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Information card for entry 1577385
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| Coordinates | 1577385.cif |
|---|---|
| Structure factors | 1577385.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 2,6-diamino-4-(5-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 | 20.1086 ± 0.0011 Å |
| b | 10.2969 ± 0.0007 Å |
| c | 6.4819 ± 0.0005 Å |
| α | 90° |
| β | 91.571 ± 0.006° |
| γ | 90° |
| Cell volume | 1341.61 ± 0.16 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0492 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.1163 |
| Weighted residual factors for all reflections included in the refinement | 0.12 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306527 (current) | 2026-06-09 | cif/ hkl/ Adding structures of 1577385 via cif-deposit CGI script. |
1577385.cif 1577385.hkl |
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