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Information card for entry 7208244
Preview
| Coordinates | 7208244.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C6 H8 Li N O8 S2 |
|---|---|
| Calculated formula | C6 H8 Li N O8 S2 |
| SMILES | c1(c(cc(c(c1)S(=O)(=O)[O-])O)O)S(=O)(=O)[O-].[Li+].[NH4+] |
| Title of publication | Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes |
| Authors of publication | Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 16 |
| Pages of publication | 5274 |
| a | 18.13 ± 0.004 Å |
| b | 9.0962 ± 0.0018 Å |
| c | 13.786 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2273.5 ± 0.8 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 64 |
| Hermann-Mauguin space group symbol | C m c a |
| Hall space group symbol | -C 2ac 2 |
| Residual factor for all reflections | 0.0324 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for significantly intense reflections | 0.0911 |
| Weighted residual factors for all reflections included in the refinement | 0.0922 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7208244.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7208244.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7208244.cif |
| 64233 | 2012-08-11 | cif/ Adding structures of 7208241, 7208242, 7208243, 7208244, 7208245, 7208246 via cif-deposit CGI script. |
7208244.cif |
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Users of the data should acknowledge the original authors of the
structural data.