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Information card for entry 2312379
Preview
| Coordinates | 2312379.cif |
|---|---|
| Structure factors | 2312379.hkl |
| Original paper (by DOI) | HTML |
| Formula | C20 H17 N O6 |
|---|---|
| Calculated formula | C20 H17 N O6 |
| Title of publication | 1D and 2D coordination polymers with a new rigid chelating linker: diacetylenedisalicylic acid. |
| Authors of publication | Naifert, Sergei A.; Osipov, Artem A.; Efremov, Andrey N.; Rajakumar, Kanthapazham; Uchaev, Daniil A.; Zherebtsov, Dmitry A.; Belov, Kirill N. |
| Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 1 |
| a | 11.5705 ± 0.0002 Å |
| b | 12.5736 ± 0.0002 Å |
| c | 13.5708 ± 0.0002 Å |
| α | 90° |
| β | 91.271 ± 0.001° |
| γ | 90° |
| Cell volume | 1973.83 ± 0.05 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 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 | 0.0478 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.1248 |
| Weighted residual factors for all reflections included in the refinement | 0.1279 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289051 (current) | 2024-01-12 | cif/ hkl/ Adding structures of 2312378, 2312379, 2312380 via cif-deposit CGI script. |
2312379.cif 2312379.hkl |
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