Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7229983
Preview
Coordinates | 7229983.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [CuL30aI] |
---|---|
Formula | C13 H15 Cu I N2 O3 |
Calculated formula | C13 H15 Cu I N2 O3 |
SMILES | c1cccc2C[N]3[Cu]([n]12)(OC(=C(C=3)C(=O)OCC)C)I |
Title of publication | Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties |
Authors of publication | Dankhoff, Katja; Weber, Birgit |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 6 |
Pages of publication | 818 |
a | 7.8179 ± 0.0003 Å |
b | 14.6683 ± 0.0006 Å |
c | 13.0905 ± 0.0004 Å |
α | 90° |
β | 92.391 ± 0.003° |
γ | 90° |
Cell volume | 1499.85 ± 0.1 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0273 |
Residual factor for significantly intense reflections | 0.0205 |
Weighted residual factors for significantly intense reflections | 0.0458 |
Weighted residual factors for all reflections included in the refinement | 0.0468 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.936 |
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/7229983.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.