Information card for entry 7229450
| Formula |
C24 H26 I2 N2 O4 |
| Calculated formula |
C24 H26 I2 N2 O4 |
| Title of publication |
Structures and phase transitions in the neat 4,4'-di-tert-butyl-2,2'-bipyridyl and in its molecular complexes with either brom- or iodanilic acid |
| Authors of publication |
Rok, Magdalena; Szklarz, Przemyslaw; Moskwa, Marcin; Kijewska, Monika; Baran, Jan; Bator, Grazyna; Medycki, Wojciech; Zamponi, Michaela |
| Journal of publication |
CrystEngComm |
| Year of publication |
2017 |
| a |
9.261 ± 0.003 Å |
| b |
11.779 ± 0.003 Å |
| c |
11.997 ± 0.004 Å |
| α |
99.09 ± 0.04° |
| β |
103.48 ± 0.05° |
| γ |
94.58 ± 0.04° |
| Cell volume |
1247.3 ± 0.7 Å3 |
| Cell temperature |
295 ± 2 K |
| Ambient diffraction temperature |
295 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0438 |
| Residual factor for significantly intense reflections |
0.03 |
| Weighted residual factors for significantly intense reflections |
0.0701 |
| Weighted residual factors for all reflections included in the refinement |
0.0778 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.027 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7229450.html
