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Information card for entry 7048354
Preview
| Coordinates | 7048354.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H24 Br8 Cl4 Cu N4 |
|---|---|
| Calculated formula | C46 H24 Br8 Cl4 Cu N4 |
| 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 | 20.6006 ± 0.0008 Å |
| b | 20.6006 ± 0.0008 Å |
| c | 10.102 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4287.1 ± 0.3 Å3 |
| Cell temperature | 116 K |
| Ambient diffraction temperature | 116 K |
| Number of distinct elements | 6 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0537 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.1305 |
| Weighted residual factors for all reflections included in the refinement | 0.135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| 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. |
7048354.cif |
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