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Information card for entry 2243208
Preview
| Coordinates | 2243208.cif |
|---|---|
| Structure factors | 2243208.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,4-Bis([2,2':6',2''-terpyridin]-4'-yl)benzene |
|---|---|
| Formula | C36 H24 N6 |
| Calculated formula | C36 H24 N6 |
| SMILES | c1(cc(cc(n1)c1ncccc1)c1ccc(cc1)c1cc(c2ccccn2)nc(c1)c1ccccn1)c1ccccn1 |
| Title of publication | The crystal structure of the triclinic polymorph of 1,4-bis([2,2':6',2''-terpyridin]-4'-yl)benzene |
| Authors of publication | Sedykh, Alexander E.; Kurth, Dirk G.; Müller-Buschbaum, Klaus |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 12 |
| Pages of publication | 1947 - 1951 |
| a | 7.312 ± 0.002 Å |
| b | 8.847 ± 0.003 Å |
| c | 11.039 ± 0.003 Å |
| α | 100.05 ± 0.007° |
| β | 102.247 ± 0.006° |
| γ | 104.314 ± 0.007° |
| Cell volume | 656.5 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 for all reflections | 0.083 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.1188 |
| Weighted residual factors for all reflections included in the refinement | 0.1334 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244827 (current) | 2019-11-30 | cif/ hkl/ Adding structures of 2243208 via cif-deposit CGI script. |
2243208.cif 2243208.hkl |
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Users of the data should acknowledge the original authors of the
structural data.