Skip to main content
. 2019 Mar 26;75(Pt 4):499–505. doi: 10.1107/S2056989019003694
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)] = 0.050 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.122 H-atom parameters constrained
S = 1.10 w = 1/[σ2(Fo2) + (0.0441P)2 + 2.5669P] where P = (Fo2 + 2Fc2)/3
2132 reflections (Δ/σ)max = 0.001
212 parameters Δρmax = 0.28 e Å3
44 restraints Δρmin = −0.20 e Å3