Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7236567
Preview
Coordinates | 7236567.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H25 N5 |
---|---|
Calculated formula | C34 H25 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 | 9.0354 ± 0.0004 Å |
b | 11.8886 ± 0.0005 Å |
c | 13.4146 ± 0.0006 Å |
α | 102.045 ± 0.003° |
β | 108.397 ± 0.003° |
γ | 99.521 ± 0.003° |
Cell volume | 1295.03 ± 0.11 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0922 |
Residual factor for significantly intense reflections | 0.0427 |
Weighted residual factors for significantly intense reflections | 0.0806 |
Weighted residual factors for all reflections included in the refinement | 0.0937 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.923 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7236567.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.