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Information card for entry 1567604
Preview
| Coordinates | 1567604.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Fc@8CCP |
|---|---|
| Formula | C178 H130 Cl12 Fe3 |
| Calculated formula | C178 H130 Cl12 Fe3 |
| Title of publication | Redox-Switchable Host-Guest Complexes of Metallocenes and [8]Cycloparaphenylene |
| Authors of publication | Kwon, Hyejin; Newell, Brian S.; Bruns, Carson J. |
| Journal of publication | Nanoscale |
| Year of publication | 2022 |
| a | 13.9204 ± 0.0005 Å |
| b | 26.8345 ± 0.0009 Å |
| c | 18.8544 ± 0.0007 Å |
| α | 90° |
| β | 97.032 ± 0.002° |
| γ | 90° |
| Cell volume | 6990 ± 0.4 Å3 |
| Cell temperature | 142 ± 2 K |
| Ambient diffraction temperature | 142 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1274 |
| Residual factor for significantly intense reflections | 0.0847 |
| Weighted residual factors for significantly intense reflections | 0.2231 |
| Weighted residual factors for all reflections included in the refinement | 0.2591 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277727 (current) | 2022-09-08 | cif/ Adding structures of 1567604, 1567605 via cif-deposit CGI script. |
1567604.cif |
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