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Information card for entry 3500174
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| Coordinates | 3500174.cif |
|---|
| Chemical name | 2,6-dicyanotoluene |
|---|---|
| Formula | C9 H6 N2 |
| Calculated formula | C9 H6 N2 |
| Title of publication | 2,6-dicyantoluene C9H6N2 |
| Authors of publication | Armel Le Bail |
| Journal of publication | Personal communication to COD |
| Year of publication | 2026 |
| a | 7.6805 ± 0.001 Å |
| b | 9.0273 ± 0.0009 Å |
| c | 6.365 ± 0.0007 Å |
| α | 86.313 ± 0.006° |
| β | 117.341 ± 0.008° |
| γ | 87.916 ± 0.007° |
| Cell volume | 390.12 ± 0.08 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor R(I) for significantly intense reflections | 4.4383 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306893 (current) | 2026-09-20 | cif/ Adding structures of 3500174 via cif-deposit CGI script. |
3500174.cif |
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