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Information card for entry 1536871
Preview
| Coordinates | 1536871.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H48 Cl3 Dy N4 O8 Zn2 |
|---|---|
| Calculated formula | C44 H48 Cl3 Dy N4 O8 Zn2 |
| SMILES | [Dy]123456(Cl)([O]7[Zn]89(Cl)[O]1c1c([O]3C)cccc1C=[N]9[C@@H]1CCCC[C@H]1[N]8=Cc1cccc([O]2C)c71)[O]1[Zn]23(Cl)[O]4c4c([O]6C)cccc4C=[N]3[C@@H]3CCCC[C@H]3[N]2=Cc2cccc([O]5C)c12.[Dy]123456(Cl)([O]7[Zn]89(Cl)[O]1c1c([O]3C)cccc1C=[N]9[C@H]1CCCC[C@@H]1[N]8=Cc1cccc([O]2C)c71)[O]1[Zn]23(Cl)[O]4c4c([O]6C)cccc4C=[N]3[C@H]3CCCC[C@@H]3[N]2=Cc2cccc([O]5C)c12 |
| Title of publication | High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design |
| Authors of publication | Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song |
| Journal of publication | Chem. Sci. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 1 |
| Pages of publication | 684 |
| a | 16.2823 ± 0.0006 Å |
| b | 23.8976 ± 0.001 Å |
| c | 14.0704 ± 0.0006 Å |
| α | 90° |
| β | 104.843 ± 0.004° |
| γ | 90° |
| Cell volume | 5292.2 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0461 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0893 |
| Weighted residual factors for all reflections included in the refinement | 0.0947 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 175915 (current) | 2016-02-04 | cif/ Updating files of 1536868, 1536869, 1536870, 1536871 Original log message: Adding full bibliography for 1536868--1536871.cif. |
1536871.cif |
| 164761 | 2015-10-10 | cif/ Adding structures of 1536868, 1536869, 1536870, 1536871 via cif-deposit CGI script. |
1536871.cif |
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