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Information card for entry 4514922
Preview
| Coordinates | 4514922.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C H6 I3 N3 Pb |
|---|---|
| Calculated formula | C H6 I3 N3 Pb |
| Title of publication | Incorporating Large A Cations into Lead Iodide Perovskite Cages: Relaxed Goldschmidt Tolerance Factor and Impact on Exciton-Phonon Interaction. |
| Authors of publication | Fu, Yongping; Hautzinger, Matthew P.; Luo, Ziyu; Wang, Feifan; Pan, Dongxu; Aristov, Michael M.; Guzei, Ilia A.; Pan, Anlian; Zhu, Xiaoyang; Jin, Song |
| Journal of publication | ACS central science |
| Year of publication | 2019 |
| Journal volume | 5 |
| Journal issue | 8 |
| Pages of publication | 1377 - 1386 |
| a | 4.5694 ± 0.0012 Å |
| b | 11.748 ± 0.003 Å |
| c | 19.504 ± 0.004 Å |
| α | 90° |
| β | 94.147 ± 0.014° |
| γ | 90° |
| Cell volume | 1044.3 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0234 |
| Residual factor for significantly intense reflections | 0.0233 |
| Weighted residual factors for significantly intense reflections | 0.0523 |
| Weighted residual factors for all reflections included in the refinement | 0.0523 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.389 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220084 (current) | 2019-10-28 | cif/ Adding structures of 4514922 via cif-deposit CGI script. |
4514922.cif |
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