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Information card for entry 1543857
Preview
| Coordinates | 1543857.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C39 H95 Er2 K N4 O2 Si8 |
|---|---|
| Calculated formula | C39 H95 Er2 K N4 O2 Si8 |
| Title of publication | Cycloheptatrienyl trianion: an elusive bridge in the search of exchange coupled dinuclear organolanthanide single-molecule magnets. |
| Authors of publication | Harriman, Katie L. M.; Le Roy, Jennifer J.; Ungur, Liviu; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee |
| Journal of publication | Chemical science |
| Year of publication | 2017 |
| Journal volume | 8 |
| Journal issue | 1 |
| Pages of publication | 231 - 240 |
| a | 20.1042 ± 0.0007 Å |
| b | 18.7574 ± 0.0006 Å |
| c | 16.5696 ± 0.0006 Å |
| α | 90° |
| β | 107.851 ± 0.0017° |
| γ | 90° |
| Cell volume | 5947.6 ± 0.4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0438 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.1251 |
| Weighted residual factors for all reflections included in the refinement | 0.1325 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1543857.cif |
| 196320 | 2017-05-06 | cif/ Updating files of 1543854, 1543855, 1543856, 1543857 Original log message: Adding full bibliography for 1543854--1543857.cif. |
1543857.cif |
| 191543 | 2017-02-04 | cif/ Updating files of 1543854, 1543855, 1543856, 1543857 Original log message: Adding full bibliography for 1543854--1543857.cif. |
1543857.cif |
| 185693 | 2016-08-09 | cif/ Adding structures of 1543854, 1543855, 1543856, 1543857 via cif-deposit CGI script. |
1543857.cif |
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Users of the data should acknowledge the original authors of the
structural data.