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Information card for entry 7120418
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| Coordinates | 7120418.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1-ethyl-3-methylimdazolium 4,5-dicyanoimidazolate 4,5-dicyanoimidazole |
|---|---|
| Formula | C16 H14 N10 |
| Calculated formula | C16 H13.74 N10 |
| Title of publication | Formation of Ionic Co-Crystals of Amphoteric Azoles Directed by the Ionic Liquid Co-Former 1-Ethyl-3-Methylimidazolium Acetate |
| Authors of publication | Titi, Hatem M.; Kelley, Steven Paul; Easton, Max; Emerson, Stephen D.; Rogers, Robin D. |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 13.409 ± 0.002 Å |
| b | 7.1954 ± 0.0012 Å |
| c | 36.229 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3495.5 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0717 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.117 |
| Weighted residual factors for all reflections included in the refinement | 0.129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198653 (current) | 2017-07-12 | cif/ Adding structures of 7120416, 7120417, 7120418, 7120419 via cif-deposit CGI script. |
7120418.cif |
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