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Information card for entry 1571362
Preview
| Coordinates | 1571362.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C157 H222 N66 O60.5 Pd8 S4 |
|---|---|
| Calculated formula | C157 H222 N66 O60.5 Pd8 S4 |
| Title of publication | A water-soluble Pd<sub>4</sub> molecular tweezer for selective encapsulation of isomeric quinones and their recyclable extraction. |
| Authors of publication | Prajapati, Dharmraj; Bhandari, Pallab; Zangrando, Ennio; Mukherjee, Partha Sarathi |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 10 |
| Pages of publication | 3616 - 3624 |
| a | 18.719 ± 0.004 Å |
| b | 21.435 ± 0.004 Å |
| c | 30.531 ± 0.006 Å |
| α | 72.94 ± 0.03° |
| β | 89.08 ± 0.03° |
| γ | 88.27 ± 0.03° |
| Cell volume | 11706 ± 4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0607 |
| Residual factor for significantly intense reflections | 0.0571 |
| Weighted residual factors for significantly intense reflections | 0.175 |
| Weighted residual factors for all reflections included in the refinement | 0.1789 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.7 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290772 (current) | 2024-04-04 | cif/ Adding structures of 1571362 via cif-deposit CGI script. |
1571362.cif |
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Users of the data should acknowledge the original authors of the
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