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Information card for entry 7123584
Preview
| Coordinates | 7123584.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C100 H70 B4 F16 Fe4 N10 Pd2 |
|---|---|
| Calculated formula | C100 H70 B4 F16 Fe4 N10 Pd2 |
| Title of publication | Redox Active [Pd2L4]4+ Cages Constructed from Rotationally Flexible 1,1′-Disubstituted Ferrocene Ligands |
| Authors of publication | Vasdev, Roan A. S.; Findlay, James A.; Garden, Anna L.; Crowley, James D. |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 14.7833 ± 0.0009 Å |
| b | 15.2557 ± 0.0013 Å |
| c | 21.7631 ± 0.001 Å |
| α | 78.15 ± 0.005° |
| β | 89.339 ± 0.004° |
| γ | 85.522 ± 0.006° |
| Cell volume | 4788.9 ± 0.6 Å3 |
| Cell temperature | 99.97 ± 0.11 K |
| Ambient diffraction temperature | 99.97 ± 0.11 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1231 |
| Residual factor for significantly intense reflections | 0.0822 |
| Weighted residual factors for significantly intense reflections | 0.1908 |
| Weighted residual factors for all reflections included in the refinement | 0.22 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215642 (current) | 2019-06-01 | cif/ Adding structures of 7123583, 7123584 via cif-deposit CGI script. |
7123584.cif |
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Users of the data should acknowledge the original authors of the
structural data.