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Information card for entry 1575057
Preview
| Coordinates | 1575057.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H14 Cl N4 O3 Re |
|---|---|
| Calculated formula | C18 H14 Cl N4 O3 Re |
| Title of publication | Influence of Ligand Isomerism on the Photophysical Properties of AIPE-Active Rhenium(I) Complexes: Investigations with a 2-(1,2,3-Triazol-1-yl)pyridine (Tapy)-Based Complex and Its Triazolylidene Derivatives |
| Authors of publication | Abdallah, Abanoub Mosaad; Wolff, Mariusz; Leygue, Nadine; Deleuzière, Maëlle; Saffon-Merceron, Nathalie; Serpentini, Charles-Louis; Benoist, Eric; Fery-Forgues, Suzanne |
| Journal of publication | Molecules |
| Year of publication | 2025 |
| Journal volume | 30 |
| Journal issue | 13 |
| Pages of publication | 2776 |
| a | 8.3767 ± 0.0004 Å |
| b | 7.3859 ± 0.0003 Å |
| c | 30.3253 ± 0.0013 Å |
| α | 90° |
| β | 95.9593 ± 0.0017° |
| γ | 90° |
| Cell volume | 1866.07 ± 0.14 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0274 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.0659 |
| Weighted residual factors for all reflections included in the refinement | 0.0663 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301197 (current) | 2025-07-07 | cif/ Adding structures of 1575055, 1575056, 1575057, 1575058 via cif-deposit CGI script. |
1575057.cif |
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Users of the data should acknowledge the original authors of the
structural data.