Information card for entry 7242166
| Formula |
C64 H52 Ba3 N2 O16 |
| Calculated formula |
C64 H52 Ba3 N2 O16 |
| Title of publication |
A new 3D luminescent Ba-organic framework with high open metal sites: CO2 fixation, luminescence sensing, and dye sorption |
| Authors of publication |
Wang, Meng; Liu, Jiao; Jin, Jing; Wu, Dan; Yang, Guoping; Zhang, Wen-Yan; Wang, Yao-Yu |
| Journal of publication |
CrystEngComm |
| Year of publication |
2021 |
| Journal volume |
23 |
| Journal issue |
3 |
| Pages of publication |
663 - 670 |
| a |
16.369 ± 0.003 Å |
| b |
17.804 ± 0.003 Å |
| c |
25.19 ± 0.007 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
7341 ± 3 Å3 |
| Cell temperature |
168 ± 2 K |
| Ambient diffraction temperature |
168 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
19 |
| Hermann-Mauguin space group symbol |
P 21 21 21 |
| Hall space group symbol |
P 2ac 2ab |
| Residual factor for all reflections |
0.0356 |
| Residual factor for significantly intense reflections |
0.0341 |
| Weighted residual factors for significantly intense reflections |
0.1067 |
| Weighted residual factors for all reflections included in the refinement |
0.1082 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.077 |
| 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/7242166.html
