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Information card for entry 4346067
Preview
| Coordinates | 4346067.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H44 B F24 Na S8 |
|---|---|
| Calculated formula | C48 H44 B F24 Na S8 |
| SMILES | [S]12[Na]345678[S](CC1)CC[S]3CC[S]4CC[S]5CC[S]6CC[S]7CC[S]8CC2.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |
| Title of publication | Sodium thioether macrocyclic chemistry: remarkable homoleptic octathia coordination to Na(+). |
| Authors of publication | Champion, Martin J. D.; Dyke, John M.; Levason, William; Light, Mark E.; Pugh, David; Bhakhoa, Hanusha; Rhyman, Lydia; Ramasami, Ponnadurai; Reid, Gillian |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 6 |
| Pages of publication | 2497 - 2499 |
| a | 12.8461 ± 0.0016 Å |
| b | 12.9256 ± 0.0017 Å |
| c | 18.696 ± 0.002 Å |
| α | 80.074 ± 0.005° |
| β | 72.78 ± 0.004° |
| γ | 89.917 ± 0.006° |
| Cell volume | 2916.8 ± 0.6 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0989 |
| Residual factor for significantly intense reflections | 0.0847 |
| Weighted residual factors for significantly intense reflections | 0.2255 |
| Weighted residual factors for all reflections included in the refinement | 0.2316 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4346067.html
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Users of the data should acknowledge the original authors of the
structural data.