Crystal Structure of [Cu(NNN-ligand)]2 (Me4N)2 DMF
| Id | 7705177 |
| Common name | [Cu(NNN-ligand)]2 (Me4N)2 DMF |
| Chemical name | The asymmetric of methyland allyl groups in 2,6-positions of phenyl ring led to conformational isomer disorder with occypancies of 0.60 and 0.40 in this structure. The final refinement of disordered model of cation Me4N+ gave occupancies of 0.54 and 0.46. The DMF molecule was located in a symmetric position so that the occupancies of this molecule were set to half manually. The bond lengths, bond angles and the temperature factors of disordered DMF were restrained by using commands of DFIX and DELU & SIMU. The temperature of other disordered atoms was avaraged by DELU & SIMU commands only. All the hydrogen atoms were added geometrically. |
| a (Å) | 13.7621(4) |
| b (Å) | 21.9194(4) |
| c (Å) | 19.9436(4) |
| α (°) | 90 |
| β (°) | 90 |
| γ (°) | 90 |
| V (Å3) | 6016.1(2) |
| Temperature (K) | 100(2) |
| Rint | 0.0538 |
Publication: Dalton transactions (Cambridge, England : 2003) (2020) 49, 35 12189-12196