Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7049242
Preview
| Coordinates | 7049242.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H21 N |
|---|---|
| Calculated formula | C24 H21 N |
| Title of publication | Conjugated, rigidified bibenzimidazole ancillary ligands for enhanced photoluminescence quantum yields of orange/red-emitting iridium(iii) complexes. |
| Authors of publication | Henwood, Adam F.; Antón-García, Daniel; Morin, Mégane; Rota Martir, Diego; Cordes, David B.; Casey, Colin; Slawin, Alexandra M. Z.; Lebl, Tomas; Bühl, Michael; Zysman-Colman, Eli |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 26 |
| Pages of publication | 9639 - 9653 |
| a | 8.7072 ± 0.0012 Å |
| b | 8.7165 ± 0.0011 Å |
| c | 11.9416 ± 0.0017 Å |
| α | 81.214 ± 0.011° |
| β | 84.274 ± 0.012° |
| γ | 80.451 ± 0.011° |
| Cell volume | 880.7 ± 0.2 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 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 | 0.0608 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.1165 |
| Weighted residual factors for all reflections included in the refinement | 0.1253 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7049242.cif |
| 224070 | 2019-11-07 | cif/ Updating files of 7049242, 7049243, 7049244, 7049245, 7049246, 7049247 Original log message: Adding full bibliography for 7049242--7049247.cif. |
7049242.cif |
| 214034 | 2019-03-07 | cif/ Adding structures of 7049242, 7049243, 7049244, 7049245, 7049246, 7049247 via cif-deposit CGI script. |
7049242.cif |
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.