Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7101664
Preview
Coordinates | 7101664.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H34 Cl4 Cu3 N4 O4 |
---|---|
Calculated formula | C22 H34 Cl4 Cu3 N4 O4 |
SMILES | [Cu]1(Cl)[N](=Cc2c3O[Cu](Oc4c3c(cc2)ccc4C=[N]2[Cu](Cl)[N](CC2)(C)C)(Cl)Cl)CC[N]1(C)C.OC.OC |
Title of publication | A trinucleating ligand based on 1,8-naphthalenediol: synthesis, structural and magnetic properties of a linear Cu(II)Cu(II)Cu(II) complex. |
Authors of publication | Glaser, Thorsten; Liratzis, Ioannis; Fröhlich, Roland; Weyhermüller, Thomas |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2007 |
Journal issue | 4 |
Pages of publication | 356 - 358 |
a | 10.1794 ± 0.0005 Å |
b | 10.7731 ± 0.0005 Å |
c | 13.4671 ± 0.0007 Å |
α | 78.786 ± 0.005° |
β | 87.043 ± 0.005° |
γ | 83.44 ± 0.005° |
Cell volume | 1438.52 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0352 |
Residual factor for significantly intense reflections | 0.0281 |
Weighted residual factors for significantly intense reflections | 0.0658 |
Weighted residual factors for all reflections included in the refinement | 0.0689 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/7101664.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.