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Information card for entry 1559336
Preview
| Coordinates | 1559336.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H33 Fe2 N3 O12 S2 |
|---|---|
| Calculated formula | C33 H33 Fe2 N3 O12 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 | 11.614 ± 0.002 Å |
| b | 11.913 ± 0.002 Å |
| c | 14.995 ± 0.003 Å |
| α | 90.34 ± 0.03° |
| β | 100.67 ± 0.03° |
| γ | 114.2 ± 0.03° |
| Cell volume | 1851.9 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0618 |
| Residual factor for significantly intense reflections | 0.0575 |
| Weighted residual factors for significantly intense reflections | 0.1508 |
| Weighted residual factors for all reflections included in the refinement | 0.155 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.8 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. |
1559336.cif |
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Users of the data should acknowledge the original authors of the
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