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Information card for entry 4349831
Preview
| Coordinates | 4349831.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C114 H80 Mg3 N2 O18 |
|---|---|
| Calculated formula | C114 H80 Mg3 N2 O18 |
| Title of publication | A 2D porous pentiptycene-based MOF for efficient detection of Ba2+ and selective adsorption of dyes from water |
| Authors of publication | Zhang, Minghui; Qi, Ziqiang; Feng, Yang; Guo, Bingbing; Hao, Yujian; Xu, Zhuo; Zhang, Liangliang; Sun, Daofeng |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | 6 |
| Pages of publication | 1314 |
| a | 11.8132 ± 0.0002 Å |
| b | 34.5225 ± 0.0005 Å |
| c | 14.9681 ± 0.0003 Å |
| α | 90° |
| β | 101.544 ± 0.0018° |
| γ | 90° |
| Cell volume | 5980.82 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0866 |
| Residual factor for significantly intense reflections | 0.0759 |
| Weighted residual factors for significantly intense reflections | 0.2256 |
| Weighted residual factors for all reflections included in the refinement | 0.2379 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236880 (current) | 2019-11-24 | cif/ Adding structures of 4349831 via cif-deposit CGI script. |
4349831.cif |
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