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Information card for entry 1552168
Preview
| Coordinates | 1552168.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28.5 H20 La N O7.5 S3 |
|---|---|
| Calculated formula | C28.5 H20 La N O7.5 S3 |
| Title of publication | Diverse π‒π stacking motifs modulate electrical conductivity in tetrathiafulvalene-based metal‒organic frameworks |
| Authors of publication | Xie, Lilia S.; Alexandrov, Eugeny V.; Skorupskii, Grigorii; Proserpio, Davide M.; Dincă, Mircea |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 11.099 ± 0.007 Å |
| b | 14.956 ± 0.01 Å |
| c | 19.81 ± 0.008 Å |
| α | 85.806 ± 0.015° |
| β | 88.145 ± 0.016° |
| γ | 86.963 ± 0.013° |
| Cell volume | 3274 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1322 |
| Residual factor for significantly intense reflections | 0.0673 |
| Weighted residual factors for significantly intense reflections | 0.1551 |
| Weighted residual factors for all reflections included in the refinement | 0.1853 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217458 (current) | 2019-08-08 | cif/ Adding structures of 1552167, 1552168, 1552169 via cif-deposit CGI script. |
1552168.cif |
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Users of the data should acknowledge the original authors of the
structural data.