Information card for entry 7714004
| Formula |
C50 H41.5 Cl Cu N4.5 P2 |
| Calculated formula |
C50 H40 Cl Cu N4.5 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 |
10.4535 ± 0.0006 Å |
| b |
14.248 ± 0.0007 Å |
| c |
16.8455 ± 0.001 Å |
| α |
108.465 ± 0.002° |
| β |
97.843 ± 0.002° |
| γ |
111.063 ± 0.001° |
| Cell volume |
2130.2 ± 0.2 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100.15 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 |
0.0637 |
| Residual factor for significantly intense reflections |
0.0496 |
| Weighted residual factors for significantly intense reflections |
0.1125 |
| Weighted residual factors for all reflections included in the refinement |
0.1246 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.014 |
| 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/7714004.html
