Information card for entry 7059330
| Formula |
C112 H146 Cl16 N66 Na2 O45 Zn4 |
| Calculated formula |
C112 H114 Cl16 N65.5 Na2 O40 Zn4 |
| 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 |
32.023 ± 0.003 Å |
| b |
22.025 ± 0.002 Å |
| c |
28.035 ± 0.003 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
19773 ± 3 Å3 |
| Cell temperature |
223 ± 2 K |
| Ambient diffraction temperature |
222.98 K |
| Number of distinct elements |
7 |
| Space group number |
64 |
| Hermann-Mauguin space group symbol |
C m c e |
| Hall space group symbol |
-C 2ac 2 |
| Residual factor for all reflections |
0.0989 |
| Residual factor for significantly intense reflections |
0.0845 |
| Weighted residual factors for significantly intense reflections |
0.2562 |
| Weighted residual factors for all reflections included in the refinement |
0.2777 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.021 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7059330.html
