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Information card for entry 1559897
Preview
| Coordinates | 1559897.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | N2-(4,6-diamino-1,3,5-triazin-2-yl) -N2-phenyl-1,3,5-triazine-2,4,6-triamine dimethyl sulfoxide solvate |
|---|---|
| Formula | C18 H31 N11 O3 S3 |
| Calculated formula | C18 H31 N11 O3 S3 |
| 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 | 10.9174 ± 0.0004 Å |
| b | 18.9758 ± 0.0008 Å |
| c | 13.2699 ± 0.0005 Å |
| α | 90° |
| β | 93.486 ± 0.002° |
| γ | 90° |
| Cell volume | 2743.99 ± 0.18 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 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 | 0.0598 |
| Residual factor for significantly intense reflections | 0.0573 |
| Weighted residual factors for significantly intense reflections | 0.1544 |
| Weighted residual factors for all reflections included in the refinement | 0.1573 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| 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 |
|---|---|---|---|
| 260350 (current) | 2021-01-02 | cif/ Adding structures of 1559897 via cif-deposit CGI script. |
1559897.cif |
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Users of the data should acknowledge the original authors of the
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