Skip to main content
. 2008 Aug 30;64(Pt 9):m1211–m1212. doi: 10.1107/S1600536808027104
Refinement on F2 Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.066   w = 1/[σ2(Fo2) + (0.0545P)2 + 2.0209P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.150 (Δ/σ)max = 0.045
S = 1.08 Δρmax = 0.29 e Å3
7167 reflections Δρmin = −0.30 e Å3
307 parameters Extinction correction: none
1 restraint Absolute structure: Flack (1983), 3320 Friedel pairs
Primary atom site location: structure-invariant direct methods Flack parameter: 0.07 (3)
Secondary atom site location: difference Fourier map