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Information card for entry 7118623
Preview
| Coordinates | 7118623.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H80 F12 N8 O12 P4 S8 |
|---|---|
| Calculated formula | C48 H80 F12 N8 O12 P4 S8 |
| Title of publication | Tetra-cationic imidazoliumyl-substituted phosphorus-sulfur heterocycles from a cationic organophosphorus sulfide. |
| Authors of publication | Henne, Florian D.; Watt, Fabian A.; Schwedtmann, Kai; Hennersdorf, Felix; Kokoschka, Malte; Weigand, Jan J. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 10 |
| Pages of publication | 2023 - 2026 |
| a | 17.5055 ± 0.0004 Å |
| b | 17.5055 ± 0.0004 Å |
| c | 13.3734 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4098.2 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 79 |
| Hermann-Mauguin space group symbol | I 4 |
| Hall space group symbol | I 4 |
| Residual factor for all reflections | 0.0784 |
| Residual factor for significantly intense reflections | 0.0623 |
| Weighted residual factors for significantly intense reflections | 0.1627 |
| Weighted residual factors for all reflections included in the refinement | 0.1761 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7118623.cif |
| 175121 | 2016-01-27 | cif/ Adding structures of 7118623 via cif-deposit CGI script. |
7118623.cif |
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Users of the data should acknowledge the original authors of the
structural data.