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Information card for entry 4133991
Preview
| Coordinates | 4133991.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C240 H278 B6 F24 N26 O12 Pd12 S12 |
|---|---|
| Calculated formula | C240 H278 B6 F24 N26 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 | 15.8619 ± 0.0018 Å |
| b | 23.109 ± 0.003 Å |
| c | 23.149 ± 0.003 Å |
| α | 112.829 ± 0.003° |
| β | 103.394 ± 0.003° |
| γ | 101.148 ± 0.004° |
| Cell volume | 7218.4 ± 1.6 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193.43 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.162 |
| Residual factor for significantly intense reflections | 0.145 |
| Weighted residual factors for significantly intense reflections | 0.3419 |
| Weighted residual factors for all reflections included in the refinement | 0.3514 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247127 (current) | 2020-01-24 | cif/ Adding structures of 4133991 via cif-deposit CGI script. |
4133991.cif |
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