Skip to main content
. 2019 Apr 2;75(Pt 5):562–564. doi: 10.1107/S2056989019004109
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)] = 0.041 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.101 H-atom parameters constrained
S = 1.04 w = 1/[σ2(Fo2) + (0.046P)2 + 2.6033P] where P = (Fo2 + 2Fc2)/3
5181 reflections (Δ/σ)max = 0.001
273 parameters Δρmax = 0.33 e Å3
0 restraints Δρmin = −0.21 e Å3