Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4069133
Preview
Coordinates | 4069133.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H46 Cl Hf Si4 |
---|---|
Calculated formula | C30 H46 Cl Hf Si4 |
SMILES | [Hf]12345678(Cl)([c]9([Si](C)(C)C)[cH]1[c]2([Si](C)(C)C)[c]13[c]49cccc1)[c]1([Si](C)(C)C)[cH]5[c]6([Si](C)(C)C)[c]27[c]81cccc2 |
Title of publication | Bis(indenyl)hafnium Chemistry: Ligand-Induced Haptotropic Rearrangement and Fundamental Reactivity Studies at a Reduced Hafnium Center |
Authors of publication | Pun, Doris; Leopold, Scott M.; Bradley, Christopher A.; Lobkovsky, Emil; Chirik, Paul J. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 8 |
Pages of publication | 2471 |
a | 19.0873 ± 0.0005 Å |
b | 17.4919 ± 0.0004 Å |
c | 20.8773 ± 0.0006 Å |
α | 90° |
β | 100.88 ± 0.001° |
γ | 90° |
Cell volume | 6845.1 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0654 |
Residual factor for significantly intense reflections | 0.0368 |
Weighted residual factors for significantly intense reflections | 0.0656 |
Weighted residual factors for all reflections included in the refinement | 0.0737 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
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/4069133.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.