Information card for entry 1564848

Structure parameters

• Formula: C17 H22 Cu N4 O10 S2
• Calculated formula: C17 H22 Cu N4 O10 S2
• SMILES: C1(=O)c2ccccc2S(=O)(=O)N1[Cu]([N]#CN(C)C)([OH2])([OH2])N1C(=O)c2ccccc2S1(=O)=O.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: 23.4161 ± 0.0003 Å
• b: 13.2985 ± 0.0001 Å
• c: 7.2391 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2254.25 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No