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Information card for entry 7233950
Preview
| Coordinates | 7233950.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 | 5.2379 ± 0.0016 Å |
| b | 15.5022 ± 0.0008 Å |
| c | 19.0966 ± 0.0011 Å |
| α | 90° |
| β | 97.145 ± 0.002° |
| γ | 90° |
| Cell volume | 1538.6 ± 0.5 Å3 |
| Cell temperature | 122 ± 2 K |
| Ambient diffraction temperature | 122 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0462 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0686 |
| Weighted residual factors for all reflections included in the refinement | 0.0743 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0422 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7233950.cif |
| 218533 | 2019-09-19 | cif/ Adding structures of 7233950 via cif-deposit CGI script. |
7233950.cif |
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Users of the data should acknowledge the original authors of the
structural data.