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Information card for entry 1574563
Preview
| Coordinates | 1574563.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49.75 H61.3 Cl3 K N4 O18.15 |
|---|---|
| Calculated formula | C49.75 H61.3 Cl3 K N4 O18.15 |
| Title of publication | Crystal structures of sandwich-type potassium cation complexes formed from benzo-15-crown-5-based ligand containing a chloromaleimide moiety |
| Authors of publication | Hirayama, Yuto; Ito, Akitaka; Ochi, Rika |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| Journal volume | 27 |
| Journal issue | 20 |
| Pages of publication | 3214 - 3218 |
| a | 12.0536 ± 0.0004 Å |
| b | 14.4733 ± 0.0005 Å |
| c | 17.464 ± 0.0005 Å |
| α | 90.685 ± 0.002° |
| β | 105.563 ± 0.002° |
| γ | 108.209 ± 0.003° |
| Cell volume | 2772.69 ± 0.17 Å3 |
| Cell temperature | 113.15 K |
| Ambient diffraction temperature | 113.15 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0941 |
| Residual factor for significantly intense reflections | 0.0689 |
| Weighted residual factors for significantly intense reflections | 0.1897 |
| Weighted residual factors for all reflections included in the refinement | 0.203 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300718 (current) | 2025-07-06 | cif/ Updating files of 1574562, 1574563, 1574564 Original log message: Adding full bibliography for 1574562--1574564.cif. |
1574563.cif |
| 299478 | 2025-05-02 | cif/ Adding structures of 1574562, 1574563, 1574564 via cif-deposit CGI script. |
1574563.cif |
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Users of the data should acknowledge the original authors of the
structural data.