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Information card for entry 7048520
Preview
| Coordinates | 7048520.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C96 H81 Au3 N6 |
|---|---|
| Calculated formula | C96 H81 Au3 N6 |
| Title of publication | Luminescent cyclic trinuclear coinage metal complexes with aggregation-induced emission (AIE) performance. |
| Authors of publication | Tian, Yuan; Wang, Zhao-Yang; Zang, Shuang-Quan; Li, Dan; Mak, Thomas C. W. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 7 |
| Pages of publication | 2275 - 2279 |
| a | 9.1649 ± 0.0005 Å |
| b | 17.6824 ± 0.0005 Å |
| c | 29.9758 ± 0.0005 Å |
| α | 72.855 ± 0.002° |
| β | 87.796 ± 0.003° |
| γ | 76.607 ± 0.004° |
| Cell volume | 4513.4 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0945 |
| Residual factor for significantly intense reflections | 0.0753 |
| Weighted residual factors for significantly intense reflections | 0.1986 |
| Weighted residual factors for all reflections included in the refinement | 0.2188 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.959 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7048520.cif |
| 224310 | 2019-11-08 | cif/ Updating files of 7048520, 7048521, 7048522 Original log message: Adding full bibliography for 7048520--7048522.cif. |
7048520.cif |
| 212957 | 2019-01-11 | cif/ Adding structures of 7048520, 7048521, 7048522 via cif-deposit CGI script. |
7048520.cif |
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Users of the data should acknowledge the original authors of the
structural data.