Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4331499
Preview
| Coordinates | 4331499.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H20 Cl2 Cu N6 O4 S4 |
|---|---|
| Calculated formula | C28 H20 Cl2 Cu N6 O4 S4 |
| SMILES | [Cu]1(OS(=O)(=Nc2sc3cc(Cl)ccc3[n]12)c1ccc(cc1)C)([n]1c(sc2cc(Cl)ccc12)N=S([O-])(=O)c1ccc(cc1)C)([NH3])[NH3] |
| Title of publication | Comparison of protective effects against reactive oxygen species of mononuclear and dinuclear Cu(II) complexes with N-substituted benzothiazolesulfonamides. |
| Authors of publication | González-Alvarez, Marta; Alzuet, Gloria; Borrás, Joaquín; del Castillo Agudo, Lucas; García-Granda, Santiago; Montejo-Bernardo, José Manuel |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Journal issue | 25 |
| Pages of publication | 9424 - 9433 |
| a | 12.704 ± 0.001 Å |
| b | 12.275 ± 0.001 Å |
| c | 10.57 ± 0.001 Å |
| α | 90° |
| β | 105.879 ± 0.003° |
| γ | 90° |
| Cell volume | 1585.4 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0774 |
| Residual factor for significantly intense reflections | 0.0759 |
| Weighted residual factors for significantly intense reflections | 0.1944 |
| Weighted residual factors for all reflections included in the refinement | 0.1959 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179417 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/14. |
4331499.cif |
| 120063 | 2014-07-11 | cif/ Updating files of 4331499, 4331500, 4331501 Original log message: Adding full bibliography for 4331499--4331501.cif. |
4331499.cif |
| 97658 | 2014-01-29 | cif/ Adding structures of 4331499 via cif-deposit CGI script. |
4331499.cif |
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.