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Information card for entry 1559339
Preview
| Coordinates | 1559339.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C148 H150 Cl3 Fe2 N24 O29 S2 |
|---|---|
| Calculated formula | C148 H150 Cl3 Fe2 N24 O29 S2 |
| Title of publication | Aromatic foldamers as scaffolds for metal second coordination sphere design |
| Authors of publication | Meunier, Antoine; Singleton, Michael; Kauffmann, Brice; Granier, Thierry; Lautrette, Guillaume; Ferrand, Yann; Huc, Ivan |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 17.679 ± 0.004 Å |
| b | 22.049 ± 0.004 Å |
| c | 25.574 ± 0.005 Å |
| α | 72.8 ± 0.03° |
| β | 73.1 ± 0.03° |
| γ | 79.74 ± 0.03° |
| Cell volume | 9065 ± 4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.1384 |
| Residual factor for significantly intense reflections | 0.1129 |
| Weighted residual factors for significantly intense reflections | 0.3401 |
| Weighted residual factors for all reflections included in the refinement | 0.3608 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.367 |
| Diffraction radiation wavelength | 0.81 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258320 (current) | 2020-10-13 | cif/ Adding structures of 1559336, 1559337, 1559338, 1559339, 1559340 via cif-deposit CGI script. |
1559339.cif |
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Users of the data should acknowledge the original authors of the
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