Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4105737
Preview
Coordinates | 4105737.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H63 N3 Si2 U |
---|---|
Calculated formula | C36 H63 N3 Si2 U |
SMILES | [U]123456789%10%11([N](=C%11C[Si]([c]%115[c]1([c]2([c]3([c]4%11C)C)C)C)(C)C)C(C)(C)C)N(/C(=N/C(C)C)C[Si]([c]1%10[c]6([c]7([c]8([c]91C)C)C)C)(C)C)C(C)C |
Title of publication | Insertion, Isomerization, and Cascade Reactivity of the Tethered Silylalkyl Uranium Metallocene (η5-C5Me4SiMe2CH2-κC)2U |
Authors of publication | Nathan A. Siladke; Joseph W. Ziller; William J. Evans |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 3507 - 3516 |
a | 10.8031 ± 0.0006 Å |
b | 12.6268 ± 0.0007 Å |
c | 14.8665 ± 0.0008 Å |
α | 92.118 ± 0.0006° |
β | 91.9633 ± 0.0006° |
γ | 112.882 ± 0.0005° |
Cell volume | 1864.45 ± 0.18 Å3 |
Cell temperature | 148 ± 2 K |
Ambient diffraction temperature | 148 ± 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 | 0.0162 |
Residual factor for significantly intense reflections | 0.0158 |
Weighted residual factors for significantly intense reflections | 0.0399 |
Weighted residual factors for all reflections included in the refinement | 0.0401 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
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/4105737.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.