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Information card for entry 1568601
Preview
| Coordinates | 1568601.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H40 Mn3 N4 O12 S6 |
|---|---|
| Calculated formula | C62 H40 Mn3 N4 O12 S6 |
| Title of publication | A Series of Metal–Organic Frameworks with 2,2′-Bipyridyl Derivatives: Synthesis vs. Structure Relationships, Adsorption, and Magnetic Studies |
| Authors of publication | Dubskikh, Vadim A.; Kolosov, Aleksei A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P. |
| Journal of publication | Molecules |
| Year of publication | 2023 |
| Journal volume | 28 |
| Journal issue | 5 |
| Pages of publication | 2139 |
| a | 10.88 ± 0.005 Å |
| b | 25.477 ± 0.001 Å |
| c | 12.919 ± 0.004 Å |
| α | 90° |
| β | 109.29 ± 0.02° |
| γ | 90° |
| Cell volume | 3380 ± 1.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0606 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.1459 |
| Weighted residual factors for all reflections included in the refinement | 0.153 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.745 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281638 (current) | 2023-03-06 | cif/ Adding structures of 1568601 via cif-deposit CGI script. |
1568601.cif |
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Users of the data should acknowledge the original authors of the
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