Information card for entry 4349448
| Formula |
C60 H76 Co F12 N12 P2 |
| Calculated formula |
C60 H76 Co F12 N12 P2 |
| Title of publication |
Synthesis, Characterization, and DFT Analysis of Bis-Terpyridyl-Based Molecular Cobalt Complexes. |
| Authors of publication |
Aroua, Safwan; Todorova, Tanya K.; Hommes, Paul; Chamoreau, Lise-Marie; Reissig, Hans-Ulrich; Mougel, Victor; Fontecave, Marc |
| Journal of publication |
Inorganic chemistry |
| Year of publication |
2017 |
| Journal volume |
56 |
| Journal issue |
10 |
| Pages of publication |
5930 - 5940 |
| a |
11.2802 ± 0.0004 Å |
| b |
11.4333 ± 0.0004 Å |
| c |
25.4651 ± 0.001 Å |
| α |
83.481 ± 0.002° |
| β |
79.146 ± 0.002° |
| γ |
88.677 ± 0.002° |
| Cell volume |
3204.6 ± 0.2 Å3 |
| Cell temperature |
200 ± 2 K |
| Ambient diffraction temperature |
200 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0927 |
| Residual factor for significantly intense reflections |
0.0638 |
| Weighted residual factors for significantly intense reflections |
0.1787 |
| Weighted residual factors for all reflections included in the refinement |
0.2026 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.934 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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