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Information card for entry 7126388
Preview
| Coordinates | 7126388.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H116 Al2 Dy2 |
|---|---|
| Calculated formula | C76 H116 Al2 Dy2 |
| SMILES | [Al]1([CH3][Dy]23456789([c]%10([c]5([c]4([c]3([c]2%10C)C)C)C)C)([c]2([c]6([c]7([c]8([c]92C)C)C)C)C)[CH3][Al]([CH3][Dy]23456789([CH3]1)([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C)(C)C)(C)C.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1 |
| Title of publication | A double-dysprosocenium single-molecule magnet bound together with neutral ligands. |
| Authors of publication | Evans, Peter; Reta, Daniel; Goodwin, Conrad A. P.; Ortu, Fabrizio; Chilton, Nicholas F.; Mills, David P. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 42 |
| Pages of publication | 5677 - 5680 |
| a | 11.1938 ± 0.0003 Å |
| b | 12.4457 ± 0.0007 Å |
| c | 14.8073 ± 0.0005 Å |
| α | 104.043 ± 0.004° |
| β | 100.205 ± 0.003° |
| γ | 111.785 ± 0.004° |
| Cell volume | 1774.66 ± 0.15 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1235 |
| Residual factor for significantly intense reflections | 0.0941 |
| Weighted residual factors for significantly intense reflections | 0.2336 |
| Weighted residual factors for all reflections included in the refinement | 0.2574 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0363 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252703 (current) | 2020-06-05 | cif/ Updating files of 7126383, 7126384, 7126385, 7126386, 7126387, 7126388 Original log message: Adding full bibliography for 7126383--7126388.cif. |
7126388.cif |
| 250868 | 2020-04-17 | cif/ Adding structures of 7126383, 7126384, 7126385, 7126386, 7126387, 7126388 via cif-deposit CGI script. |
7126388.cif |
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