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Information card for entry 2312380
Preview
| Coordinates | 2312380.cif |
|---|---|
| Structure factors | 2312380.hkl |
| Original paper (by DOI) | HTML |
| Formula | C51 H53 N5 Na2 O17 |
|---|---|
| Calculated formula | C51 H53 N5 Na2 O17 |
| 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 | 9.0522 ± 0.0004 Å |
| b | 10.7406 ± 0.0004 Å |
| c | 15.0867 ± 0.0005 Å |
| α | 71.631 ± 0.003° |
| β | 76.965 ± 0.004° |
| γ | 68.737 ± 0.004° |
| Cell volume | 1287.01 ± 0.09 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0695 |
| Residual factor for significantly intense reflections | 0.064 |
| Weighted residual factors for significantly intense reflections | 0.1964 |
| Weighted residual factors for all reflections included in the refinement | 0.2022 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| 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. |
2312380.cif 2312380.hkl |
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Users of the data should acknowledge the original authors of the
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