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Information card for entry 7242689
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| Coordinates | 7242689.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | tetramethyldithiopyrene |
|---|---|
| Formula | C9 H8 S |
| Calculated formula | C9 H8 S |
| 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 | 3.9618 ± 0.0004 Å |
| b | 9.211 ± 0.0008 Å |
| c | 9.8478 ± 0.0008 Å |
| α | 105.537 ± 0.003° |
| β | 90.439 ± 0.003° |
| γ | 96.653 ± 0.003° |
| Cell volume | 343.62 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0411 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0838 |
| Weighted residual factors for all reflections included in the refinement | 0.0881 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| 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. |
7242689.cif |
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Users of the data should acknowledge the original authors of the
structural data.