Information card for entry 7238090
| Formula |
C64 H56 Br4 N8 O43 Si W12 |
| Calculated formula |
C64 H44 Br4 N8 O43 Si W12 |
| Title of publication |
Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates |
| Authors of publication |
Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai |
| Journal of publication |
CrystEngComm |
| Year of publication |
2005 |
| Journal volume |
7 |
| Journal issue |
63 |
| Pages of publication |
380 |
| a |
9.897 ± 0.002 Å |
| b |
14.401 ± 0.003 Å |
| c |
15.775 ± 0.003 Å |
| α |
87.64 ± 0.03° |
| β |
72.1 ± 0.03° |
| γ |
79.24 ± 0.03° |
| Cell volume |
2101.6 ± 0.8 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
7 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0787 |
| Residual factor for significantly intense reflections |
0.0706 |
| Weighted residual factors for significantly intense reflections |
0.1504 |
| Weighted residual factors for all reflections included in the refinement |
0.1538 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.199 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7238090.html
