Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7233949
Preview
| Coordinates | 7233949.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H30 S8 |
|---|---|
| Calculated formula | C34 H30 S8 |
| Title of publication | Mixed valence radical cations and intermolecular complexes derived from indenofluorene-extended tetrathiafulvalenes |
| Authors of publication | Mikkel A. Christensen; Christian R. Parker; Thomas Just Sorensen; Sebastian de Graaf; Thorbjorn J. Morsing; Theis Brock-Nannestad; Jesper Bendix; Michael M. Haley; Peter Rapta; Andrey Danilov; Sergey Kubatkin; Ole Hammerich; Mogens Brondsted Nielsen |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2014 |
| Journal volume | 2 |
| Pages of publication | 10428 - 10438 |
| a | 24.306 ± 0.003 Å |
| b | 24.77 ± 0.003 Å |
| c | 6.7903 ± 0.0006 Å |
| α | 90° |
| β | 104.828 ± 0.006° |
| γ | 90° |
| Cell volume | 3952 ± 0.8 Å3 |
| Cell temperature | 122 ± 2 K |
| Ambient diffraction temperature | 122 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1286 |
| Residual factor for significantly intense reflections | 0.0793 |
| Weighted residual factors for significantly intense reflections | 0.2443 |
| Weighted residual factors for all reflections included in the refinement | 0.286 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0265 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7233949.cif |
| 218532 | 2019-09-19 | cif/ Adding structures of 7233949 via cif-deposit CGI script. |
7233949.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.