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Information card for entry 7023513
Preview
| Coordinates | 7023513.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H28 N2 O6 S2 |
|---|---|
| Calculated formula | C28 H28 N2 O6 S2 |
| SMILES | c1(ccc(c2cccc3cc4c(cccc4cc23)c2ccc([NH3+])cc2)cc1)[NH3+].[O-]S(=O)(=O)C.O=S(=O)([O-])C |
| Title of publication | A facile and versatile approach to efficient enhancement of solid-state luminescence by organic-inorganic hybrid salts. |
| Authors of publication | Tohnai, Norimitsu; Sugino, Misa; Araki, Yusuke; Hatanaka, Keisuke; Hisaki, Ichiro; Miyata, Mikiji |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 45 |
| Pages of publication | 15922 - 15926 |
| a | 5.7607 ± 0.0009 Å |
| b | 8.8385 ± 0.0008 Å |
| c | 13.309 ± 0.002 Å |
| α | 72.933 ± 0.019° |
| β | 84.68 ± 0.03° |
| γ | 83.64 ± 0.03° |
| Cell volume | 642.52 ± 0.17 Å3 |
| Cell temperature | 213 K |
| Ambient diffraction temperature | 213 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0742 |
| Weighted residual factors for all reflections included in the refinement | 0.1732 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| 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. |
7023513.cif |
| 179940 | 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 7/02/35. |
7023513.cif |
| 90555 | 2013-11-18 | cif/ Adding structures of 7023511, 7023512, 7023513, 7023514, 7023515 via cif-deposit CGI script. |
7023513.cif |
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Users of the data should acknowledge the original authors of the
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