Information card for entry 7231273
| Common name |
1,3,5-trifluoro-2,4,6-triiodobenzene; 2-[(1E)-[(pyridin-3-yl)imino]methyl]phenol 1:1 cocrystal |
| Chemical name |
1,3,5-trifluoro-2,4,6-triiodobenzene; 2-[(1E)-[(pyridin-3-yl)imino]methyl]phenol |
| Formula |
C18 H10 F3 I3 N2 O |
| Calculated formula |
C18 H10 F3 I3 N2 O |
| Title of publication |
Halogen-bonded cocrystals of N-salicylidene Schiff bases and iodoperfluorinated benzenes: hydroxyl oxygen as a halogen bond acceptor |
| Authors of publication |
Carletta, Andrea; Zbačnik, Marija; Vitković, Matea; Tumanov, Nikolay; Stilinović, Vladimir; Wouters, Johan; Cinčić, Dominik |
| Journal of publication |
CrystEngComm |
| Year of publication |
2018 |
| Journal volume |
20 |
| Journal issue |
36 |
| Pages of publication |
5332 |
| a |
24.1738 ± 0.0004 Å |
| b |
9.45562 ± 0.00019 Å |
| c |
17.836 ± 0.0003 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
4076.92 ± 0.13 Å3 |
| Cell temperature |
295 ± 2 K |
| Ambient diffraction temperature |
295 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
60 |
| Hermann-Mauguin space group symbol |
P b c n |
| Hall space group symbol |
-P 2n 2ab |
| Residual factor for all reflections |
0.0351 |
| Residual factor for significantly intense reflections |
0.0247 |
| Weighted residual factors for significantly intense reflections |
0.0501 |
| Weighted residual factors for all reflections included in the refinement |
0.0539 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.039 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7231273.html
