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Information card for entry 4331501
Preview
| Coordinates | 4331501.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H34 Cu N8 O10 S4 |
|---|---|
| Calculated formula | C30 H34 Cu N8 O10 S4 |
| SMILES | OC.[Cu](N1c2ccc(cc2SC1=NS(=O)(=O)c1ccc(C)cc1)N(=O)=O)(N1c2ccc(cc2SC1=NS(=O)(=O)c1ccc(C)cc1)N(=O)=O)([NH3])[NH3].OC |
| 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 | 8.041 ± 0.001 Å |
| b | 8.176 ± 0.001 Å |
| c | 14.451 ± 0.001 Å |
| α | 90.904 ± 0.001° |
| β | 105.877 ± 0.001° |
| γ | 92.568 ± 0.001° |
| Cell volume | 912.51 ± 0.17 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0601 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.116 |
| Weighted residual factors for all reflections included in the refinement | 0.1252 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| 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. |
4331501.cif |
| 120063 | 2014-07-11 | cif/ Updating files of 4331499, 4331500, 4331501 Original log message: Adding full bibliography for 4331499--4331501.cif. |
4331501.cif |
| 97661 | 2014-01-29 | cif/ Adding structures of 4331501 via cif-deposit CGI script. |
4331501.cif |
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