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Information card for entry 1561197
Preview
| Coordinates | 1561197.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C5 H5 N3 O2 |
|---|---|
| Calculated formula | C5 H5 N3 O2 |
| SMILES | n1c(ncc(C(=O)O)c1)N |
| Title of publication | Zinc-coordinated MOFs complexes regulated by hydrogen bonds: Synthesis, structure and luminescence study toward broadband white-light emission |
| Authors of publication | Duan, Hui; Dan, Wenyan; Fang, Xiangdong |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2018 |
| Journal volume | 260 |
| Pages of publication | 159 - 164 |
| a | 3.6563 ± 0.0003 Å |
| b | 11.7958 ± 0.001 Å |
| c | 13.1011 ± 0.0011 Å |
| α | 90° |
| β | 94.623 ± 0.005° |
| γ | 90° |
| Cell volume | 563.2 ± 0.08 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0705 |
| Residual factor for significantly intense reflections | 0.0609 |
| Weighted residual factors for significantly intense reflections | 0.1644 |
| Weighted residual factors for all reflections included in the refinement | 0.1761 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301787 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure. |
1561197.cif |
| 263242 | 2021-03-23 | cif/ Adding structures of 1561197 via cif-deposit CGI script. |
1561197.cif |
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Users of the data should acknowledge the original authors of the
structural data.