Information card for entry 2019216

Structure parameters

• Chemical name: Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamido]diamminecopper(II)
• Formula: C20 H24 Cu N10 O4 S2
• Calculated formula: C20 H24 Cu N10 O4 S2
• SMILES: [Cu]1([n]2c(nccc2)N=S([O-])(=O)c2ccc(N)cc2)([n]2c(nccc2)N1S(=O)(=O)c1ccc(N)cc1)([NH3])[NH3]
• Title of publication: Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamido]diamminecopper(II): aqua or ammine ligands?
• Authors of publication: Pan, Fangfang; Kalf, Irmgard; Englert, Ulli
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: 1221 - 1224
• a: 13.662 ± 0.001 Å
• b: 12.6329 ± 0.001 Å
• c: 13.9651 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2410.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No