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Information card for entry 4088916
Preview
| Coordinates | 4088916.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H80 F K O34 Si8 |
|---|---|
| Calculated formula | C52 H80 F K O34 Si8 |
| Title of publication | Synthesis and Structures of Novel Molecular Ionic Compounds Based on Encapsulation of Anions and Cations |
| Authors of publication | El Aziz, Youssef; Taylor, Peter G.; Bassindale, Alan R.; Coles, Simon J.; Pitak, Mateusz B. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 24 |
| Pages of publication | 4004 |
| a | 8.445 ± 0.003 Å |
| b | 14.704 ± 0.005 Å |
| c | 16.727 ± 0.005 Å |
| α | 73.882 ± 0.013° |
| β | 79.293 ± 0.013° |
| γ | 88.688 ± 0.014° |
| Cell volume | 1959.8 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0837 |
| Residual factor for significantly intense reflections | 0.0729 |
| Weighted residual factors for significantly intense reflections | 0.1979 |
| Weighted residual factors for all reflections included in the refinement | 0.2067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4088916.cif |
| 237880 | 2019-11-24 | cif/ Adding structures of 4088916, 4088917, 4088918, 4088919, 4088920, 4088921 via cif-deposit CGI script. |
4088916.cif |
All data in the COD and the database itself are dedicated to the
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CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.