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Information card for entry 1574092
Preview
| Coordinates | 1574092.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C138 H96 N12 Pd3 |
|---|---|
| Calculated formula | C138 H96 N12 Pd3 |
| Title of publication | Configurational Control of Low-Symmetry Heteroleptic Metal-Organic Cages with Asymmetric Ligands |
| Authors of publication | Yu, Hao; Guo, Ziteng; Tang, Jie; Han, Ningxu; Shi, Junjuan; Li, Meng; Zhang, Houyu; Wang, Ming |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 24.626 ± 0.002 Å |
| b | 24.7677 ± 0.0019 Å |
| c | 25.97 ± 0.002 Å |
| α | 69.586 ± 0.002° |
| β | 75.581 ± 0.002° |
| γ | 63.458 ± 0.002° |
| Cell volume | 13198.3 ± 1.8 Å3 |
| Cell temperature | 273.15 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1559 |
| Residual factor for significantly intense reflections | 0.1268 |
| Weighted residual factors for significantly intense reflections | 0.374 |
| Weighted residual factors for all reflections included in the refinement | 0.4083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.453 |
| Diffraction radiation wavelength | 0.67016 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298338 (current) | 2025-03-08 | cif/ Adding structures of 1574092, 1574093, 1574094 via cif-deposit CGI script. |
1574092.cif |
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Users of the data should acknowledge the original authors of the
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