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Information card for entry 4129727
Preview
| Coordinates | 4129727.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C270 H174 B F46 N33 O28 S14 Zn4 |
|---|---|
| Calculated formula | C259.5 H174 B F14.5 N27.75 O7 S3.5 Zn4 |
| 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 | 66.845 ± 0.004 Å |
| b | 66.845 ± 0.004 Å |
| c | 36.369 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 140734 ± 17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1758 |
| Residual factor for significantly intense reflections | 0.1335 |
| Weighted residual factors for significantly intense reflections | 0.3482 |
| Weighted residual factors for all reflections included in the refinement | 0.3801 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.221 |
| Diffraction radiation wavelength | 0.6889 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240395 (current) | 2019-11-25 | cif/ Adding structures of 4129727 via cif-deposit CGI script. |
4129727.cif |
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Users of the data should acknowledge the original authors of the
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