Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7711782
Preview
Coordinates | 7711782.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H54 Fe I N7 P2 Ru S2 |
---|---|
Calculated formula | C46 H54 Fe I N7 P2 Ru S2 |
Title of publication | Influence of the electronic effect of an ancillary ligand on MMCT and LMCT in localized cyanide-bridged complexes containing non-innocent ligands. |
Authors of publication | He, Yong; Huang, Ying-Ying; Fu, Jin-Hui; Liu, Yang; Wu, Xin-Tao; Sheng, Tian-Lu |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2022 |
a | 11.218 ± 0.0003 Å |
b | 19.4971 ± 0.0004 Å |
c | 22.9165 ± 0.0005 Å |
α | 90° |
β | 99.516 ± 0.002° |
γ | 90° |
Cell volume | 4943.3 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 8 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0242 |
Residual factor for significantly intense reflections | 0.0226 |
Weighted residual factors for significantly intense reflections | 0.0549 |
Weighted residual factors for all reflections included in the refinement | 0.0554 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
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/7711782.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.