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Information card for entry 4002824
Preview
| Coordinates | 4002824.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Bi2I7Cl2 |
|---|---|
| Formula | C12 H30 Bi2 Cl2 I7 N3 O0 |
| Calculated formula | C12 H30 Bi2 Cl2 I7 N3 |
| Title of publication | Structure Tunable Organic‒Inorganic Bismuth Halides for an Enhanced Two-Dimensional Lead-Free Light-Harvesting Material |
| Authors of publication | Li, Mu-Qing; Hu, Yue-Qiao; Bi, Le-Yu; Zhang, Hao-Lan; Wang, Yanyan; Zheng, Yan-Zhen |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2017 |
| Journal volume | 29 |
| Journal issue | 13 |
| Pages of publication | 5463 |
| a | 18.086 ± 0.006 Å |
| b | 9.287 ± 0.003 Å |
| c | 20.238 ± 0.007 Å |
| α | 90° |
| β | 112.631 ± 0.004° |
| γ | 90° |
| Cell volume | 3137.5 ± 1.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0447 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.1244 |
| Weighted residual factors for all reflections included in the refinement | 0.1267 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200653 (current) | 2017-09-12 | cif/ Updating files of 4002821, 4002822, 4002823, 4002824 Original log message: Adding full bibliography for 4002821--4002824.cif. |
4002824.cif |
| 198204 | 2017-06-29 | cif/ Adding structures of 4002821, 4002822, 4002823, 4002824 via cif-deposit CGI script. |
4002824.cif |
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Users of the data should acknowledge the original authors of the
structural data.