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Information card for entry 1550137
Preview
| Coordinates | 1550137.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | CdSDCTzTz |
|---|---|
| Formula | C128 H72 Cd4 N16 O16 S8 Se4 |
| Calculated formula | C127 H69 Cd4 N16 O16 S8 Se4 |
| 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 | 15.868 ± 0.003 Å |
| b | 19.123 ± 0.004 Å |
| c | 26.124 ± 0.005 Å |
| α | 82.02 ± 0.03° |
| β | 87.25 ± 0.03° |
| γ | 89.73 ± 0.03° |
| Cell volume | 7841 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1524 |
| Residual factor for significantly intense reflections | 0.1233 |
| Weighted residual factors for significantly intense reflections | 0.3461 |
| Weighted residual factors for all reflections included in the refinement | 0.3616 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.335 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211695 (current) | 2018-10-30 | cif/ Adding structures of 1550137, 1550138 via cif-deposit CGI script. |
1550137.cif |
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Users of the data should acknowledge the original authors of the
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