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Information card for entry 7236569
Preview
| Coordinates | 7236569.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H24 B F2 N5 |
|---|---|
| Calculated formula | C34 H24 B F2 N5 |
| Title of publication | Aza-BODIPY dyes with heterocyclic substituents and their derivatives bearing a cyanide co-ligand: NIR donor materials for vacuum-processed solar cells |
| Authors of publication | Li, Tian-yi; Meyer, Toni; Meerheim, Rico; Höppner, Marco; Körner, Christian; Vandewal, Koen; Zeika, Olaf; Leo, Karl |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2017 |
| Journal volume | 5 |
| Journal issue | 21 |
| Pages of publication | 10696 |
| a | 10.9204 ± 0.0011 Å |
| b | 11.8225 ± 0.0012 Å |
| c | 12.8908 ± 0.0013 Å |
| α | 85.313 ± 0.004° |
| β | 73.628 ± 0.003° |
| γ | 65.884 ± 0.003° |
| Cell volume | 1456.4 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1005 |
| Residual factor for significantly intense reflections | 0.0709 |
| Weighted residual factors for significantly intense reflections | 0.1982 |
| Weighted residual factors for all reflections included in the refinement | 0.2122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236312 (current) | 2019-11-24 | cif/ Adding structures of 7236566, 7236567, 7236568, 7236569 via cif-deposit CGI script. |
7236569.cif |
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Users of the data should acknowledge the original authors of the
structural data.