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Information card for entry 1562561
Preview
| Coordinates | 1562561.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 Cl8 Cu1.55 In0.45 N4 |
|---|---|
| Calculated formula | C16 Cl8 Cu1.553 In0.447 N4 |
| 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 | 7.4458 ± 0.0006 Å |
| b | 7.6348 ± 0.0006 Å |
| c | 15.5065 ± 0.0015 Å |
| α | 89.97 ± 0.006° |
| β | 76.106 ± 0.006° |
| γ | 89.921 ± 0.005° |
| Cell volume | 855.71 ± 0.13 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1145 |
| Residual factor for significantly intense reflections | 0.0905 |
| Weighted residual factors for significantly intense reflections | 0.2586 |
| Weighted residual factors for all reflections included in the refinement | 0.279 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.7288 Å |
| Diffraction radiation type | synchrotron |
| 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. |
1562561.cif |
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Users of the data should acknowledge the original authors of the
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