Information card for entry 7208921
| Formula |
C60 H106 Er N27 O38 |
| Calculated formula |
C60 H72 Er N27 O25 |
| 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 |
15.9051 ± 0.0013 Å |
| b |
15.9844 ± 0.0013 Å |
| c |
18.1694 ± 0.0015 Å |
| α |
74.805 ± 0.003° |
| β |
89.245 ± 0.003° |
| γ |
63.414 ± 0.002° |
| Cell volume |
3957.3 ± 0.6 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 |
0.044 |
| Residual factor for significantly intense reflections |
0.0412 |
| Weighted residual factors for significantly intense reflections |
0.1257 |
| Weighted residual factors for all reflections included in the refinement |
0.1288 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.098 |
| 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/7208921.html
