Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7242690
Preview
| Coordinates | 7242690.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H20 N4 S2 |
|---|---|
| Calculated formula | C30 H20 N4 S2 |
| Title of publication | A new donor for charge-transfer systems: synthesis and properties of 2,4,7,9-tetramethyl-1,6-dithiapyrene (TMDTP) and structure of (TMDTP)3(PF6)2·2THF and TMDTP‒TCNQ |
| Authors of publication | Bendix, Jesper; Bechgaard, Klaus; Christensen, Jørn Bolstad |
| Journal of publication | RSC Advances |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 24 |
| Pages of publication | 14607 - 14614 |
| a | 3.7098 ± 0.0003 Å |
| b | 17.1976 ± 0.0018 Å |
| c | 20.181 ± 0.002 Å |
| α | 82.379 ± 0.004° |
| β | 89.939 ± 0.003° |
| γ | 86.046 ± 0.004° |
| Cell volume | 1273.1 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.108 |
| Residual factor for significantly intense reflections | 0.0961 |
| Weighted residual factors for significantly intense reflections | 0.2371 |
| Weighted residual factors for all reflections included in the refinement | 0.2448 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264351 (current) | 2021-04-21 | cif/ Adding structures of 7242688, 7242689, 7242690 via cif-deposit CGI script. |
7242690.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.