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Information card for entry 4002855
Preview
| Coordinates | 4002855.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | tetrakis(trimethylsulfonium) decabromotriplumbate |
|---|---|
| Formula | C12 H36 Br10 Pb3 S4 |
| Calculated formula | C12 H36 Br10 Pb3 S4 |
| Title of publication | Broadband Emission with a Massive Stokes Shift from Sulfonium Pb‒Br Hybrids |
| Authors of publication | Smith, Matthew D.; Watson, Brian L.; Dauskardt, Reinhold H.; Karunadasa, Hemamala I. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2017 |
| Journal volume | 29 |
| Journal issue | 17 |
| Pages of publication | 7083 |
| a | 11.4104 ± 0.0005 Å |
| b | 9.2728 ± 0.0004 Å |
| c | 18.5164 ± 0.0008 Å |
| α | 90° |
| β | 97.622 ± 0.002° |
| γ | 90° |
| Cell volume | 1941.84 ± 0.15 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0483 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0788 |
| Weighted residual factors for all reflections included in the refinement | 0.0877 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.7749 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201597 (current) | 2017-10-04 | cif/ Adding structures of 4002855 via cif-deposit CGI script. |
4002855.cif |
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