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Information card for entry 7054673
Preview
| Coordinates | 7054673.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H18 Cu2 N10 O6 S2 |
|---|---|
| Calculated formula | C24 H18 Cu2 N10 O6 S2 |
| SMILES | c12c(cccc1)S(=O)(=O)O[Cu]13([N]2=Cc2[n]1cccc2)[N](=N#N)[Cu]12([N](c4c(cccc4)S(=O)(=O)O2)=Cc2[n]1cccc2)[N]3=N#N |
| Title of publication | Sulfonated Schiff base dinuclear and polymeric copper(ii) complexes: crystal structures, magnetic properties and catalytic application in Henry reaction |
| Authors of publication | Hazra, Susanta; Karmakar, Anirban; Guedes da Silva, Maria de Fátima C.; Dlháň, L'ubor; Boča, Roman; Pombeiro, Armando J. L. |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 5 |
| Pages of publication | 3424 |
| a | 13.3215 ± 0.001 Å |
| b | 12.3215 ± 0.0009 Å |
| c | 16.7717 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2752.9 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0472 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0946 |
| Weighted residual factors for all reflections included in the refinement | 0.0989 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180100 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/46. |
7054673.cif |
| 138812 | 2015-06-07 | cif/ Updating files of 7054673, 7054674, 7054675 Original log message: Adding full bibliography for 7054673--7054675.cif. |
7054673.cif |
| 131865 | 2015-02-14 | cif/ Adding structures of 7054673, 7054674, 7054675 via cif-deposit CGI script. |
7054673.cif |
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