Information card for entry 1564071
| Formula |
C78 H50 F24 N8 Ru2 S2 |
| Calculated formula |
C78 H50 F24 N8 Ru2 S2 |
| Title of publication |
Control of Dominant Conduction Orbitals by Peripheral Substituents in Paddle-Wheel Diruthenium Alkynyl Molecular Junctions |
| Authors of publication |
Ogawa, Shiori; Chattopadhyay, Swarup; Tanaka, Yuya; Ohto, Tatsuhiko; Tada, Tomofumi; Tada, Hirokazu; Fujii, Shintaro; Nishino, Tomoaki; Akita, Munetaka |
| Journal of publication |
Chemical Science |
| Year of publication |
2021 |
| a |
12.3318 ± 0.0007 Å |
| b |
13.7567 ± 0.0008 Å |
| c |
15.6187 ± 0.0009 Å |
| α |
68.497 ± 0.005° |
| β |
86.771 ± 0.004° |
| γ |
67.279 ± 0.005° |
| Cell volume |
2262.7 ± 0.3 Å3 |
| Cell temperature |
90 ± 2 K |
| Ambient diffraction temperature |
90 ± 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 |
0.1125 |
| Residual factor for significantly intense reflections |
0.1068 |
| Weighted residual factors for significantly intense reflections |
0.2854 |
| Weighted residual factors for all reflections included in the refinement |
0.294 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.326 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/1564071.html
