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Information card for entry 7119358
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| Coordinates | 7119358.cif |
|---|
| Chemical name | 4,4'-Bipyridine; 3,5-dibromophenol |
|---|---|
| Formula | C11 H8 Br2 N O |
| Calculated formula | C11 H8 Br2 N O |
| Title of publication | Using structural modularity in cocrystals to engineer properties: elasticity |
| Authors of publication | Subhankar; Saha; Gautam; R.; Desiraju |
| Journal of publication | Chem.Commun. |
| Year of publication | 2016 |
| Journal volume | 52 |
| Pages of publication | 7676 |
| a | 4.183 ± 0.003 Å |
| b | 8.769 ± 0.007 Å |
| c | 15.366 ± 0.012 Å |
| α | 94.1 ± 0.03° |
| β | 95.78 ± 0.03° |
| γ | 99.68 ± 0.03° |
| Cell volume | 550.5 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0695 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.1411 |
| Weighted residual factors for all reflections included in the refinement | 0.189 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.15 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 189984 (current) | 2017-01-06 | cif/ Adding structures of 7119356, 7119357, 7119358, 7119359, 7119360 via cif-deposit CGI script. |
7119358.cif |
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Users of the data should acknowledge the original authors of the
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