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Information card for entry 7121832
Preview
| Coordinates | 7121832.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H40 Mn N2 O14 S12 |
|---|---|
| Calculated formula | C34 H40 Mn N2 O14 S12 |
| Title of publication | C-C to C[double bond, length as m-dash]C conversion within a supramolecular framework of tetrathiafulvalene: a confinement effect and an oxygen related dehydrogenation. |
| Authors of publication | Zhang, Ping; Huo, Peng; Zhang, Xuan; Zhu, Qin-Yu; Dai, Jie |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 53 |
| Pages of publication | 7334 - 7337 |
| a | 13.957 ± 0.003 Å |
| b | 10.7952 ± 0.0019 Å |
| c | 15.701 ± 0.003 Å |
| α | 90° |
| β | 94.815 ± 0.004° |
| γ | 90° |
| Cell volume | 2357.3 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0809 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.1173 |
| Weighted residual factors for all reflections included in the refinement | 0.1348 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.93 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121832.cif |
| 228091 | 2019-11-17 | cif/ Updating files of 7121829, 7121830, 7121831, 7121832, 7121833, 7121834 Original log message: Adding full bibliography for 7121829--7121834.cif. |
7121832.cif |
| 208317 | 2018-06-13 | cif/ Adding structures of 7121829, 7121830, 7121831, 7121832, 7121833, 7121834 via cif-deposit CGI script. |
7121832.cif |
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Users of the data should acknowledge the original authors of the
structural data.