Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4071050
Preview
Coordinates | 4071050.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H45 F6 N O2 P3 Ru S2 Sb |
---|---|
Calculated formula | C39 H45 F6 N O2 P3 Ru S2 Sb |
SMILES | C12P(c3ccccc3)(c3ccccc3)=NP(OCC)(OCC)=[S][Ru]345672([c]2([cH]3[cH]4[c]5([cH]6[cH]72)C(C)C)C)[S]=[P]1(c1ccccc1)c1ccccc1.[F-][Sb](F)(F)(F)(F)F |
Title of publication | (η6-Arene)−Ruthenium(II) Complexes Containing Methanide and Methandiide Anions of Ph2P(S)CH2P(NR)Ph2: Unprecedented Insertion of Isocyanide into a Ruthenium−Carbene Bond |
Authors of publication | Cadierno, Victorio; Díez, Josefina; García-Álvarez, Joaquín; Gimeno, José |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 8 |
Pages of publication | 1809 |
a | 11.3019 ± 0.0002 Å |
b | 12.332 ± 0.0002 Å |
c | 16.0514 ± 0.0003 Å |
α | 97.042 ± 0.001° |
β | 95.058 ± 0.001° |
γ | 90.731 ± 0.001° |
Cell volume | 2211.01 ± 0.07 Å3 |
Cell temperature | 297 ± 2 K |
Ambient diffraction temperature | 297 ± 2 K |
Number of distinct elements | 9 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0461 |
Residual factor for significantly intense reflections | 0.0415 |
Weighted residual factors for significantly intense reflections | 0.1164 |
Weighted residual factors for all reflections included in the refinement | 0.1216 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4071050.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.