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Information card for entry 8000325
Preview
| Coordinates | 8000325.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C H6 I N |
|---|---|
| Calculated formula | C H6 I N |
| Title of publication | Reversing Organic-Inorganic Hybrid Perovskite Degradation in Water via pH and Hydrogen Bonds. |
| Authors of publication | Wang, Ryan Taoran; Xu, Alex Fan; Chen, Jason Yuanzhe; Yang, Lory Wenjuan; Xu, Gu; Jarvis, Victoria; Britten, James F. |
| Journal of publication | The journal of physical chemistry letters |
| Year of publication | 2019 |
| Journal volume | 10 |
| Journal issue | 22 |
| Pages of publication | 7245 - 7250 |
| a | 5.124 ± 0.003 Å |
| b | 5.124 ± 0.003 Å |
| c | 9.039 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 237.3 ± 0.2 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295.15 K |
| Number of distinct elements | 4 |
| Space group number | 129 |
| Hermann-Mauguin space group symbol | P 4/n m m :2 |
| Hall space group symbol | -P 4a 2a |
| Residual factor for all reflections | 0.0399 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0952 |
| Weighted residual factors for all reflections included in the refinement | 0.0976 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.16 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8000325.cif |
| 246581 | 2020-01-04 | cif/ Updating files of 8000325 Original log message: Adding full bibliography for 8000325.cif. |
8000325.cif |
| 227481 | 2019-11-12 | cif/ Adding structures of 8000325 via cif-deposit CGI script. |
8000325.cif |
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Users of the data should acknowledge the original authors of the
structural data.