Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4079653
Preview
Coordinates | 4079653.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H42 Cl N3 Ru |
---|---|
Calculated formula | C27 H42 Cl N3 Ru |
SMILES | [c]12([cH]3[cH]4[c]5([cH]6[cH]1[Ru]123456(N(C(C)C)C(NC(C)C)=[N]1c1ccc(cc1)C(C)(C)C)Cl)C)C(C)C |
Title of publication | Ruthenium(II) Arene Complexes with Asymmetrical Guanidinate Ligands: Synthesis, Characterization, and Application in the Base-Free Catalytic Isomerization of Allylic Alcohols |
Authors of publication | Garc\?ía-Álvarez, Rocío; Suárez, Francisco J.; D\?íez, Josefina; Crochet, Pascale; Cadierno, Victorio; Antiñolo, Antonio; Fernández-Galán, Rafael; Carrillo-Hermosilla, Fernando |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 23 |
Pages of publication | 8301 |
a | 34.9253 ± 0.0009 Å |
b | 13.8742 ± 0.0004 Å |
c | 11.7132 ± 0.0003 Å |
α | 90° |
β | 107.197 ± 0.003° |
γ | 90° |
Cell volume | 5422 ± 0.3 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0472 |
Residual factor for significantly intense reflections | 0.0408 |
Weighted residual factors for significantly intense reflections | 0.1113 |
Weighted residual factors for all reflections included in the refinement | 0.1183 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 1.5418 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/4079653.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.