Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4088110
Preview
Coordinates | 4088110.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H42 P2 Ru S |
---|---|
Calculated formula | C45 H42 P2 Ru S |
SMILES | [Ru]12345(S[C@@H](C)c6ccccc6)([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[cH]1[c]5(c5ccccc5)[cH]3[cH]2[c]41C |
Title of publication | Synthesis and Resolution of Chiral Ruthenium Complexes Containing the 1-Me-3-PhCp Ligand |
Authors of publication | Hu, Yue; Shaw, Anthony P.; Guan, Hairong; Norton, Jack R.; Sattler, Wesley; Rong, Yi |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 35 |
Journal issue | 1 |
Pages of publication | 39 |
a | 13.8458 ± 0.0016 Å |
b | 13.8458 ± 0.0016 Å |
c | 39.21 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7516.8 ± 1.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 96 |
Hermann-Mauguin space group symbol | P 43 21 2 |
Hall space group symbol | P 4nw 2abw |
Residual factor for all reflections | 0.0463 |
Residual factor for significantly intense reflections | 0.0363 |
Weighted residual factors for significantly intense reflections | 0.08 |
Weighted residual factors for all reflections included in the refinement | 0.0836 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.236 |
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/4088110.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.