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Information card for entry 7048355
Preview
| Coordinates | 7048355.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C129 H106 Cl10 Fe8 N4 O2 |
|---|---|
| Calculated formula | C129 H106 Cl10 Fe8 N4 O2 |
| Title of publication | Diaqua-β-Octaferrocenyltetraphenylporphyrin: A Multiredox-active and Air-stable 16π Non-Aromat |
| Authors of publication | Rueffer, Tobias; Al-Shewiki, Rasha; Korb, Marcus; Hildebrandt, Alexander; Zahn, Stefan; Naumov, Sergej; Buschbeck, Roy; Lang, Heinrich |
| Journal of publication | Dalton Transactions |
| Year of publication | 2018 |
| a | 15.1184 ± 0.0003 Å |
| b | 23.6167 ± 0.0006 Å |
| c | 15.6626 ± 0.0005 Å |
| α | 90° |
| β | 92.824 ± 0.002° |
| γ | 90° |
| Cell volume | 5585.5 ± 0.3 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1029 |
| Residual factor for significantly intense reflections | 0.0862 |
| Weighted residual factors for significantly intense reflections | 0.2215 |
| Weighted residual factors for all reflections included in the refinement | 0.2405 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212564 (current) | 2018-12-13 | cif/ Adding structures of 7048354, 7048355 via cif-deposit CGI script. |
7048355.cif |
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