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Information card for entry 7242166
Preview
| Coordinates | 7242166.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261246 (current) | 2021-01-27 | cif/ Adding structures of 7242166 via cif-deposit CGI script. |
7242166.cif |
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Users of the data should acknowledge the original authors of the
structural data.