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Information card for entry 4510462
Preview
| Coordinates | 4510462.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C86 H76 N4 O6 S2 |
|---|---|
| Calculated formula | C86 H76 N4 O6 S2 |
| Title of publication | Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine |
| Authors of publication | Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 5 |
| Pages of publication | 2381 |
| a | 11.5015 ± 0.0007 Å |
| b | 16.4403 ± 0.0007 Å |
| c | 19.6538 ± 0.0009 Å |
| α | 96.2 ± 0.004° |
| β | 91.847 ± 0.004° |
| γ | 109.329 ± 0.005° |
| Cell volume | 3477.1 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 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 all reflections | 0.0971 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.1377 |
| Weighted residual factors for all reflections included in the refinement | 0.159 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| 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. |
4510462.cif |
| 179651 | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/04. |
4510462.cif |
| 115648 | 2014-06-05 | cif/ Updating files of 4510452, 4510453, 4510454, 4510455, 4510456, 4510457, 4510458, 4510459, 4510460, 4510461, 4510462 Original log message: Adding full bibliography for 4510452--4510462.cif. |
4510462.cif |
| 109958 | 2014-04-18 | cif/ Adding structures of 4510452, 4510453, 4510454, 4510455, 4510456, 4510457, 4510458, 4510459, 4510460, 4510461, 4510462 via cif-deposit CGI script. |
4510462.cif |
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Users of the data should acknowledge the original authors of the
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