Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4083504
Preview
Coordinates | 4083504.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H44 Cl2 Si2 Zr |
---|---|
Calculated formula | C27 H44 Cl2 Si2 Zr |
SMILES | [Zr]123456789(Cl)(Cl)[c]%10([cH]4[c]43[Si]([c]38[c]7([Si]([c]24[cH]1%10)(C)C)[c]6([cH]5[c]93C(C)C)C(C)C)(C)C)[C@@H](CC)C(C)(C)C |
Title of publication | Catalyst Site Epimerization during the Kinetic Resolution of Chiral α-Olefins by Polymerization |
Authors of publication | Min, Endy Y.-J.; Byers, Jeffery A.; Bercaw, John E. |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 10 |
Pages of publication | 2179 |
a | 8.7249 ± 0.0003 Å |
b | 11.4772 ± 0.0004 Å |
c | 28.8269 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2886.65 ± 0.18 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0609 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.0663 |
Weighted residual factors for all reflections included in the refinement | 0.0698 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
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/4083504.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.