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Information card for entry 4507661
Preview
| Coordinates | 4507661.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C50 H52 Ag2 N6 O8 S2 |
|---|---|
| Calculated formula | C50 H52 Ag2 N6 O8 S2 |
| SMILES | c1c2ccc[n]1[Ag](OS(=O)(=O)c1ccc(cc1)C)([OH2])[N]#CC(=C1C=C(/C=C/c3c[n](ccc3)[Ag]([N]#CC(=C3C=C(/C=C/2)CC(C)(C)C3)C#N)(OS(=O)(=O)c2ccc(cc2)C)[OH2])CC(C)(C)C1)C#N |
| Title of publication | Diverse Structural Ag(I) Supramolecular Complexes Constructed from Multidentate Dicyanoisophorone-Based Ligands: Structures and Enhanced Luminescence |
| Authors of publication | Jin, Feng; Zhang, Ying; Wang, Hui-Zhen; Zhu, Hui-Zhi; Yan, Yan; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2013 |
| Journal volume | 13 |
| Journal issue | 5 |
| Pages of publication | 1978 |
| a | 9.106 ± 0.005 Å |
| b | 9.342 ± 0.005 Å |
| c | 16.542 ± 0.005 Å |
| α | 81.937 ± 0.005° |
| β | 89.035 ± 0.005° |
| γ | 63.45 ± 0.005° |
| Cell volume | 1244.7 ± 1 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0555 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.1347 |
| Weighted residual factors for all reflections included in the refinement | 0.1502 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4507661.cif |
| 179612 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/76. |
4507661.cif |
| 85606 | 2013-05-07 | cif/ Adding structures of 4507661 via cif-deposit CGI script. |
4507661.cif |
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Users of the data should acknowledge the original authors of the
structural data.