Information card for entry 4085872
| Formula |
C26 H27 F12 Fe N9 P2 |
| Calculated formula |
C26 H27 F12 Fe N9 P2 |
| Title of publication |
Iron Complexes of a Macrocyclic N-Heterocyclic Carbene/Pyridine Hybrid Ligand |
| Authors of publication |
Klawitter, Iris; Anneser, Markus R.; Dechert, Sebastian; Meyer, Steffen; Demeshko, Serhiy; Haslinger, Stefan; Pöthig, Alexander; Kühn, Fritz E.; Meyer, Franc |
| Journal of publication |
Organometallics |
| Year of publication |
2015 |
| Journal volume |
34 |
| Journal issue |
12 |
| Pages of publication |
2819 |
| a |
10.6199 ± 0.0007 Å |
| b |
10.9083 ± 0.0007 Å |
| c |
15.8956 ± 0.001 Å |
| α |
101.146 ± 0.005° |
| β |
98.988 ± 0.005° |
| γ |
115.111 ± 0.004° |
| Cell volume |
1576 ± 0.2 Å3 |
| Cell temperature |
133 ± 2 K |
| Ambient diffraction temperature |
133 ± 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 |
0.0891 |
| Residual factor for significantly intense reflections |
0.0609 |
| Weighted residual factors for significantly intense reflections |
0.1409 |
| Weighted residual factors for all reflections included in the refinement |
0.1534 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.035 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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