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Information card for entry 1564699
Preview
| Coordinates | 1564699.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H4 Cs4 O10 S4 |
|---|---|
| Calculated formula | C10 Cs4 O10 S4 |
| Title of publication | Effects of intervalence charge transfer interaction between π-stacked mixed valent tetrathiafulvalene ligands on the electrical conductivity of 3D metal‒organic frameworks |
| Authors of publication | Zhang, Shiyu; Panda, Dillip K.; Yadav, Ashok; Zhou, Wei; Saha, Sourav |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 7.3641 ± 0.0005 Å |
| b | 12.7617 ± 0.0008 Å |
| c | 22.6074 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2124.6 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.068 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.0895 |
| Weighted residual factors for all reflections included in the refinement | 0.105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269221 (current) | 2021-09-21 | cif/ Adding structures of 1564698, 1564699, 1564700, 1564701 via cif-deposit CGI script. |
1564699.cif |
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Users of the data should acknowledge the original authors of the
structural data.