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Information card for entry 7022138
Preview
| Coordinates | 7022138.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H11 N3 O5 |
|---|---|
| Calculated formula | C17 H11 N3 O5 |
| SMILES | n1c(/C=C/c2c(N(=O)=O)cc(N(=O)=O)cc2)ccc2c1c(O)ccc2 |
| Title of publication | Controllable supramolecular structures and luminescent properties of unique trimeric Zn(II) 8-hydroxyquinolinates tuned by functional substituents. |
| Authors of publication | Yuan, Guozan; Huo, Yanping; Nie, Xiaoli; Jiang, Hong; Liu, Bin; Fang, Xiaoming; Zhao, Fenghua |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 8 |
| Pages of publication | 2921 - 2929 |
| a | 22.142 ± 0.0015 Å |
| b | 8.6629 ± 0.0006 Å |
| c | 15.6854 ± 0.0009 Å |
| α | 90° |
| β | 91.506 ± 0.004° |
| γ | 90° |
| Cell volume | 3007.6 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0536 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.1175 |
| Weighted residual factors for all reflections included in the refinement | 0.1217 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7022138.cif |
| 179926 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/21. |
7022138.cif |
| 89988 | 2013-11-17 | cif/ Adding structures of 7022136, 7022137, 7022138 via cif-deposit CGI script. |
7022138.cif |
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Users of the data should acknowledge the original authors of the
structural data.