Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7055477
Preview
Coordinates | 7055477.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H26 Cl4 Cu N4 O2 S2 |
---|---|
Calculated formula | C24 H26 Cl4 Cu N4 O2 S2 |
SMILES | [Cu]12([S]=C(N=C(O1)c1c(Cl)cc(Cl)cc1)N(CC)CC)[S]=C(N=C(O2)c1ccc(Cl)cc1Cl)N(CC)CC |
Title of publication | Structural diversity in aroylthiourea copper complexes ‒ formation and biological evaluation of [Cu(i)(μ-S)SCl]2, cis-Cu(ii)S2O2, trans-Cu(ii)S2O2and Cu(i)S3cores |
Authors of publication | Selvakumaran, Nagamani; Sandhiya, Lakshmanan; Bhuvanesh, Nattamai S. P.; Senthilkumar, Kittusamy; Karvembu, Ramasamy |
Journal of publication | New J. Chem. |
Year of publication | 2016 |
Journal volume | 40 |
Journal issue | 6 |
Pages of publication | 5401 |
a | 8.5233 ± 0.0006 Å |
b | 13.2721 ± 0.0009 Å |
c | 13.6992 ± 0.0009 Å |
α | 70.31 ± 0.004° |
β | 82.388 ± 0.004° |
γ | 74.666 ± 0.004° |
Cell volume | 1405.52 ± 0.17 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0419 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.1011 |
Weighted residual factors for all reflections included in the refinement | 0.1023 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.132 |
Diffraction radiation wavelength | 1.54178 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/7055477.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.