Information card for entry 7229449
| 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 |
9.8323 ± 0.0005 Å |
| b |
11.7934 ± 0.0006 Å |
| c |
12.0531 ± 0.0011 Å |
| α |
80.595 ± 0.006° |
| β |
66.706 ± 0.006° |
| γ |
79.529 ± 0.004° |
| Cell volume |
1255.83 ± 0.16 Å3 |
| Cell temperature |
345 ± 2 K |
| Ambient diffraction temperature |
345 ± 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 |
0.0699 |
| Residual factor for significantly intense reflections |
0.0353 |
| Weighted residual factors for significantly intense reflections |
0.0785 |
| Weighted residual factors for all reflections included in the refinement |
0.0951 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.013 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/7229449.html
