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Information card for entry 4514923
Preview
| Coordinates | 4514923.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H38 I7 N3 Pb2 |
|---|---|
| Calculated formula | C13 H38 I7 N3 Pb2 |
| 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 | 45.146 ± 0.016 Å |
| b | 8.814 ± 0.003 Å |
| c | 8.695 ± 0.003 Å |
| α | 90° |
| β | 100.03 ± 0.005° |
| γ | 90° |
| Cell volume | 3407 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 99.99 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0241 |
| Residual factor for significantly intense reflections | 0.0211 |
| Weighted residual factors for significantly intense reflections | 0.0496 |
| Weighted residual factors for all reflections included in the refinement | 0.0509 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| 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 |
|---|---|---|---|
| 220085 (current) | 2019-10-28 | cif/ Adding structures of 4514923 via cif-deposit CGI script. |
4514923.cif |
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