Information card for entry 4076500
| Formula |
C78.5 H66 Fe6 S2 |
| Calculated formula |
C78.5 H66 Fe6 S2 |
| Title of publication |
Atropisomeric 3,3′,4,4′,5,5′-Hexaferrocenyl-2,2′-bithiophene: Synthesis, Solid-State Structure, and Electrochemistry |
| Authors of publication |
Speck, J. Matthäus; Schaarschmidt, Dieter; Lang, Heinrich |
| Journal of publication |
Organometallics |
| Year of publication |
2012 |
| Journal volume |
31 |
| Journal issue |
5 |
| Pages of publication |
1975 |
| a |
13.1164 ± 0.0012 Å |
| b |
14.1721 ± 0.0012 Å |
| c |
17.7987 ± 0.0014 Å |
| α |
77.124 ± 0.007° |
| β |
82.581 ± 0.007° |
| γ |
68.966 ± 0.008° |
| Cell volume |
3006 ± 0.5 Å3 |
| Cell temperature |
110 K |
| Ambient diffraction temperature |
110 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0636 |
| Residual factor for significantly intense reflections |
0.0375 |
| Weighted residual factors for significantly intense reflections |
0.0773 |
| Weighted residual factors for all reflections included in the refinement |
0.0807 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.868 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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