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Information card for entry 4516368
Preview
| Coordinates | 4516368.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H32 N8 Ni O8 S2 |
|---|---|
| Calculated formula | C40 H32 N8 Ni O8 S2 |
| SMILES | [OH2][Ni]([n]1ccc(c2ccc(c3ccncc3)c3nsnc23)cc1)([n]1ccc(c2ccc(c3ccncc3)c3nsnc23)cc1)([OH2])([OH2])[OH2].[O-]C(=O)c1ccc(cc1)C(=O)[O-] |
| Title of publication | Syntheses, Characterization, and Luminescence Properties of Four Metal–Organic Frameworks Based on a Linear-Shaped Rigid Pyridine Ligand |
| Authors of publication | Ju, Zemin; Yan, Wei; Gao, Xiangjing; Shi, Zhenzhen; Wang, Ting; Zheng, Hegen |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2016 |
| Journal volume | 16 |
| Journal issue | 5 |
| Pages of publication | 2496 |
| a | 10.314 ± 0.004 Å |
| b | 7.447 ± 0.003 Å |
| c | 24.04 ± 0.009 Å |
| α | 90° |
| β | 95.034 ± 0.005° |
| γ | 90° |
| Cell volume | 1839.4 ± 1.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0567 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for significantly intense reflections | 0.1057 |
| Weighted residual factors for all reflections included in the refinement | 0.114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4516368.cif |
| 231270 | 2019-11-22 | cif/ Adding structures of 4516365, 4516366, 4516367, 4516368 via cif-deposit CGI script. |
4516368.cif |
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Users of the data should acknowledge the original authors of the
structural data.