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Information card for entry 4003362
Preview
| Coordinates | 4003362.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H42 Bi2 I9 N3 |
|---|---|
| Calculated formula | C18 H42 Bi2 I9 N3 |
| Title of publication | Triiodide-Induced Band-Edge Reconstruction of a Lead-Free Perovskite-Derivative Hybrid for Strong Light Absorption |
| Authors of publication | Zhang, Weichuan; Liu, Xitao; Li, Lina; Sun, Zhihua; Han, Shiguo; Wu, Zhenyue; Luo, Junhua |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2018 |
| Journal volume | 30 |
| Journal issue | 12 |
| Pages of publication | 4081 |
| a | 30.1506 ± 0.0006 Å |
| b | 8.6004 ± 0.0002 Å |
| c | 16.1217 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4180.47 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.061 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.1065 |
| Weighted residual factors for all reflections included in the refinement | 0.1177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| 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 |
|---|---|---|---|
| 231536 (current) | 2019-11-22 | cif/ Adding structures of 4003361, 4003362 via cif-deposit CGI script. |
4003362.cif |
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Users of the data should acknowledge the original authors of the
structural data.