Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7231039
Preview
Coordinates | 7231039.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H21 P S4 |
---|---|
Calculated formula | C21 H21 P S4 |
Title of publication | Conductance of ‘bare-bones’ tripodal molecular wires |
Authors of publication | Davidson, Ross J.; Milan, David C.; Al-Owaedi, Oday A.; Ismael, Ali K.; Nichols, Richard J.; Higgins, Simon J.; Lambert, Colin J.; Yufit, Dmitry S.; Beeby, Andrew |
Journal of publication | RSC Advances |
Year of publication | 2018 |
Journal volume | 8 |
Journal issue | 42 |
Pages of publication | 23585 |
a | 10.7372 ± 0.0007 Å |
b | 19.6819 ± 0.0013 Å |
c | 10.9938 ± 0.0007 Å |
α | 90° |
β | 114.163 ± 0.002° |
γ | 90° |
Cell volume | 2119.7 ± 0.2 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0431 |
Residual factor for significantly intense reflections | 0.0337 |
Weighted residual factors for significantly intense reflections | 0.0809 |
Weighted residual factors for all reflections included in the refinement | 0.0853 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7231039.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.