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Information card for entry 1577387
Preview
| Coordinates | 1577387.cif |
|---|---|
| Structure factors | 1577387.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 2,4-diamino-6-(3,5-dicarboxyphenyl)-1,3,5-triazine-1,3-diium diperchlorate |
|---|---|
| Formula | C11 H11 Cl2 N5 O12 |
| Calculated formula | C11 H11 Cl2 N5 O12 |
| Title of publication | Functional organic ligands tailored by carboxylic acid and diaminotriazinyl for metal-organic framework preparations |
| Authors of publication | Duy Tuan Doan; Thi Linh Giang Hoang; Thi Thom Nguyen; Thierry Maris; Phuong Nguyen-Triv |
| Journal of publication | J Mol. Struct |
| Year of publication | 2026 |
| Journal volume | 1352 |
| Pages of publication | 144349 |
| a | 21.6216 ± 0.0007 Å |
| b | 11.8804 ± 0.0004 Å |
| c | 6.6638 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1711.75 ± 0.1 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 52 |
| Hermann-Mauguin space group symbol | P n n a |
| Hall space group symbol | -P 2a 2bc |
| Residual factor for all reflections | 0.0554 |
| Residual factor for significantly intense reflections | 0.0521 |
| Weighted residual factors for significantly intense reflections | 0.1407 |
| Weighted residual factors for all reflections included in the refinement | 0.1434 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.156 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306529 (current) | 2026-06-09 | cif/ hkl/ Adding structures of 1577387 via cif-deposit CGI script. |
1577387.cif 1577387.hkl |
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Users of the data should acknowledge the original authors of the
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