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Information card for entry 4133994
Preview
| Coordinates | 4133994.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C260 H320 B6 F24 N24 O12 Pd12 S12 |
|---|---|
| Calculated formula | C260 H320 B6 F24 N24 O12 Pd12 S12 |
| Title of publication | Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units. |
| Authors of publication | Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 18.852 ± 0.003 Å |
| b | 31.236 ± 0.004 Å |
| c | 25.397 ± 0.004 Å |
| α | 90° |
| β | 107.462 ± 0.005° |
| γ | 90° |
| Cell volume | 14266 ± 4 Å3 |
| Cell temperature | 167 ± 2 K |
| Ambient diffraction temperature | 166.94 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0726 |
| Residual factor for significantly intense reflections | 0.0698 |
| Weighted residual factors for significantly intense reflections | 0.191 |
| Weighted residual factors for all reflections included in the refinement | 0.1933 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247130 (current) | 2020-01-24 | cif/ Adding structures of 4133994 via cif-deposit CGI script. |
4133994.cif |
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