Information card for entry 7714005
| Formula |
C99 H81.5 Br2 Cu2 N8.5 P4 |
| Calculated formula |
C99 H80 Br2 Cu2 N8.5 P4 |
| 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 |
11.0522 ± 0.0009 Å |
| b |
13.1316 ± 0.0009 Å |
| c |
17.1379 ± 0.0013 Å |
| α |
112.504 ± 0.002° |
| β |
96.207 ± 0.003° |
| γ |
102.344 ± 0.003° |
| Cell volume |
2194.5 ± 0.3 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150.15 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 |
0.1127 |
| Residual factor for significantly intense reflections |
0.0553 |
| Weighted residual factors for significantly intense reflections |
0.0988 |
| Weighted residual factors for all reflections included in the refinement |
0.1276 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.023 |
| 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/7714005.html
