Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7025670
Preview
Coordinates | 7025670.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H70 Ce2 S2 |
---|---|
Calculated formula | C52 H70 Ce2 S2 |
SMILES | [c]12([c]3([c]4([c]5([c]1(C)[Ce]167892345([S](c2ccccc2)[Ce]2345%10%11%12%13([c]%14([c]5([c]4([c]3([c]2%14C)C)C)C)C)([S]9c2ccccc2)[c]2([c]%13([c]%12([c]%11([c]%102C)C)C)C)C)[c]2([c]1([c]6([c]7([c]82C)C)C)C)C)C)C)C)C |
Title of publication | Sigma bond metathesis with pentamethylcyclopentadienyl ligands in sterically crowded (C5Me5)3M complexes. |
Authors of publication | Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2010 |
Journal volume | 39 |
Journal issue | 29 |
Pages of publication | 6767 - 6773 |
a | 10.3287 ± 0.0007 Å |
b | 11.7979 ± 0.0008 Å |
c | 19.4736 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2373 ± 0.3 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 4 |
Space group number | 34 |
Hermann-Mauguin space group symbol | P n n 2 |
Hall space group symbol | P 2 -2n |
Residual factor for all reflections | 0.0218 |
Residual factor for significantly intense reflections | 0.0207 |
Weighted residual factors for significantly intense reflections | 0.0571 |
Weighted residual factors for all reflections included in the refinement | 0.0584 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
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/7025670.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.