Skip to main content
. 2016 May 17;72(Pt 6):815–818. doi: 10.1107/S2056989016007805
Refinement on F2 Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.067 w = 1/[σ2(Fo2) + (0.036P)2 + 0.9412P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.160 (Δ/σ)max < 0.001
S = 1.42 Δρmax = 0.24 e Å3
3480 reflections Δρmin = −0.27 e Å3
236 parameters Extinction correction: SHELXL2014 (Sheldrick, 2015), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
0 restraints Extinction coefficient: 0.0162 (17)