Information card for entry 2236803

Structure parameters

• Chemical name: Bis(2-{[bis(dimethylamino)methylidene]amino-κ<i>N</i>}benzenesulfonato-κ<i>N</i>)copper(II)
• Formula: C22 H32 Cu N6 O6 S2
• Calculated formula: C22 H32 Cu N6 O6 S2
• SMILES: [Cu]12(OS(=O)(=O)c3c([N]1=C(N(C)C)N(C)C)cccc3)OS(=O)(=O)c1c([N]2=C(N(C)C)N(C)C)cccc1
• Title of publication: Bis(2-{[bis(dimethylamino)methylidene]amino-κ<i>N</i>}benzenesulfonato-κ<i>N</i>)copper(II)
• Authors of publication: Neuba, Adam; Flörke, Ulrich; Henkel, Gerald
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1482
• a: 19.94 ± 0.003 Å
• b: 12.2947 ± 0.0014 Å
• c: 10.9508 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2684.7 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0625
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes