Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7051060
Preview
Coordinates | 7051060.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H45 Cl2 F0 N7 Na0 O14 P0 Ru |
---|---|
Calculated formula | C44 H45 Cl2 N7 O14 Ru |
SMILES | [Ru]123([n]4c(cccc4)c4[n]1cccc4)([n]1c(cccc1)c1[n]2cccc1)[n]1c2c(ccc1)c1OCCOCCOCCOCCOCCOc1c1c2[n]3ccc1.N#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | New hybrid ditopic ligands containing fused phenanthroline and crown ether units |
Authors of publication | Rice, Craig R.; Guerrero, Ana; Bell, Zöe R.; Paul, Rowena L.; Motson, Graham R.; Jeffery, John C.; Ward, Michael D. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2001 |
Journal volume | 25 |
Journal issue | 2 |
Pages of publication | 185 |
a | 12.748 ± 0.004 Å |
b | 13.181 ± 0.004 Å |
c | 13.847 ± 0.004 Å |
α | 90 ± 0.03° |
β | 107.04 ± 0.03° |
γ | 90 ± 0.02° |
Cell volume | 2224.6 ± 1.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 9 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0795 |
Residual factor for significantly intense reflections | 0.055 |
Weighted residual factors for significantly intense reflections | 0.1326 |
Weighted residual factors for all reflections included in the refinement | 0.1469 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
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/7051060.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.