR(F2) = 0.079 w = 1/[σ2(Fo2) + (0.0258P)2 + 0.5496P] where P = (Fo2 + 2Fc2)/3
S = 1.04 (Δ/σ)max < 0.001
3129 reflections Δρmax = 1.20 e Å3
172 parameters Δρmin = −0.46 e Å3
1 restraint Absolute structure: Flack (1983), 1434 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.044 (9)