Information card for entry 7208923
| Formula |
C60 H106 N27 O38 Y |
| Calculated formula |
C60 H72 N27 O25 Y |
| Title of publication |
Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil |
| Authors of publication |
Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu |
| Journal of publication |
CrystEngComm |
| Year of publication |
2013 |
| Journal volume |
15 |
| Journal issue |
4 |
| Pages of publication |
738 |
| a |
15.9003 ± 0.0008 Å |
| b |
15.9406 ± 0.0008 Å |
| c |
18.1921 ± 0.0009 Å |
| α |
74.646 ± 0.002° |
| β |
89.345 ± 0.002° |
| γ |
63.329 ± 0.002° |
| Cell volume |
3942.3 ± 0.4 Å3 |
| Cell temperature |
223 ± 2 K |
| Ambient diffraction temperature |
223 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0817 |
| Residual factor for significantly intense reflections |
0.0585 |
| Weighted residual factors for significantly intense reflections |
0.16 |
| Weighted residual factors for all reflections included in the refinement |
0.1734 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.064 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/7208923.html
