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Information card for entry 4125482
Preview
| Coordinates | 4125482.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C324 H216 N40 Ru6 |
|---|---|
| Calculated formula | C324 H216 N40 Ru6 |
| Title of publication | Terpyridine-Based, Flexible Tripods: From a Highly Symmetric Nanosphere to Temperature-Dependent, Irreversible, 3D Isomeric Macromolecular Nanocages. |
| Authors of publication | Chakraborty, Sourav; Hong, Wei; Endres, Kevin J.; Xie, Ting-Zheng; Wojtas, Lukasz; Moorefield, Charles N.; Wesdemiotis, Chrys; Newkome, George R. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 8 |
| Pages of publication | 3012 - 3020 |
| a | 30.4451 ± 0.0013 Å |
| b | 30.4451 ± 0.0013 Å |
| c | 96.083 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 77128 ± 6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.01 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1896 |
| Residual factor for significantly intense reflections | 0.136 |
| Weighted residual factors for significantly intense reflections | 0.4004 |
| Weighted residual factors for all reflections included in the refinement | 0.4491 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.886 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4125482.cif |
| 193480 | 2017-03-04 | cif/ Updating files of 4125482 Original log message: Adding full bibliography for 4125482.cif. |
4125482.cif |
| 192550 | 2017-03-01 | cif/ Adding structures of 4125482 via cif-deposit CGI script. |
4125482.cif |
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Users of the data should acknowledge the original authors of the
structural data.