Information card for entry 1564849

Structure parameters

• Formula: C22 H24 Cu N2 O8 S2
• Calculated formula: C22 H24 Cu N2 O8 S2
• 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: 11.5109 ± 0.0001 Å
• b: 21.0713 ± 0.0002 Å
• c: 20.3473 ± 0.0003 Å
• α: 90°
• β: 98.719 ± 0.001°
• γ: 90°
• Cell volume: 4878.2 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No