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Information card for entry 4516751
Preview
| Coordinates | 4516751.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C H6 Br3 N Pb |
|---|---|
| Calculated formula | C0.9998 Br3 N0.9998 Pb |
| Title of publication | High-Pressure Single-Crystal Structures of 3D Lead-Halide Hybrid Perovskites and Pressure Effects on their Electronic and Optical Properties. |
| Authors of publication | Jaffe, Adam; Lin, Yu; Beavers, Christine M.; Voss, Johannes; Mao, Wendy L.; Karunadasa, Hemamala I. |
| Journal of publication | ACS central science |
| Year of publication | 2016 |
| Journal volume | 2 |
| Journal issue | 4 |
| Pages of publication | 201 - 209 |
| a | 5.9328 ± 0.0014 Å |
| b | 5.9328 ± 0.0014 Å |
| c | 5.9328 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 208.82 ± 0.09 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 221 |
| Hermann-Mauguin space group symbol | P m -3 m |
| Hall space group symbol | -P 4 2 3 |
| Residual factor for all reflections | 0.0153 |
| Residual factor for significantly intense reflections | 0.0153 |
| Weighted residual factors for significantly intense reflections | 0.0408 |
| Weighted residual factors for all reflections included in the refinement | 0.0408 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.274 |
| Diffraction radiation wavelength | 0.7293 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239510 (current) | 2019-11-24 | cif/ Adding structures of 4516751 via cif-deposit CGI script. |
4516751.cif |
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Users of the data should acknowledge the original authors of the
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