Information card for entry 7714006
| Formula |
C49 H40 Cu I N4 P2 |
| Calculated formula |
C49 H40 Cu I N4 P2 |
| Title of publication |
Mononuclear copper(I) complexes bearing 3-phenyl-5-(pyridin-4-yl)-1, 2, 4-triazole ligand: synthesis, crystal structure, TADF-luminescence, and mechanochromic effects |
| Authors of publication |
Gusev, Alexey N.; Braga, Elena; Zamnius, Ekaterina; Kiskin, Mikhail A.; Ali, Amjad; Baryshnikov, Glib; Linert, Wolfgang |
| Journal of publication |
Dalton Transactions |
| Year of publication |
2023 |
| a |
11.13 ± 0.003 Å |
| b |
13.148 ± 0.004 Å |
| c |
17.218 ± 0.007 Å |
| α |
67.595 ± 0.005° |
| β |
73.923 ± 0.011° |
| γ |
77.448 ± 0.009° |
| Cell volume |
2220.5 ± 1.3 Å3 |
| Cell temperature |
100 K |
| Ambient diffraction temperature |
100 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0357 |
| Residual factor for significantly intense reflections |
0.0298 |
| Weighted residual factors for significantly intense reflections |
0.0728 |
| Weighted residual factors for all reflections included in the refinement |
0.0755 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.035 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7714006.html
