Information card for entry 7720265
| Formula |
C30 H33 Ba2 Br3 Cu4 N5 O16.5 |
| Calculated formula |
C30 H33 Ba2 Br3 Cu4 N5 O16.5 |
| Title of publication |
A series of CuX (X = Br, I) modules bearing Ba-MOFs: Structures, fluorescence and sensing properties |
| Authors of publication |
Peng, Can; Zhang, Sheng-Mao; Liu, Jin-Mei; Wang, Nian-Hao; Tian, Lin-Xu; Ping, Xue-hao; Zhao, Jia-jing; Wu, Zhao-Feng; Huang, Xiao-Ying |
| Journal of publication |
Dalton Transactions |
| Year of publication |
2026 |
| a |
9.2951 ± 0.0002 Å |
| b |
11.6513 ± 0.0002 Å |
| c |
20.1943 ± 0.0004 Å |
| α |
74.916 ± 0.002° |
| β |
81.305 ± 0.002° |
| γ |
86.706 ± 0.002° |
| Cell volume |
2087.04 ± 0.07 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 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 |
0.0411 |
| Residual factor for significantly intense reflections |
0.0295 |
| Weighted residual factors for significantly intense reflections |
0.0658 |
| Weighted residual factors for all reflections included in the refinement |
0.0691 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.034 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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