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Information card for entry 2312378
Preview
| Coordinates | 2312378.cif |
|---|---|
| Structure factors | 2312378.hkl |
| Original IUCr paper | HTML |
| Formula | C20 H14 O6 |
|---|---|
| Calculated formula | C20 H14 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 | 3.82699 ± 0.00009 Å |
| b | 35.3044 ± 0.0007 Å |
| c | 5.73042 ± 0.00013 Å |
| α | 90° |
| β | 90.336 ± 0.002° |
| γ | 90° |
| Cell volume | 774.22 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0426 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.1163 |
| Weighted residual factors for all reflections included in the refinement | 0.1193 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
2312378.cif 2312378.hkl |
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