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Information card for entry 7246226
Preview
| Coordinates | 7246226.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H44 Br2 N4 |
|---|---|
| Calculated formula | C62 H44 Br2 N4 |
| Title of publication | Back to the future: asymmetrical DπA 2,2′-bipyridine ligands for homoleptic copper(i)-based dyes in dye-sensitised solar cells |
| Authors of publication | Risi, Guglielmo; Devereux, Mike; Prescimone, Alessandro; Housecroft, Catherine E.; Constable, Edwin C. |
| Journal of publication | RSC Advances |
| Year of publication | 2023 |
| Journal volume | 13 |
| Journal issue | 7 |
| Pages of publication | 4122 - 4137 |
| a | 6.5334 ± 0.0006 Å |
| b | 25.031 ± 0.002 Å |
| c | 15.1033 ± 0.0013 Å |
| α | 90° |
| β | 102.382 ± 0.003° |
| γ | 90° |
| Cell volume | 2412.5 ± 0.4 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| 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 | 0.0313 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.0751 |
| Weighted residual factors for all reflections included in the refinement | 0.0776 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280720 (current) | 2023-02-01 | cif/ Adding structures of 7246226 via cif-deposit CGI script. |
7246226.cif |
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