Information card for entry 7059331
| Formula |
C60 H79 Cd3 Cl11 N34 O20 |
| Calculated formula |
C60 H60 Cd3 Cl11 N33 O16 |
| Title of publication |
Supramolecular assemblies controlled by cucurbit[n]uril size (n = 6, 7, 8 and 10) |
| Authors of publication |
Xu, Weitao; Deng, Xinyu; Xiao, Xin; Bian, Bing; Chen, Qing; Dalgarno, Scott J.; Tao, Zhu; Redshaw, Carl |
| Journal of publication |
New Journal of Chemistry |
| Year of publication |
2020 |
| Journal volume |
44 |
| Journal issue |
11 |
| Pages of publication |
4311 - 4318 |
| a |
20.6911 ± 0.0004 Å |
| b |
32.6874 ± 0.0006 Å |
| c |
20.6631 ± 0.0004 Å |
| α |
90° |
| β |
100.9 ± 0.001° |
| γ |
90° |
| Cell volume |
13723.1 ± 0.5 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 2 K |
| Number of distinct elements |
6 |
| 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 |
0.0594 |
| Residual factor for significantly intense reflections |
0.0562 |
| Weighted residual factors for significantly intense reflections |
0.1762 |
| Weighted residual factors for all reflections included in the refinement |
0.18 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.071 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7059331.html
