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Information card for entry 7120687
Preview
| Coordinates | 7120687.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 6 |
|---|---|
| Formula | C35 H42 Cl6 Cu2 N8 |
| Calculated formula | C35 H42 Cl6 Cu2 N8 |
| Title of publication | Threading the needle: guest transport in a versatile 0D porous molecular crystal |
| Authors of publication | Nikolayenko, Varvara I.; Heyns, Anneli; Barbour, Len |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 8.3498 ± 0.0011 Å |
| b | 10.6457 ± 0.0014 Å |
| c | 22.378 ± 0.003 Å |
| α | 90° |
| β | 99.387 ± 0.002° |
| γ | 90° |
| Cell volume | 1962.5 ± 0.5 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 | 0.0638 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.0984 |
| Weighted residual factors for all reflections included in the refinement | 0.1118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| 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. |
7120687.cif |
| 201152 | 2017-09-22 | cif/ Adding structures of 7120681, 7120682, 7120683, 7120684, 7120685, 7120686, 7120687, 7120688, 7120689, 7120690, 7120691, 7120692 via cif-deposit CGI script. |
7120687.cif |
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Users of the data should acknowledge the original authors of the
structural data.