Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4064584
Preview
Coordinates | 4064584.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H39 O Sc Te |
---|---|
Calculated formula | C28 H39 O Sc Te |
SMILES | [Te]([Sc]12345678([O]9CCCC9)([c]9([c]1([c]2([c]3([cH]49)C)C)C)C)[c]1([c]5([c]6([c]7([cH]81)C)C)C)C)c1ccccc1 |
Title of publication | σ Bond Metathesis Reactivity of Allyl Scandium Metallocenes with Diphenyldichalcogenides, PhEEPh (E = S, Se, Te) |
Authors of publication | Demir, Selvan; Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 11 |
Pages of publication | 3083 |
a | 9.357 ± 0.0003 Å |
b | 16.848 ± 0.0006 Å |
c | 18.5223 ± 0.0006 Å |
α | 67.1803 ± 0.0004° |
β | 79.3325 ± 0.0004° |
γ | 76.4365 ± 0.0004° |
Cell volume | 2601.89 ± 0.15 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0256 |
Residual factor for significantly intense reflections | 0.0217 |
Weighted residual factors for significantly intense reflections | 0.0527 |
Weighted residual factors for all reflections included in the refinement | 0.0549 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
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/4064584.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.