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Information card for entry 1544042
Preview
| Coordinates | 1544042.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H33 Ca2 N3 O12 S2 |
|---|---|
| Calculated formula | C24 H33 Ca2 N3 O12 S2 |
| Title of publication | A regenerative metal‒organic framework for reversible uptake of Cd(ii): from effective adsorption to in situ detection |
| Authors of publication | Xue, Hui; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lv, Guangxun; Liang, Linfeng; Liu, Luyao; Hong, Maochun |
| Journal of publication | Chem. Sci. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 9 |
| Pages of publication | 5983 |
| a | 22.6505 ± 0.0006 Å |
| b | 11.2352 ± 0.0003 Å |
| c | 12.7961 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3256.39 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0431 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.0952 |
| Weighted residual factors for all reflections included in the refinement | 0.0967 |
| 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 |
|---|---|---|---|
| 186283 (current) | 2016-09-08 | cif/ Adding structures of 1544042, 1544043 via cif-deposit CGI script. |
1544042.cif |
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