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Information card for entry 1577386
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| Coordinates | 1577386.cif |
|---|---|
| Structure factors | 1577386.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 2,6-diamino-4-(4-carboxypyridin-1-ium-2-yl)-1,3,5-triazin-1-ium dinitrate |
|---|---|
| Formula | C9 H10 N8 O8 |
| Calculated formula | C9 H10 N8 O8 |
| 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 | 8.1019 ± 0.0006 Å |
| b | 9.483 ± 0.0006 Å |
| c | 10.3133 ± 0.0006 Å |
| α | 65.665 ± 0.006° |
| β | 69.956 ± 0.006° |
| γ | 80.086 ± 0.006° |
| Cell volume | 677.8 ± 0.09 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0496 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.1046 |
| Weighted residual factors for all reflections included in the refinement | 0.1095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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