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Information card for entry 7224337
Preview
| Coordinates | 7224337.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H14 N O4 S6 |
|---|---|
| Calculated formula | C16 H14 N O4 S6 |
| Title of publication | Effect of conjugated structures of bipyridinium cations on ion assembly and charge-transfer of their tetrathiafulvalene-bicarboxylate salts |
| Authors of publication | Huo, Peng; Li, Yan-Hong; Xue, Li-Jun; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 11 |
| Pages of publication | 1904 |
| a | 8.837 ± 0.003 Å |
| b | 9.956 ± 0.002 Å |
| c | 12.431 ± 0.004 Å |
| α | 67.08 ± 0.02° |
| β | 85.63 ± 0.03° |
| γ | 73.08 ± 0.02° |
| Cell volume | 962.9 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0577 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.1033 |
| Weighted residual factors for all reflections included in the refinement | 0.1277 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7224337.cif |
| 181608 | 2016-04-05 | cif/ Updating files of 7224337, 7224338, 7224339 Original log message: Adding full bibliography for 7224337--7224339.cif. |
7224337.cif |
| 176778 | 2016-02-20 | cif/ Adding structures of 7224337, 7224338, 7224339 via cif-deposit CGI script. |
7224337.cif |
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Users of the data should acknowledge the original authors of the
structural data.