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Information card for entry 1559031
Preview
| Coordinates | 1559031.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C218 H159 F48 Fe10 N49 O32 S16 |
|---|---|
| Calculated formula | C218 H159 F48 Fe10 N49 O32 S16 |
| Title of publication | Oxidation triggers guest dissociation during reorganization of an FeII4L6 twisted parallelogram |
| Authors of publication | Plajer, Alex J.; Rizzuto, Felix; von Krbek, Larissa K. S.; Gisbert, Yohan; Martínez-Agramunt, Víctor; Nitschke, Jonathan |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 26.651 ± 0.005 Å |
| b | 27.05 ± 0.005 Å |
| c | 36.959 ± 0.007 Å |
| α | 90° |
| β | 98.81 ± 0.03° |
| γ | 90° |
| Cell volume | 26330 ± 9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1792 |
| Residual factor for significantly intense reflections | 0.1492 |
| Weighted residual factors for significantly intense reflections | 0.3261 |
| Weighted residual factors for all reflections included in the refinement | 0.3409 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.6889 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256288 (current) | 2020-09-10 | cif/ Adding structures of 1559031 via cif-deposit CGI script. |
1559031.cif |
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Users of the data should acknowledge the original authors of the
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