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Information card for entry 4128092
Preview
| Coordinates | 4128092.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C110 H106 F12 N18 O22 S4 Zn2 |
|---|---|
| Calculated formula | C110 H106 F12 N18 O22 S4 Zn2 |
| Title of publication | Hydrogen-Bond-Assisted Symmetry Breaking in a Network of Chiral Metal-Organic Assemblies. |
| Authors of publication | Rizzuto, Felix J.; Pröhm, Patrick; Plajer, Alex J.; Greenfield, Jake L.; Nitschke, Jonathan R. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 4 |
| Pages of publication | 1707 - 1715 |
| a | 17.046 ± 0.003 Å |
| b | 16.504 ± 0.003 Å |
| c | 21.373 ± 0.004 Å |
| α | 90° |
| β | 91.51 ± 0.03° |
| γ | 90° |
| Cell volume | 6010.7 ± 1.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0902 |
| Residual factor for significantly intense reflections | 0.086 |
| Weighted residual factors for significantly intense reflections | 0.2493 |
| Weighted residual factors for all reflections included in the refinement | 0.256 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.6889 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 221223 (current) | 2019-11-03 | cif/ Adding structures of 4128092 via cif-deposit CGI script. |
4128092.cif |
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