Skip to main content
. 2008 Mar 12;64(Pt 4):m533–m534. doi: 10.1107/S1600536808006260
Refinement on F2 Secondary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.051 H-atom parameters constrained
wR(F2) = 0.136   w = 1/[σ2(Fo2) + (0.0572P)2 + 1.3813P] where P = (Fo2 + 2Fc2)/3
S = 1.06 (Δ/σ)max = 0.001
8576 reflections Δρmax = 0.49 e Å3
549 parameters Δρmin = −0.52 e Å3
20 restraints Extinction correction: none
Primary atom site location: structure-invariant direct methods