Information card for entry 7211860
| Formula |
C17 H11 Br Cu6 N12 O6 |
| Calculated formula |
C17 H11 Br Cu6 N12 O6 |
| Title of publication |
Isomorphic polysupramolecules assembled from mixed valent Cu-triazolate sheets, benzene-1,3,5-tricarboxylates and halides |
| Authors of publication |
Zhang, Zhi-Ling; Shen, Gui-Lan; Cheng, Ying; Ding, You-Bang; Yin, Ye-Gao; Li, Dan |
| Journal of publication |
CrystEngComm |
| Year of publication |
2010 |
| Journal volume |
12 |
| Journal issue |
4 |
| Pages of publication |
1171 |
| a |
20.3711 ± 0.0005 Å |
| b |
20.3711 ± 0.0005 Å |
| c |
13.7711 ± 0.0008 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
5714.8 ± 0.4 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
87 |
| Hermann-Mauguin space group symbol |
I 4/m |
| Hall space group symbol |
-I 4 |
| Residual factor for all reflections |
0.0542 |
| Residual factor for significantly intense reflections |
0.0366 |
| Weighted residual factors for significantly intense reflections |
0.0963 |
| Weighted residual factors for all reflections included in the refinement |
0.1206 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.138 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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