Information card for entry 1529215
| Formula |
C189 H157 Cl15 Dy2 N22 S2 |
| Calculated formula |
C189 H157 Cl15 Dy2 N22 S2 |
| Title of publication |
Rational enhancement of the energy barrier of bis(tetrapyrrole) dysprosium SMMs via replacing atom of porphyrin core |
| Authors of publication |
Cao, Wei; Gao, Chen; Zhang, Yi-Quan; Qi, Dongdong; Liu, Tao; Wang, Kang; Duan, Chunying; Gao, Song; Jiang, Jianzhuang |
| Journal of publication |
Chem. Sci. |
| Year of publication |
2015 |
| Journal volume |
6 |
| Journal issue |
10 |
| Pages of publication |
5947 |
| a |
31.8037 ± 0.0011 Å |
| b |
17.264 ± 0.0004 Å |
| c |
32.0054 ± 0.0008 Å |
| α |
90° |
| β |
102.045 ± 0.003° |
| γ |
90° |
| Cell volume |
17186 ± 0.9 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 ± 2 K |
| Number of distinct elements |
6 |
| 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 |
0.0973 |
| Residual factor for significantly intense reflections |
0.0684 |
| Weighted residual factors for significantly intense reflections |
0.1745 |
| Weighted residual factors for all reflections included in the refinement |
0.1888 |
| 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 |
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The link is:
https://www.crystallography.net/1529215.html
