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Information card for entry 1550138
Preview
| Coordinates | 1550138.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ZnSDCTzTz |
|---|---|
| Formula | C64 H36 N8 O8 S4 Se2 Zn2 |
| Calculated formula | C64 H36 N8 O8 S4 Se2 Zn2 |
| Title of publication | Influence of Structure-Activity Relationships on Through-Space Intervalence Charge Transfer in Metal-Organic Frameworks with Cofacial Redox-Active Units |
| Authors of publication | Ding, Bowen; Hua, Carol; Kepert, Cameron J.; D'Alessandro, Deanna Michelle |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 25.811 ± 0.005 Å |
| b | 18.453 ± 0.004 Å |
| c | 15.943 ± 0.003 Å |
| α | 90° |
| β | 90.91 ± 0.03° |
| γ | 90° |
| Cell volume | 7593 ± 3 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0963 |
| Residual factor for significantly intense reflections | 0.0589 |
| Weighted residual factors for significantly intense reflections | 0.1427 |
| Weighted residual factors for all reflections included in the refinement | 0.1572 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.958 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211695 (current) | 2018-10-30 | cif/ Adding structures of 1550137, 1550138 via cif-deposit CGI script. |
1550138.cif |
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