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Information card for entry 4347882
Preview
| Coordinates | 4347882.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Bis(triphenylphosphine)iminium dihydrogenhexametaphosphate dihydrate |
|---|---|
| Formula | C144 H126 N4 O20 P14 |
| Calculated formula | C144 H126 N4 O20 P14 |
| 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 | 14.7633 ± 0.0009 Å |
| b | 16.1312 ± 0.001 Å |
| c | 17.2418 ± 0.0011 Å |
| α | 97.032 ± 0.0014° |
| β | 107.049 ± 0.0013° |
| γ | 109.781 ± 0.0013° |
| Cell volume | 3580.2 ± 0.4 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 | 0.0648 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.1067 |
| Weighted residual factors for all reflections included in the refinement | 0.1166 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| 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. |
4347882.cif |
| 232561 | 2019-11-23 | cif/ Adding structures of 4347882 via cif-deposit CGI script. |
4347882.cif |
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Users of the data should acknowledge the original authors of the
structural data.