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Information card for entry 4003233
Preview
| Coordinates | 4003233.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 I5 Pb2 S4 |
|---|---|
| Calculated formula | C6 I5 Pb2 S4 |
| Title of publication | (TTF)Pb2I5: A Radical Cation-Stabilized Hybrid Lead Iodide with Synergistic Optoelectronic Signatures |
| Authors of publication | Evans, Hayden A.; Lehner, Anna J.; Labram, John G.; Fabini, Douglas H.; Barreda, Omar; Smock, Sara R.; Wu, Guang; Chabinyc, Michael L.; Seshadri, Ram; Wudl, Fred |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2016 |
| Journal volume | 28 |
| Journal issue | 11 |
| Pages of publication | 3607 |
| a | 12.9 ± 0.03 Å |
| b | 7.972 ± 0.01 Å |
| c | 20.23 ± 0.02 Å |
| α | 90° |
| β | 100.25 ± 0.07° |
| γ | 90° |
| Cell volume | 2047 ± 6 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.203 |
| Residual factor for significantly intense reflections | 0.0643 |
| Weighted residual factors for significantly intense reflections | 0.0872 |
| Weighted residual factors for all reflections included in the refinement | 0.1195 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.945 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231451 (current) | 2019-11-22 | cif/ Adding structures of 4003233 via cif-deposit CGI script. |
4003233.cif |
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Users of the data should acknowledge the original authors of the
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