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Information card for entry 1543616
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| Coordinates | 1543616.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [K(Kryptofix-2,2,2]2[Sn2(mBDCA-5t)] |
|---|---|
| Formula | C84 H132 K2 N12 O18 Sn2 |
| Calculated formula | C84 H132 K2 N12 O18 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 | 13.1963 ± 0.0019 Å |
| b | 13.1963 ± 0.0019 Å |
| c | 29.806 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4495.1 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 176 |
| Hermann-Mauguin space group symbol | P 63/m |
| Hall space group symbol | -P 6c |
| Residual factor for all reflections | 0.0481 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0931 |
| Weighted residual factors for all reflections included in the refinement | 0.1008 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| 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. |
1543616.cif |
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