Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4315434
Preview
Coordinates | 4315434.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H16 F3 N6 O6 Re S |
---|---|
Calculated formula | C24 H16 F3 N6 O6 Re S |
SMILES | [Re]1([n]2ccccc2c2[n]1cccc2)([n]1ccc(N=Nc2ccncc2)cc1)(C#[O])(C#[O])C#[O].S(=O)(=O)([O-])C(F)(F)F |
Title of publication | Electron-, Proton-, and Photon-Induced Spectroscopic Changes in Chromophore-Quencher Tricarbonyl(2,2'-Bipyridine)rhenium(I) Complexes with 4,4'-Azobis(pyridine) |
Authors of publication | Gaston Pourrieux; Florencia Fagalde; Isabel Romero; Xavier Fontrodona; Teodor Parella; Néstor E. Katz |
Journal of publication | Inorganic Chemistry |
Year of publication | 2010 |
Journal volume | 49 |
Pages of publication | 4084 - 4091 |
a | 23.937 ± 0.011 Å |
b | 20.144 ± 0.01 Å |
c | 13.886 ± 0.006 Å |
α | 90° |
β | 124.892 ± 0.007° |
γ | 90° |
Cell volume | 5492 ± 4 Å3 |
Cell temperature | 300 ± 2 K |
Ambient diffraction temperature | 300 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0357 |
Residual factor for significantly intense reflections | 0.0266 |
Weighted residual factors for significantly intense reflections | 0.0662 |
Weighted residual factors for all reflections included in the refinement | 0.0698 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
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/4315434.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.