Information card for entry 4125261
| Formula |
C42 H56 Cl4 F N5 O2 |
| Calculated formula |
C42 H56 Cl4 F N5 O2 |
| SMILES |
C(=O)(Nc1ccc(cc1)Cl)Nc1ccc(cc1)Cl.[F-].C(=O)(Nc1ccc(cc1)Cl)Nc1ccc(cc1)Cl.[N+](CCCC)(CCCC)(CCCC)CCCC |
| Title of publication |
Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power. |
| Authors of publication |
Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique |
| Journal of publication |
Journal of the American Chemical Society |
| Year of publication |
2016 |
| Journal volume |
138 |
| Journal issue |
40 |
| Pages of publication |
13314 |
| a |
23.8256 ± 0.0002 Å |
| b |
14.9792 ± 0.0001 Å |
| c |
25.1935 ± 0.0002 Å |
| α |
90° |
| β |
107.918 ± 0.0009° |
| γ |
90° |
| Cell volume |
8555.2 ± 0.12 Å3 |
| Cell temperature |
150 K |
| Ambient diffraction temperature |
150 K |
| Number of distinct elements |
6 |
| Space group number |
15 |
| Hermann-Mauguin space group symbol |
C 1 2/c 1 |
| Hall space group symbol |
-C 2yc |
| Residual factor for all reflections |
0.034 |
| Residual factor for significantly intense reflections |
0.0318 |
| Weighted residual factors for all reflections |
0.0843 |
| Weighted residual factors for significantly intense reflections |
0.0822 |
| Weighted residual factors for all reflections included in the refinement |
0.0843 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.9901 |
| Diffraction radiation wavelength |
1.5418 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/4125261.html
