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Information card for entry 4003947
Preview
| Coordinates | 4003947.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H28 I4 N2 O4 Pb |
|---|---|
| Calculated formula | C14 H28 I4 N2 O4 Pb |
| 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 | 35.928 ± 0.0017 Å |
| b | 9.1976 ± 0.0004 Å |
| c | 8.6505 ± 0.0004 Å |
| α | 90° |
| β | 102.027 ± 0.004° |
| γ | 90° |
| Cell volume | 2795.8 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0426 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.101 |
| Weighted residual factors for all reflections included in the refinement | 0.1034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265319 (current) | 2021-05-19 | cif/ Adding structures of 4003947 via cif-deposit CGI script. |
4003947.cif |
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