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Information card for entry 4129726
Preview
| Coordinates | 4129726.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C108 H76 F24 N20 O20 S8 Zn2 |
|---|---|
| Calculated formula | C102 H72 F6 N17 O8 S2 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 | 10.0543 ± 0.0015 Å |
| b | 14.692 ± 0.002 Å |
| c | 22.93 ± 0.003 Å |
| α | 102.034 ± 0.007° |
| β | 99.129 ± 0.006° |
| γ | 102.863 ± 0.006° |
| Cell volume | 3154 ± 0.8 Å3 |
| Cell temperature | 184 ± 2 K |
| Ambient diffraction temperature | 184 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1004 |
| Residual factor for significantly intense reflections | 0.0896 |
| Weighted residual factors for significantly intense reflections | 0.2682 |
| Weighted residual factors for all reflections included in the refinement | 0.2842 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.213 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240394 (current) | 2019-11-25 | cif/ Adding structures of 4129726 via cif-deposit CGI script. |
4129726.cif |
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Users of the data should acknowledge the original authors of the
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