Skip to main content
. 2018 Oct 23;74(Pt 11):1648–1652. doi: 10.1107/S2056989018014561
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.047 Hydrogen site location: difference Fourier map
wR(F2) = 0.151 All H-atom parameters refined
S = 1.01 w = 1/[σ2(Fo2) + (0.0726P)2] where P = (Fo2 + 2Fc2)/3
14566 reflections (Δ/σ)max < 0.001
286 parameters Δρmax = 0.90 e Å3
0 restraints Δρmin = −0.53 e Å3