Crystal Structure of [Cu(NNN-pincer)-OH] (Me4N)
| Id | 7705175 |
| Common name | [Cu(NNN-pincer)-OH] (Me4N) |
| Chemical name | The crystal data of this complex were collected for several times after recrystalizations with the consideration of different solvents, Et2O diffusion, vaporation and decreasing the temperature and so on. Finally, a large crystal was chosen for data collection and the diffraction data gave the best result on the solution of crystal structure, which is presented in this report. The poor data could be attributed to the asymmetric parts of allyl chain (CH2-CH=CH2) and the methyl group in the 2,6-position of phenyl rings, which led to strong disordered models in this structure with cis and trans conformational isomer presenting occypancies of 0.73 and 0.27, respectively, in the final refinement. The bond lengths, bond angles and the temperature factors of disordered atoms were restrained by using commands of DFIX and DELU & SIMU. All the hydrogen atoms were added geometrically. |
| a (Å) | 18.1135(10) |
| b (Å) | 12.8871(6) |
| c (Å) | 12.7862(5) |
| α (°) | 90 |
| β (°) | 90 |
| γ (°) | 90 |
| V (Å3) | 2984.7(2) |
| Temperature (K) | 100(2) |
| Rint | 0.1262 |
Publication: Dalton transactions (Cambridge, England : 2003) (2020) 49, 35 12189-12196