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Information card for entry 1564850
Preview
| Coordinates | 1564850.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H20 Cu N2 O12 S2 |
|---|---|
| Calculated formula | C14 H20 Cu N2 O12 S2 |
| SMILES | C1(=O)c2ccccc2S(=O)(=O)N1[Cu]([OH2])([OH2])(N1C(=O)c2ccccc2S1(=O)=O)([OH2])[OH2].O.O |
| Title of publication | Copper(II) Prevents the Saccarine-Dialkylcyanamide Coupling by Forming Mononuclear (Saccharinate)(Dialkylcyanamide)copper(II) Complexes |
| Authors of publication | Toikka, Yulia N.; Spiridonova, Dar’ya V.; Novikov, Alexander S.; Bokach, Nadezhda A. |
| Journal of publication | Inorganics |
| Year of publication | 2021 |
| Journal volume | 9 |
| Journal issue | 9 |
| Pages of publication | 69 |
| a | 8.3226 ± 0.0001 Å |
| b | 16.3127 ± 0.0002 Å |
| c | 7.228 ± 0.0001 Å |
| α | 90° |
| β | 100.912 ± 0.001° |
| γ | 90° |
| Cell volume | 963.56 ± 0.02 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0256 |
| Residual factor for significantly intense reflections | 0.0254 |
| Weighted residual factors for significantly intense reflections | 0.0706 |
| Weighted residual factors for all reflections included in the refinement | 0.0707 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269812 (current) | 2021-10-07 | cif/ Adding structures of 1564850 via cif-deposit CGI script. |
1564850.cif |
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Users of the data should acknowledge the original authors of the
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