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Information card for entry 4347883
Preview
| Coordinates | 4347883.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Bis(triphenylphosphine)iminium octahydrogentris(tetrametaphosphate) |
|---|---|
| Formula | C148 H138 N4 O38 P20 |
| Calculated formula | C148 H138 N4 O38 P20 |
| Title of publication | Crystalline Metaphosphate Acid Salts: Synthesis in Organic Media, Structures, Hydrogen-Bonding Capability, and Implication of Superacidity. |
| Authors of publication | Chakarawet, Khetpakorn; Knopf, Ioana; Nava, Matthew; Jiang, Yanfeng; Stauber, Julia M.; Cummins, Christopher C. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 12 |
| Pages of publication | 6178 - 6185 |
| a | 17.841 ± 0.003 Å |
| b | 17.919 ± 0.003 Å |
| c | 26.667 ± 0.004 Å |
| α | 82.161 ± 0.003° |
| β | 72.116 ± 0.003° |
| γ | 63.235 ± 0.002° |
| Cell volume | 7244 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1095 |
| Residual factor for significantly intense reflections | 0.0544 |
| Weighted residual factors for significantly intense reflections | 0.127 |
| Weighted residual factors for all reflections included in the refinement | 0.1554 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4347883.cif |
| 232562 | 2019-11-23 | cif/ Adding structures of 4347883 via cif-deposit CGI script. |
4347883.cif |
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Users of the data should acknowledge the original authors of the
structural data.