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Information card for entry 1562562
Preview
| Coordinates | 1562562.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H14 Cl6 Cu0.78 In0.22 N2 |
|---|---|
| Calculated formula | C12 H14 Cl6 Cu0.781 In0.219 N2 |
| Title of publication | Alloying a Single and a Double Perovskite: A Cu+/2+ Mixed-Valence Layered Halide Perovskite with Strong Optical Absorption |
| Authors of publication | Connor, Bridget; Smaha, Rebecca; Li, Jiayi; Gold-Parker, Aryeh; Heyer, Alexander; Toney, Michael F.; Lee, Young; Karunadasa, Hemamala I. |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 7.4183 ± 0.0004 Å |
| b | 32.1336 ± 0.0018 Å |
| c | 7.259 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1730.38 ± 0.16 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.0908 |
| Residual factor for significantly intense reflections | 0.0777 |
| Weighted residual factors for significantly intense reflections | 0.1388 |
| Weighted residual factors for all reflections included in the refinement | 0.1434 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.215 |
| 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 |
|---|---|---|---|
| 265230 (current) | 2021-05-15 | cif/ Adding structures of 1562560, 1562561, 1562562, 1562563 via cif-deposit CGI script. |
1562562.cif |
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