Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1559901
Preview
| Coordinates | 1559901.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | N2,N2'-(1,4-phenylene)bis[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] dimethyl sulfoxide unknown solvate |
|---|---|
| Formula | C24 H38 N22 O3 S3 |
| Calculated formula | C24 H38 N22 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 | 22.6297 ± 0.0005 Å |
| b | 16.5486 ± 0.0004 Å |
| c | 21.7786 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8155.9 ± 0.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0879 |
| Residual factor for significantly intense reflections | 0.0855 |
| Weighted residual factors for significantly intense reflections | 0.2383 |
| Weighted residual factors for all reflections included in the refinement | 0.2397 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| 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 |
|---|---|---|---|
| 260355 (current) | 2021-01-02 | cif/ Adding structures of 1559901 via cif-deposit CGI script. |
1559901.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.