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Information card for entry 7715480
Preview
| Coordinates | 7715480.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H44 N6 O5 Zn |
|---|---|
| Calculated formula | C41 H44 N6 O5 Zn |
| SMILES | [Zn]123(Oc4n(nc(c4C(=[O]1)c1ccccc1)C)c1ccccc1)([NH2][C@H]1CCCC[C@@H]1[NH2]2)Oc1n(nc(c1C(=[O]3)c1ccccc1)C)c1ccccc1.OC |
| Title of publication | Circularly polarized blue fluorescence based on chiral heteroleptic six-coordinate <i>bis</i>-pyrazolonate-Zn<sup>2+</sup> complexes. |
| Authors of publication | Liu, Jiaxiang; Zhao, Yuzhen; Zhang, Zhe; Li, Manni; Song, Wenqi; Li, Wentao; Miao, Zongcheng |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 15 |
| Pages of publication | 6625 - 6630 |
| a | 11.4625 ± 0.0006 Å |
| b | 13.1925 ± 0.0007 Å |
| c | 14.4678 ± 0.0007 Å |
| α | 67.905 ± 0.002° |
| β | 83.474 ± 0.002° |
| γ | 70.309 ± 0.002° |
| Cell volume | 1908.38 ± 0.17 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0491 |
| Residual factor for significantly intense reflections | 0.0385 |
| Weighted residual factors for significantly intense reflections | 0.0968 |
| Weighted residual factors for all reflections included in the refinement | 0.1016 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291657 (current) | 2024-05-05 | cif/ Updating files of 7715480 Original log message: Adding full bibliography for 7715480.cif. |
7715480.cif |
| 290587 | 2024-03-22 | cif/ Adding structures of 7715480 via cif-deposit CGI script. |
7715480.cif |
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Users of the data should acknowledge the original authors of the
structural data.