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Information card for entry 7712577
Preview
| Coordinates | 7712577.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H44 Br4 N2 Zn |
|---|---|
| Calculated formula | C20 H44 Br4 N2 Zn |
| SMILES | Br[Zn](Br)([Br-])[Br-].[N+]1(CCCC)(C)CCCCC1.[N+]1(CCCC)(C)CCCCC1 |
| Title of publication | Luminescent Hybrid Halides with Various Centering Metal Cations (Zn, Cd and Pb) and Diverse Structures |
| Authors of publication | Fan, Liubing; Hao, Shiqiang; He, Shihui; Zhang, Xusheng; Li, Mingyang; Wolverton, Chris M.; Zhao, Jing; Liu, Quanlin |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 16.333 Å |
| b | 10.519 Å |
| c | 16.915 Å |
| α | 90° |
| β | 111.1° |
| γ | 90° |
| Cell volume | 2711.27 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0281 |
| Residual factor for significantly intense reflections | 0.0217 |
| Weighted residual factors for significantly intense reflections | 0.0502 |
| Weighted residual factors for all reflections included in the refinement | 0.0527 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281789 (current) | 2023-03-10 | cif/ Adding structures of 7712577, 7712578, 7712579 via cif-deposit CGI script. |
7712577.cif |
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Users of the data should acknowledge the original authors of the
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