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Information card for entry 7041964
Preview
| Coordinates | 7041964.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | {Dy8} (2) |
|---|---|
| Formula | C128 H152 Dy8 N64 O32 |
| Calculated formula | C128 H104 Dy8 N64 O14 |
| SMILES | [Dy]1234567[OH][Dy]89%10%11%12%13[OH][Dy]%14%15%16%17%18([OH][Dy]%19%20%21%22%23([OH][Dy]%24%25%26%27%28([OH][Dy]%29%30%31%32%33([OH][Dy]%34%35%36%37%38([OH][Dy]%39%40%41([OH]1)([n]1n%36c(nc1c1[n]%39cccc1)CCc1[n]%35n%33c(n1)c1[n]%32cccc1)([n]1n%38c(nc1CCc1n%40[n]4c(n1)c1[n]5cccc1)c1[n]%37cccc1)[n]1ccccc1c1n%41[n]6c(n1)CCc1n7[n]%12c(n1)c1[n]%13cccc1)[n]1n%31c(nc1c1[n]%34cccc1)CCc1[n]%30n%28c(n1)c1[n]%27cccc1)[n]1n%26c(nc1c1[n]%29cccc1)CCc1[n]%25n%23c(n1)c1[n]%22cccc1)[n]1n%21c(nc1c1[n]%24cccc1)CCc1[n]%20n%18c(n1)c1[n]%17cccc1)[n]1n%16c(nc1c1[n]%19cccc1)CCc1[n]%15n%11c(n1)c1[n]%10cccc1)[n]1n9c(nc1c1[n]%14cccc1)CCc1[n]8n3c(n1)c1[n]2cccc1.O.O.O.O.O.O |
| Title of publication | Di- and octa-nuclear dysprosium clusters derived from pyridyl-triazole based ligand: {Dy2} showing single molecule magnetic behaviour. |
| Authors of publication | Akhtar, Muhammad Nadeem; Liao, Xiao-Fen; Chen, Yan-Cong; Liu, Jun-Liang; Tong, Ming-Liang |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2017 |
| Journal volume | 46 |
| Journal issue | 9 |
| Pages of publication | 2981 - 2987 |
| a | 22.003 ± 0.002 Å |
| b | 30.483 ± 0.003 Å |
| c | 24.946 ± 0.002 Å |
| α | 90° |
| β | 108.674 ± 0.002° |
| γ | 90° |
| Cell volume | 15851 ± 2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123.15 K |
| Number of distinct elements | 5 |
| 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 | 0.2193 |
| Residual factor for significantly intense reflections | 0.1108 |
| Weighted residual factors for significantly intense reflections | 0.243 |
| Weighted residual factors for all reflections included in the refinement | 0.3112 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193845 (current) | 2017-03-05 | cif/ Updating files of 7041963, 7041964 Original log message: Adding full bibliography for 7041963--7041964.cif. |
7041964.cif |
| 191850 | 2017-02-07 | cif/ Adding structures of 7041963, 7041964 via cif-deposit CGI script. |
7041964.cif |
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