Skip to main content
. 2010 Jul 17;66(Pt 8):m952. doi: 10.1107/S1600536810028138
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)] = 0.020 H-atom parameters constrained
wR(F2) = 0.040 w = 1/[σ2(Fo2) + (0.0109P)2 + 2.5249P] where P = (Fo2 + 2Fc2)/3
S = 1.07 (Δ/σ)max = 0.002
2281 reflections Δρmax = 0.72 e Å3
92 parameters Δρmin = −0.79 e Å3
0 restraints Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods Extinction coefficient: 0.00244 (8)