Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4079103
Preview
Coordinates | 4079103.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H30 Cl Cu Mg O4 |
---|---|
Calculated formula | C22 H30 Cl Cu Mg O4 |
SMILES | [Mg]1([O](C)c2c(cccc2)[Cu]c2c(cccc2)[O]1C)(Cl)([O]1CCCC1)[O]1CCCC1 |
Title of publication | Functionalized Organocuprates: Structures of Lithium and Magnesium Grignard 2-Methoxyphenylcuprates |
Authors of publication | Bomparola, Roberta; Davies, Robert P.; Lal, Steven; White, Andrew J. P. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 22 |
Pages of publication | 7877 |
a | 7.9461 ± 0.0015 Å |
b | 8.5104 ± 0.0007 Å |
c | 33.255 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2248.9 ± 0.5 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0662 |
Residual factor for significantly intense reflections | 0.061 |
Weighted residual factors for significantly intense reflections | 0.145 |
Weighted residual factors for all reflections included in the refinement | 0.1467 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.179 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4079103.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.