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Information card for entry 4331500
Preview
| Coordinates | 4331500.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H22 Cl2 Cu N6 O4 S4 |
|---|---|
| Calculated formula | C26 H22 Cl2 Cu N6 O4 S4 |
| SMILES | [Cu]([NH3])([NH3])(n1c(sc2c1ccc(Cl)c2)=NS(=O)(=O)c1ccccc1)n1c(sc2c1ccc(Cl)c2)=NS(=O)(=O)c1ccccc1 |
| 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 | 12.533 ± 0.001 Å |
| b | 12.203 ± 0.001 Å |
| c | 10.466 ± 0.001 Å |
| α | 90 ± 0.01° |
| β | 111.616 ± 0.01° |
| γ | 90 ± 0.01° |
| Cell volume | 1488.1 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 a 1 |
| Hall space group symbol | P -2ya |
| Residual factor for all reflections | 0.0486 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.1222 |
| Weighted residual factors for all reflections included in the refinement | 0.1237 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.175 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179418 (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 4/33/15. |
4331500.cif |
| 120063 | 2014-07-11 | cif/ Updating files of 4331499, 4331500, 4331501 Original log message: Adding full bibliography for 4331499--4331501.cif. |
4331500.cif |
| 97660 | 2014-01-29 | cif/ Adding structures of 4331500 via cif-deposit CGI script. |
4331500.cif |
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