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Information card for entry 7701081
Preview
| Coordinates | 7701081.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Gd3 |
|---|---|
| Formula | C66 H45 Gd N9 O6 P3 |
| Calculated formula | C66 H45 Gd N9 O6 P3 |
| Title of publication | Highly efficient room-temperature phosphorescence achieved by gadolinium complexes. |
| Authors of publication | Sun, Boxun; Wei, Chen; Wei, Huibo; Cai, Zelun; Liu, Huanyu; Zang, Zhiyu; Yan, Wenchao; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 40 |
| Pages of publication | 14958 - 14961 |
| a | 23.9284 ± 0.0001 Å |
| b | 23.9284 ± 0.0001 Å |
| c | 23.9284 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 13700.6 ± 0.1 Å3 |
| Cell temperature | 180.01 ± 0.1 K |
| Ambient diffraction temperature | 180.01 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 205 |
| Hermann-Mauguin space group symbol | P a -3 |
| Hall space group symbol | -P 2ac 2ab 3 |
| Residual factor for all reflections | 0.0774 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.1086 |
| Weighted residual factors for all reflections included in the refinement | 0.1411 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7701081.cif |
| 224238 | 2019-11-08 | cif/ Updating files of 7701081 Original log message: Adding full bibliography for 7701081.cif. |
7701081.cif |
| 218108 | 2019-09-10 | cif/ Adding structures of 7701081 via cif-deposit CGI script. |
7701081.cif |
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Users of the data should acknowledge the original authors of the
structural data.