Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4064597
Preview
Coordinates | 4064597.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C49 H63 Cl N6 Si2 |
---|---|
Calculated formula | C49 H62.998 Cl1.002 N6 Si2 |
Title of publication | Formation of a Unsymmetrical Ring System via C‒H Bond Activation of Diazobenzene by Stable N-Heterocyclic Chlorosilylene (PhC(NtBu)2SiCl) |
Authors of publication | Khan, Shabana; Sen, Sakya S.; Michel, Reent; Kratzert, Daniel; Roesky, Herbert W.; Stalke, Dietmar |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 10 |
Pages of publication | 2643 |
a | 9.3427 ± 0.0011 Å |
b | 10.7563 ± 0.0013 Å |
c | 12.2182 ± 0.0015 Å |
α | 94.31 ± 0.002° |
β | 97.304 ± 0.002° |
γ | 108.196 ± 0.002° |
Cell volume | 1148.4 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0646 |
Residual factor for significantly intense reflections | 0.0611 |
Weighted residual factors for significantly intense reflections | 0.1343 |
Weighted residual factors for all reflections included in the refinement | 0.1357 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.196 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4064597.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.