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Information card for entry 1544239
Preview
| Coordinates | 1544239.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H102 Gd2 O8 |
|---|---|
| Calculated formula | C64 H102 Gd2 O8 |
| SMILES | [Gd]1(Oc2c(cccc2C(C)(C)C)C(C)(C)C)(Oc2c(cccc2C(C)(C)C)C(C)(C)C)([O]2CCCC2)[OH][Gd](Oc2c(cccc2C(C)(C)C)C(C)(C)C)(Oc2c(cccc2C(C)(C)C)C(C)(C)C)([O]2CCCC2)[OH]1 |
| Title of publication | Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers. |
| Authors of publication | Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song |
| Journal of publication | Chemical science |
| Year of publication | 2017 |
| Journal volume | 8 |
| Journal issue | 2 |
| Pages of publication | 1288 - 1294 |
| a | 19.3419 ± 0.0003 Å |
| b | 15.68151 ± 0.00018 Å |
| c | 20.772 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6300.36 ± 0.15 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0373 |
| Residual factor for significantly intense reflections | 0.0237 |
| Weighted residual factors for significantly intense reflections | 0.0471 |
| Weighted residual factors for all reflections included in the refinement | 0.0535 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.138 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196356 (current) | 2017-05-06 | cif/ Updating files of 1544237, 1544238, 1544239 Original log message: Adding full bibliography for 1544237--1544239.cif. |
1544239.cif |
| 191527 | 2017-02-04 | cif/ Updating files of 1544237, 1544238, 1544239 Original log message: Adding full bibliography for 1544237--1544239.cif. |
1544239.cif |
| 186884 | 2016-10-04 | cif/ Adding structures of 1544237, 1544238, 1544239 via cif-deposit CGI script. |
1544239.cif |
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Users of the data should acknowledge the original authors of the
structural data.