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Information card for entry 4003946
Preview
| Coordinates | 4003946.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H56 I10 N4 O8 Pb3 |
|---|---|
| Calculated formula | C28 H56 I10 N4 O8 Pb3 |
| Title of publication | Revealing the Role of Bifunctional Molecules in Crystallizing Methylammonium Lead Iodide through Geometric Isomers |
| Authors of publication | Zhang, Wenhao; Zhang, Weihua; Wang, Kai; Chu, Yanmeng; Du, Jiankang; Mei, Anyi; Rong, Yaoguang; Hu, Yue; Han, Hongwei |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2021 |
| a | 8.9649 ± 0.0001 Å |
| b | 23.2894 ± 0.0001 Å |
| c | 14.0591 ± 0.0001 Å |
| α | 90° |
| β | 107.609 ± 0.001° |
| γ | 90° |
| Cell volume | 2797.82 ± 0.04 Å3 |
| Cell temperature | 295.53 ± 0.11 K |
| Ambient diffraction temperature | 295.53 ± 0.11 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0303 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.0732 |
| Weighted residual factors for all reflections included in the refinement | 0.0739 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265318 (current) | 2021-05-19 | cif/ Adding structures of 4003946 via cif-deposit CGI script. |
4003946.cif |
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Users of the data should acknowledge the original authors of the
structural data.