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Information card for entry 7247635
Preview
| Coordinates | 7247635.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2,5-di(pyridin-4-yl)thiazolo[5,4-d]thiazole |
|---|---|
| Formula | C14 H8 N4 S2 |
| Calculated formula | C14 H8 N4 S2 |
| Title of publication | The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole |
| Authors of publication | Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M. |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 46 |
| Pages of publication | 6434 - 6440 |
| a | 15.6685 ± 0.0007 Å |
| b | 3.7842 ± 0.0001 Å |
| c | 10.8705 ± 0.0005 Å |
| α | 90° |
| β | 108.658 ± 0.005° |
| γ | 90° |
| Cell volume | 610.67 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 4 |
| 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 | 0.0353 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.0947 |
| Weighted residual factors for all reflections included in the refinement | 0.0952 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288781 (current) | 2024-01-06 | cif/ Updating files of 7247635, 7247636, 7247637, 7247638, 7247639 Original log message: Adding full bibliography for 7247635--7247639.cif. |
7247635.cif |
| 287229 | 2023-11-02 | cif/ Adding structures of 7247635, 7247636, 7247637, 7247638, 7247639 via cif-deposit CGI script. |
7247635.cif |
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Users of the data should acknowledge the original authors of the
structural data.