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Information card for entry 1574951
Preview
| Coordinates | 1574951.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C79 H44 N9 O P |
|---|---|
| Calculated formula | C79 H44 N9 O P |
| Title of publication | Phosphonium Fullerides: Isolable Zwitterionic Adducts of a Phosphine with C60 |
| Authors of publication | Röthel, Maike Barbara; Franzen, Jonas Hermann; Leitner, Daniel; Hofer, Thomas; Seidl, Michael; Dielmann, Fabian |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 15.6389 ± 0.0004 Å |
| b | 13.6916 ± 0.0005 Å |
| c | 23.9526 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5128.8 ± 0.3 Å3 |
| Cell temperature | 153 K |
| Ambient diffraction temperature | 153 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0725 |
| Residual factor for significantly intense reflections | 0.0553 |
| Weighted residual factors for significantly intense reflections | 0.153 |
| Weighted residual factors for all reflections included in the refinement | 0.1673 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300238 (current) | 2025-06-27 | cif/ Adding structures of 1574951 via cif-deposit CGI script. |
1574951.cif |
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