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Information card for entry 4129729
Preview
| Coordinates | 4129729.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C108 H88 As4 F24 N16 Zn2 |
|---|---|
| Calculated formula | C108 H88 As4 F24 N16 Zn2 |
| Title of publication | Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures. |
| Authors of publication | Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 45 |
| Pages of publication | 14502 - 14512 |
| a | 10.267 ± 0.0003 Å |
| b | 28.1379 ± 0.0007 Å |
| c | 18.4589 ± 0.0005 Å |
| α | 90° |
| β | 101.357 ± 0.001° |
| γ | 90° |
| Cell volume | 5228.2 ± 0.2 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.088 |
| Residual factor for significantly intense reflections | 0.0577 |
| Weighted residual factors for significantly intense reflections | 0.1423 |
| Weighted residual factors for all reflections included in the refinement | 0.1592 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| 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. |
4129729.cif |
| 240397 | 2019-11-25 | cif/ Adding structures of 4129729 via cif-deposit CGI script. |
4129729.cif |
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Users of the data should acknowledge the original authors of the
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