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Information card for entry 1543617
Preview
| Coordinates | 1543617.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [K2(DMF)3][Se6Sn2(mBDCA-5t)] |
|---|---|
| Formula | C48 H60 K2 N8 O7.5 Se6 Sn2 |
| Calculated formula | C48 H60 K2 N8 O7.5 Se6 Sn2 |
| Title of publication | Multi-electron reactivity of a cofacial di-tin(II) cryptand: Partial reduction of sulfur and selenium and reversible generation of S3●− |
| Authors of publication | Stauber, Julia; Mueller, Peter; Dai, Yizhe; Wu, Gang; Nocera, Daniel G.; Cummins, Christopher |
| Journal of publication | Chem. Sci. |
| Year of publication | 2016 |
| a | 13.2183 ± 0.0019 Å |
| b | 18.536 ± 0.003 Å |
| c | 16.295 ± 0.002 Å |
| α | 90° |
| β | 113.704 ± 0.002° |
| γ | 90° |
| Cell volume | 3655.7 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1017 |
| Residual factor for significantly intense reflections | 0.0718 |
| Weighted residual factors for significantly intense reflections | 0.1873 |
| Weighted residual factors for all reflections included in the refinement | 0.21 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184267 (current) | 2016-07-07 | cif/ Adding structures of 1543615, 1543616, 1543617 via cif-deposit CGI script. |
1543617.cif |
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Users of the data should acknowledge the original authors of the
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