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Information card for entry 1561196
Preview
| Coordinates | 1561196.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H12 N6 O6 Zn |
|---|---|
| Calculated formula | C10 H12 N6 O6 Zn |
| SMILES | [OH2][Zn]12(OC(=[O]1)c1cnc(nc1)N)(OC(=[O]2)c1cnc(nc1)N)[OH2] |
| 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 | 7.8496 ± 0.0005 Å |
| b | 5.3514 ± 0.0003 Å |
| c | 16.5895 ± 0.001 Å |
| α | 90° |
| β | 100.705 ± 0.002° |
| γ | 90° |
| Cell volume | 684.74 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0295 |
| Residual factor for significantly intense reflections | 0.0245 |
| Weighted residual factors for significantly intense reflections | 0.062 |
| Weighted residual factors for all reflections included in the refinement | 0.0641 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1561196.cif |
| 263241 | 2021-03-23 | cif/ Adding structures of 1561196 via cif-deposit CGI script. |
1561196.cif |
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Users of the data should acknowledge the original authors of the
structural data.