Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4086176
Preview
Coordinates | 4086176.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | jonaw65 |
---|---|
Chemical name | Cp*RhCl(4-MeOC6H3-Py) |
Formula | C22 H25 Cl N O Rh |
Calculated formula | C22 H25 Cl N O Rh |
SMILES | [Rh]12345(Cl)([n]6c(c7c1cc(cc7)OC)cccc6)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C |
Title of publication | Mechanistic Insights of a Concerted Metalation‒Deprotonation Reaction with [Cp*RhCl2]2 |
Authors of publication | Walsh, Aaron P.; Jones, William D. |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 13 |
Pages of publication | 3400 |
a | 14.3174 ± 0.0013 Å |
b | 16.2657 ± 0.0014 Å |
c | 8.1709 ± 0.0007 Å |
α | 90° |
β | 91.4942 ± 0.0018° |
γ | 90° |
Cell volume | 1902.2 ± 0.3 Å3 |
Cell temperature | 100 ± 0.5 K |
Ambient diffraction temperature | 100 ± 0.5 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0237 |
Residual factor for significantly intense reflections | 0.0226 |
Weighted residual factors for significantly intense reflections | 0.0499 |
Weighted residual factors for all reflections included in the refinement | 0.0504 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
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/4086176.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.