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Information card for entry 1518899
Preview
| Coordinates | 1518899.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H72 Cl4 Dy4 N20 O14 |
|---|---|
| Calculated formula | C56 H72 Cl4 Dy4 N20 O14 |
| SMILES | [Dy]12345(Cl)([OH]6[Dy]789([OH]%10[Dy]%11%12%13(Cl)([OH]7)([OH2])[n]7ccccc7c7n%11[n]%11[Dy]%146%10([OH]1)([OH2])([n]1c(c%11n7)cccc1)[n]1n%13c(nc1c1[n]%14cccc1)c1[n]%12cccc1)([OH2])([n]1n3c(nc1c1[n]8cccc1)c1[n]2cccc1)[n]1n5c(nc1c1[n]9cccc1)c1[n]4cccc1)[OH2].[Cl-].[Cl-].OCC.OCC.O.OCC.OCC.O |
| Title of publication | Efficient enhancement of magnetic anisotropy by optimizing the ligand-field in a typically tetranuclear dysprosium cluster. |
| Authors of publication | Liu, Jiang; Chen, Yan-Cong; Jiang, Zhong-Xia; Liu, Jun-Liang; Jia, Jian-Hua; Wang, Long-Fei; Li, Quan-Wen; Tong, Ming-Liang |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 17 |
| Pages of publication | 8150 - 8155 |
| a | 11.681 ± 0.0009 Å |
| b | 12.2354 ± 0.0009 Å |
| c | 14.2356 ± 0.001 Å |
| α | 75.848 ± 0.002° |
| β | 69.993 ± 0.002° |
| γ | 67.549 ± 0.002° |
| Cell volume | 1751.6 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0693 |
| Residual factor for significantly intense reflections | 0.0571 |
| Weighted residual factors for significantly intense reflections | 0.1372 |
| Weighted residual factors for all reflections included in the refinement | 0.1458 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518899.cif |
| 138747 | 2015-06-07 | cif/ Updating files of 1518899, 1518900 Original log message: Adding full bibliography for 1518899--1518900.cif. |
1518899.cif |
| 134405 | 2015-03-26 | cif/ Adding structures of 1518899, 1518900 via cif-deposit CGI script. |
1518899.cif |
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