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Information card for entry 7714004
Preview
| Coordinates | 7714004.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286474 (current) | 2023-09-23 | cif/ Adding structures of 7714004, 7714005, 7714006 via cif-deposit CGI script. |
7714004.cif |
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