Information card for entry 1549931
| Formula |
C642 H612 Cl12 N72 Ni48 O126 S48 |
| Calculated formula |
C642 H600 Cl12 N72 Ni48 O126 S48 |
| Title of publication |
Merohedral icosahedral M<sub>48</sub> (M = Co<sup>II</sup>, Ni<sup>II</sup>) cage clusters supported by thiacalix[4]arene. |
| Authors of publication |
Geng, Dantong; Han, Xu; Bi, Yanfeng; Qin, Yucai; Li, Qiang; Huang, Liangliang; Zhou, Kun; Song, Lijuan; Zheng, Zhiping |
| Journal of publication |
Chemical science |
| Year of publication |
2018 |
| Journal volume |
9 |
| Journal issue |
45 |
| Pages of publication |
8535 - 8541 |
| a |
37.799 ± 0.006 Å |
| b |
37.799 ± 0.006 Å |
| c |
86.192 ± 0.013 Å |
| α |
90° |
| β |
90° |
| γ |
120° |
| Cell volume |
106649 ± 3 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
7 |
| Space group number |
148 |
| Hermann-Mauguin space group symbol |
R -3 :H |
| Hall space group symbol |
-R 3 |
| Residual factor for all reflections |
0.1109 |
| Residual factor for significantly intense reflections |
0.0617 |
| Weighted residual factors for significantly intense reflections |
0.1536 |
| Weighted residual factors for all reflections included in the refinement |
0.1692 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.03 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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