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Information card for entry 7120721
Preview
| Coordinates | 7120721.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Cubx_phcnssn_298k |
|---|---|
| Formula | C34 H40 Cl4 Cu2 N8 |
| Calculated formula | C34 H40 Cl4 Cu2 N8 |
| Title of publication | Inclusion of a dithiadiazolyl radical in a seemingly non-porous solid |
| Authors of publication | Nikolayenko, Varvara I.; Barbour, Leonard J.; Arauzo, Ana; Campo, Javier; Rawson, Jeremy M.; Haynes, Delia A. |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 8.3927 ± 0.0005 Å |
| b | 10.8318 ± 0.0006 Å |
| c | 22.4675 ± 0.0012 Å |
| α | 90° |
| β | 99.103 ± 0.002° |
| γ | 90° |
| Cell volume | 2016.8 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.239 |
| Residual factor for significantly intense reflections | 0.2085 |
| Weighted residual factors for significantly intense reflections | 0.3781 |
| Weighted residual factors for all reflections included in the refinement | 0.3906 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.308 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7120721.cif |
| 201535 | 2017-09-30 | cif/ Adding structures of 7120719, 7120720, 7120721, 7120722 via cif-deposit CGI script. |
7120721.cif |
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Users of the data should acknowledge the original authors of the
structural data.