Information card for entry 2107279
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 |
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https://www.crystallography.net/2107279.html