Information card for entry 7228765
| Chemical name |
4-Ferrocenylethynyl-[2, 2]paracyclophane 1,4-bis(iodoethynyl)benzene |
| Formula |
C38 H28 Fe I2 |
| Calculated formula |
C38 H28 Fe I2 |
| Title of publication |
Self-assembly of conducting cocrystals via iodine—-π(Cp) interactions |
| Authors of publication |
Torubaev, Yury; Lyssenko, Konstantin A.; Barzilovich, Petro Yu.; Mobin, Shaikh M.; Singh, Ajeet; Saratov, George A.; Mathur, Pradeep |
| Journal of publication |
CrystEngComm |
| Year of publication |
2017 |
| a |
9.911 ± 0.002 Å |
| b |
12.556 ± 0.003 Å |
| c |
14.111 ± 0.003 Å |
| α |
112.72 ± 0.03° |
| β |
92.88 ± 0.03° |
| γ |
104.63 ± 0.03° |
| Cell volume |
1545.6 ± 0.8 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 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 |
0.1363 |
| Residual factor for significantly intense reflections |
0.0717 |
| Weighted residual factors for significantly intense reflections |
0.1712 |
| Weighted residual factors for all reflections included in the refinement |
0.2064 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.082 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7228765.html
