Information card for entry 4125266
| Formula |
C29 H48 Br2 F N3 O2 |
| Calculated formula |
C29 H48 Br2 F N3 O2 |
| 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 |
23.8588 ± 0.0006 Å |
| b |
8.1744 ± 0.0002 Å |
| c |
16.1922 ± 0.0004 Å |
| α |
90° |
| β |
96.692 ± 0.003° |
| γ |
90° |
| Cell volume |
3136.47 ± 0.14 Å3 |
| Cell temperature |
150 K |
| Ambient diffraction temperature |
150 K |
| Number of distinct elements |
6 |
| Space group number |
5 |
| Hermann-Mauguin space group symbol |
C 1 2 1 |
| Hall space group symbol |
C 2y |
| Residual factor for all reflections |
0.0359 |
| Residual factor for significantly intense reflections |
0.0344 |
| Weighted residual factors for all reflections |
0.0893 |
| Weighted residual factors for significantly intense reflections |
0.0882 |
| Weighted residual factors for all reflections included in the refinement |
0.0893 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.9995 |
| Diffraction radiation wavelength |
1.5418 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4125266.html
