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Information card for entry 1577383
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| Coordinates | 1577383.cif |
|---|---|
| Structure factors | 1577383.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 2,4-diamino-6-(4-carboxyphenyl)-1,3,5-triazin-1-ium perchlorate monohydrate |
|---|---|
| Formula | C10 H12 Cl N5 O7 |
| Calculated formula | C10 H12 Cl N5 O7 |
| 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 | 7.1156 ± 0.0003 Å |
| b | 17.2446 ± 0.0006 Å |
| c | 11.3834 ± 0.0004 Å |
| α | 90° |
| β | 104.235 ± 0.004° |
| γ | 90° |
| Cell volume | 1353.92 ± 0.09 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0454 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.0965 |
| Weighted residual factors for all reflections included in the refinement | 0.101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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