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Information card for entry 4514424
Preview
| Coordinates | 4514424.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H18 Bi I5 N2 |
|---|---|
| Calculated formula | C6 H18 Bi I5 N2 |
| Title of publication | Influence of One Specific Carbon‒Carbon Bond on the Quality, Stability, and Photovoltaic Performance of Hybrid Organic‒Inorganic Bismuth Iodide Materials |
| Authors of publication | Fabian, David M.; Ganose, Alex M.; Ziller, Joseph W.; Scanlon, David O.; Beard, Matthew C.; Ardo, Shane |
| Journal of publication | ACS Applied Energy Materials |
| Year of publication | 2019 |
| Journal volume | 2 |
| Journal issue | 3 |
| Pages of publication | 1579 |
| a | 15.0653 ± 0.0013 Å |
| b | 14.1204 ± 0.0012 Å |
| c | 8.6201 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1833.7 ± 0.3 Å3 |
| Cell temperature | 128 ± 2 K |
| Ambient diffraction temperature | 128 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.029 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for significantly intense reflections | 0.0644 |
| Weighted residual factors for all reflections included in the refinement | 0.0646 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.15 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219528 (current) | 2019-10-27 | cif/ Adding structures of 4514424 via cif-deposit CGI script. |
4514424.cif |
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Users of the data should acknowledge the original authors of the
structural data.