Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7056776
Preview
Coordinates | 7056776.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H27 Cl Cu N6 O3 S |
---|---|
Calculated formula | C33 H27 Cl Cu N6 O3 S |
SMILES | OC.[Cu]12(Cl)([n]3c4c(ncc3N2S(=O)(=O)c2ccc(N)cc2)cccc4)[n]2c(c3[n]1c1c(cc3)cccc1)ccc1c2cccc1 |
Title of publication | Crystal structure, Hirshfeld surface analysis, spectroscopic and biological studies on sulfamethazine and sulfaquinoxaline ternary complexes with 2,2′-biquinoline |
Authors of publication | Villa-Pérez, C.; Cadavid-Vargas, J. F.; Di Virgilio, A. L.; Echeverría, G. A.; Camí, G. E.; Soria, D. B. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2018 |
Journal volume | 42 |
Journal issue | 2 |
Pages of publication | 891 |
a | 10.0919 ± 0.0009 Å |
b | 10.1848 ± 0.0006 Å |
c | 17.0127 ± 0.0011 Å |
α | 81.383 ± 0.005° |
β | 75.712 ± 0.007° |
γ | 63.935 ± 0.007° |
Cell volume | 1520.5 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0635 |
Residual factor for significantly intense reflections | 0.0446 |
Weighted residual factors for significantly intense reflections | 0.1055 |
Weighted residual factors for all reflections included in the refinement | 0.1199 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation probe | x-ray |
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/7056776.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.