Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7055380
Preview
Coordinates | 7055380.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H18 N6 O3 S Zn |
---|---|
Calculated formula | C24 H18 N6 O3 S Zn |
SMILES | [Zn]123(SC(Nc4ccccc4)=N[N]3=Cc3c(O1)ccc(N(=O)=O)c3)[n]1ccccc1c1[n]2cccc1 |
Title of publication | Synthesis, spectroscopy, structures and antimicrobial activity of mixed-ligand zinc(ii) complexes of 5-nitro-salicylaldehyde thiosemicarbazones |
Authors of publication | Indoria, Shikha; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Hundal, Geeta; Jasinski, Jerry P. |
Journal of publication | New J. Chem. |
Year of publication | 2016 |
Journal volume | 40 |
Journal issue | 4 |
Pages of publication | 3642 |
a | 9.7377 ± 0.0013 Å |
b | 10.8604 ± 0.0012 Å |
c | 11.9599 ± 0.0015 Å |
α | 67.51 ± 0.011° |
β | 76.142 ± 0.011° |
γ | 76.077 ± 0.011° |
Cell volume | 1118.9 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0416 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.1045 |
Weighted residual factors for all reflections included in the refinement | 0.1078 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
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/7055380.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.