Information card for entry 4065171
| Formula |
C37 H34 F12 Fe2 N2 P2 |
| Calculated formula |
C37 H34 F12 Fe2 N2 P2 |
| Title of publication |
Ferrocenyl Diquat Derivatives: Nonlinear Optical Activity, Multiple Redox States, and Unusual Reactivity |
| Authors of publication |
Coe, Benjamin J.; Fielden, John; Foxon, Simon P.; Asselberghs, Inge; Clays, Koen; Van Cleuvenbergen, Stijn; Brunschwig, Bruce S. |
| Journal of publication |
Organometallics |
| Year of publication |
2011 |
| Journal volume |
30 |
| Journal issue |
21 |
| Pages of publication |
5731 |
| a |
17.1942 ± 0.0012 Å |
| b |
20.923 ± 0.002 Å |
| c |
9.6941 ± 0.0008 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
3487.5 ± 0.5 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
41 |
| Hermann-Mauguin space group symbol |
A b a 2 |
| Hall space group symbol |
A 2 -2ab |
| Residual factor for all reflections |
0.0828 |
| Residual factor for significantly intense reflections |
0.0542 |
| Weighted residual factors for significantly intense reflections |
0.1149 |
| Weighted residual factors for all reflections included in the refinement |
0.1216 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.911 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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