Information card for entry 1564850

Structure parameters

• 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 ų
• 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