Information card for entry 4505945
| Formula |
C70 H80 Cd5 N24 O17 |
| Calculated formula |
C70 H74 Cd5 N24 O17 |
| Title of publication |
Two Cadmium-Cluster-Based Metal‒Organic Frameworks with Mixed Ligands of 1,2,3-Benzenetriazole (HBTA) and 1,4-Benzenedicarboxylic acid (H2BDC) |
| Authors of publication |
Zhong, Di-Chang; Deng, Ji-Hua; Luo, Xu-Zhong; Liu, Hui-Jin; Zhong, Jin-Lian; Wang, Ke-Jun; Lu, Tong-Bu |
| Journal of publication |
Crystal Growth & Design |
| Year of publication |
2012 |
| Journal volume |
12 |
| Journal issue |
4 |
| Pages of publication |
1992 |
| a |
24.1035 ± 0.0006 Å |
| b |
24.512 ± 0.0007 Å |
| c |
16.857 ± 0.0005 Å |
| α |
90° |
| β |
124.65 ± 0.001° |
| γ |
90° |
| Cell volume |
8193.1 ± 0.4 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
15 |
| Hermann-Mauguin space group symbol |
C 1 2/c 1 |
| Hall space group symbol |
-C 2yc |
| Residual factor for all reflections |
0.0383 |
| Residual factor for significantly intense reflections |
0.0345 |
| Weighted residual factors for significantly intense reflections |
0.0854 |
| Weighted residual factors for all reflections included in the refinement |
0.0941 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.101 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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