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Information card for entry 7247888
Preview
| Coordinates | 7247888.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H18 Cu N4 O9 |
|---|---|
| Calculated formula | C20 H12 Cu N4 O9 |
| Title of publication | Highly efficient iodine uptake and iodate selective probe in a 3D honeycomb-like copper–organic framework based on in situ ligand transformation |
| Authors of publication | Dai, Wen; Zhang, Chuanming; Yang, Xiaoang; Li, Lincai |
| Journal of publication | CrystEngComm |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 6 |
| Pages of publication | 773 - 782 |
| a | 18.8181 ± 0.0008 Å |
| b | 18.8181 ± 0.0008 Å |
| c | 23.6351 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 7248.4 ± 0.5 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 179 |
| Hermann-Mauguin space group symbol | P 65 2 2 |
| Hall space group symbol | P 65 2 (0 0 1) |
| Residual factor for all reflections | 0.0649 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1432 |
| Weighted residual factors for all reflections included in the refinement | 0.1527 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290144 (current) | 2024-03-04 | cif/ Updating files of 7247888 Original log message: Adding full bibliography for 7247888.cif. |
7247888.cif |
| 288489 | 2023-12-22 | cif/ Adding structures of 7247888 via cif-deposit CGI script. |
7247888.cif |
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Users of the data should acknowledge the original authors of the
structural data.