Skip to main content
. 2007 Dec 6;64(Pt 1):o148. doi: 10.1107/S1600536807063052
Refinement on F2 Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.026   w = 1/[σ2(Fo2) + (0.0308P)2] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.066 (Δ/σ)max = 0.001
S = 0.87 Δρmax = 0.20 e Å3
3448 reflections Δρmin = −0.20 e Å3
182 parameters Extinction correction: none
1 restraint Absolute structure: Flack (1983), 1477 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.011 (7)
Secondary atom site location: difference Fourier map