journal menu
![[Figure 2]](cu3146fig2mag.jpg)
|
|
Figure 2
(Left) Difference electron-density map computed using low-temperature data, after refining the full disordered model but omitting hydroxy H atoms. Grey molecules correspond to the main part A/B (occupancy 0.74) and gold molecules to the minor part C/D (occupancy 0.26); hydroxy O atoms are represented with magenta ellipsoids. Two tetramers are displayed in a projection along the threefold crystallographic axis. The difference map is plotted at the 0.33 e Å−3 level (green wire for Δρ > 0 and red wire for Δρ < 0; Dolomanov et al., 2009  ). Note how most of the positive residuals are concentrated within the cavity delimited by the eight clustered O atoms. The inset is the crystal used for data collection. Note the triangular face on the top of the crystal, corresponding to the (003) face. (Right) Final model, including 24 disordered hydroxy H atoms, shown as green spheres with a radius corresponding to 33% of the van der Waals radius. All C and O atoms are displayed with displacement ellipsoids at the 20% probability level (Mercury; Macrae et al., 2008). |
![[Figure 2]](cu3146fig2.jpg)
 | STRUCTURAL CHEMISTRY |
ISSN: 2053-2296
Open 
access
access
