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Information card for entry 7057345
Preview
| Coordinates | 7057345.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C6 Cl2 F12 O4 S2 |
|---|---|
| Calculated formula | C6 Cl2 F12 O4 S2 |
| Title of publication | Cooperative intermolecular S–Cl⋯O and F⋯F associations in the crystal packing of α,ω-di(sulfonyl chloride) perfluoroalkanes, ClSO2(CF2)nSO2Cl, where n = 4, 6 |
| Authors of publication | Liu, Xiaolin; McMillen, Colin D.; Thrasher, Joseph S. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2018 |
| Journal volume | 42 |
| Journal issue | 13 |
| Pages of publication | 10484 |
| a | 5.3148 ± 0.0007 Å |
| b | 24.007 ± 0.003 Å |
| c | 5.8975 ± 0.0008 Å |
| α | 90° |
| β | 111.669 ± 0.003° |
| γ | 90° |
| Cell volume | 699.3 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0667 |
| Residual factor for significantly intense reflections | 0.0616 |
| Weighted residual factors for significantly intense reflections | 0.1578 |
| Weighted residual factors for all reflections included in the refinement | 0.1597 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7057345.cif |
| 230368 | 2019-11-17 | cif/ Updating files of 7057344, 7057345 Original log message: Adding full bibliography for 7057344--7057345.cif. |
7057345.cif |
| 207501 | 2018-04-27 | cif/ Adding structures of 7057344, 7057345 via cif-deposit CGI script. |
7057345.cif |
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Users of the data should acknowledge the original authors of the
structural data.