Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4117159
Preview
Coordinates | 4117159.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | OsO4-diamine complex |
---|---|
Chemical name | Osmium tetraoxide - (R,R)-trans-1,2-bispyrollidinecyclohexane complex |
Formula | C14 H26 N2 O4 Os |
Calculated formula | C14 H26 N2 O4 Os |
SMILES | [Os]1(=O)(=O)(=O)(=O)[N]2([C@@H]3CCCC[C@H]3[N]31CCCC3)CCCC2 |
Title of publication | X-ray Crystal and NMR Structure of a Highly Reactive Bidentate 1,2-Diamine-OsO4 Complex, Formally a 20-Electron Outer Valence Shell Species. Mechanistic Implications for the 1,2-Diamine-Accelerated Dihydroxylation of Olefins by OsO4 |
Authors of publication | E. J. Corey; Sepehr Sarshar; Mihai D. Azimioara; Ronald C. Newbold; Mark C. Noe |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 1996 |
Journal volume | 118 |
Pages of publication | 7851 - 7852 |
a | 10.987 ± 0.003 Å |
b | 11.25 ± 0.002 Å |
c | 12.389 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1531.3 ± 0.6 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0534 |
Residual factor for significantly intense reflections | 0.0441 |
Weighted residual factors for all reflections | 0.1114 |
Weighted residual factors for significantly intense reflections | 0.1041 |
Goodness-of-fit parameter for all reflections | 1.003 |
Goodness-of-fit parameter for significantly intense reflections | 1.012 |
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/4117159.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.