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Information card for entry 4349458
Preview
| Coordinates | 4349458.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H14 B Er |
|---|---|
| Calculated formula | C13 H14 B Er |
| SMILES | [Er]123456789%10%11([CH]%12=[CH]1C2[CH]3=[CH]%11B%12)[CH]1=[CH]4[CH]5=[CH]6[CH]7=[CH]8[CH]9=[CH]%101 |
| Title of publication | (Boratabenzene)(cyclooctatetraenyl) lanthanide complexes: a new type of organometallic single-ion magnet |
| Authors of publication | Meng, Yin-Shan; Wang, Chun-Hong; Zhang, Yi-Quan; Leng, Xue-Bing; Wang, Bing-Wu; Chen, Yao-Feng; Gao, Song |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 6 |
| Pages of publication | 828 |
| a | 11.392 ± 0.002 Å |
| b | 8.2764 ± 0.0016 Å |
| c | 12.051 ± 0.002 Å |
| α | 90° |
| β | 100.915 ± 0.003° |
| γ | 90° |
| Cell volume | 1115.7 ± 0.3 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0657 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.1477 |
| Weighted residual factors for all reflections included in the refinement | 0.1596 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234793 (current) | 2019-11-23 | cif/ Adding structures of 4349458, 4349459, 4349460, 4349461, 4349462, 4349463, 4349464 via cif-deposit CGI script. |
4349458.cif |
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Users of the data should acknowledge the original authors of the
structural data.