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Information card for entry 2108606
Preview
| Coordinates | 2108606.cif |
|---|---|
| Structure factors | 2108606.hkl |
| Original paper (by DOI) | HTML |
| Formula | C52 H32 N8 O8 S2 Zn2 |
|---|---|
| Calculated formula | C52 H32 N8 O8 S2 Zn2 |
| Title of publication | A new Zn^II^ metallocryptand with unprecedented diflexure helix induced by V-shaped diimidazole building blocks |
| Authors of publication | Shi, Zhi-Qiang; Ji, Ning-Ning; Hu, Hai-Liang |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 3 |
| a | 7.8461 ± 0.0013 Å |
| b | 20.359 ± 0.003 Å |
| c | 29.189 ± 0.005 Å |
| α | 90° |
| β | 94.612 ± 0.003° |
| γ | 90° |
| Cell volume | 4647.5 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0577 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.1133 |
| Weighted residual factors for all reflections included in the refinement | 0.1207 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252091 (current) | 2020-05-16 | cif/ hkl/ Adding structures of 2108606 via cif-deposit CGI script. |
2108606.cif 2108606.hkl |
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Users of the data should acknowledge the original authors of the
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