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Information card for entry 2107279
Preview
| Coordinates | 2107279.cif |
|---|---|
| Structure factors | 2107279.hkl |
| Original IUCr paper | HTML |
| Formula | C24 H16 N4 |
|---|---|
| Calculated formula | C24 H16 N4 |
| Title of publication | A temperature-induced order‒disorder phase transition in a 4-substituted 4,2':6',4''-terpyridine |
| Authors of publication | Granifo, Juan; Westermeyer, Marleen; Riquelme, Maricel; Gaviño, Rubén; Suárez, Sebastián; Halac, Emilia B.; Baggio, Ricardo |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | 805 - 813 |
| a | 12.3277 ± 0.0003 Å |
| b | 10.5211 ± 0.0002 Å |
| c | 14.9441 ± 0.0004 Å |
| α | 90° |
| β | 107.638 ± 0.002° |
| γ | 90° |
| Cell volume | 1847.15 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0685 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.12 |
| Weighted residual factors for all reflections included in the refinement | 0.1344 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181883 (current) | 2016-04-06 | hkl/2/10/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/10/72. |
2107279.cif 2107279.hkl |
| 170699 | 2015-12-04 | cif/ hkl/ Adding structures of 2107275, 2107276, 2107277, 2107278, 2107279 via cif-deposit CGI script. |
2107279.cif 2107279.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.