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Information card for entry 1559898
Preview
| Coordinates | 1559898.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | N2,N2'-(1,2-phenylene)bis[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] dimethyl sulfoxide solvate hydrate |
|---|---|
| Formula | C40 H70 N44 O11 S2 |
| Calculated formula | C40 H70 N44 O11 S2 |
| Title of publication | Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams |
| Authors of publication | Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D. |
| Journal of publication | Chemistry-A European Journal |
| Year of publication | 2020 |
| Journal volume | 26 |
| Journal issue | 31 |
| Pages of publication | 7026 - 7040 |
| a | 25.072 ± 0.004 Å |
| b | 13.115 ± 0.002 Å |
| c | 20.79 ± 0.003 Å |
| α | 90° |
| β | 112.824 ± 0.006° |
| γ | 90° |
| Cell volume | 6300.9 ± 1.7 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0645 |
| Residual factor for significantly intense reflections | 0.0637 |
| Weighted residual factors for significantly intense reflections | 0.1772 |
| Weighted residual factors for all reflections included in the refinement | 0.1779 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260351 (current) | 2021-01-02 | cif/ Adding structures of 1559898 via cif-deposit CGI script. |
1559898.cif |
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Users of the data should acknowledge the original authors of the
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