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Information card for entry 7127161
Preview
| Coordinates | 7127161.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2-PIT |
|---|---|
| Chemical name | 2 pyrene imine thiol |
| Formula | C23 H13 N S |
| Calculated formula | C23 H13 N S |
| SMILES | c12ccccc1nc(c1ccc3ccc4cccc5c4c3c1cc5)s2 |
| Title of publication | Dual emitting Ag<sub>35</sub> nanocluster protected by 2-pyrene imine thiol. |
| Authors of publication | Jana, Arijit; Chakraborty, Papri; Dar, Wakeel Ahmed; Chandra, Sourov; Khatun, Esma; Kannan, M. P.; Ras, Robin H. A.; Pradeep, Thalappil |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 83 |
| Pages of publication | 12550 - 12553 |
| a | 21.4278 ± 0.0011 Å |
| b | 4.9469 ± 0.0002 Å |
| c | 15.5164 ± 0.0008 Å |
| α | 90° |
| β | 107.158 ± 0.002° |
| γ | 90° |
| Cell volume | 1571.56 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0888 |
| Residual factor for significantly intense reflections | 0.0679 |
| Weighted residual factors for significantly intense reflections | 0.1488 |
| Weighted residual factors for all reflections included in the refinement | 0.16 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.15 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260616 (current) | 2021-01-07 | cif/ Updating files of 7127161 Original log message: Adding full bibliography for 7127161.cif. |
7127161.cif |
| 255808 | 2020-09-03 | cif/ Adding structures of 7127161 via cif-deposit CGI script. |
7127161.cif |
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Users of the data should acknowledge the original authors of the
structural data.