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Information card for entry 7043685
Preview
| Coordinates | 7043685.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H62 Gd4 N10 O32 |
|---|---|
| Calculated formula | C26 H62 Gd4 N10 O32 |
| Title of publication | Coming full circle: constructing a [Gd6] wheel dimer by dimer and the importance of spin topology |
| Authors of publication | Brechin, Euan K.; Hooper, Thomas N.; Langley, Stuart K.; Gómez-Coca, Silvia; Lorusso, Giulia; Ruiz, Eliseo; Murray, Keith S.; Evangelisti, Marco |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 14.0518 ± 0.0004 Å |
| b | 11.2346 ± 0.0003 Å |
| c | 16.6847 ± 0.0005 Å |
| α | 90° |
| β | 103.776 ± 0.003° |
| γ | 90° |
| Cell volume | 2558.18 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0825 |
| Residual factor for significantly intense reflections | 0.0756 |
| Weighted residual factors for significantly intense reflections | 0.1966 |
| Weighted residual factors for all reflections included in the refinement | 0.1995 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.166 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7043685.cif |
| 198799 | 2017-07-19 | cif/ Adding structures of 7043685, 7043686 via cif-deposit CGI script. |
7043685.cif |
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Users of the data should acknowledge the original authors of the
structural data.