Information card for entry 2209772

Structure parameters

• Chemical name: Bis(4-aminobenzenesulfonato-κN)bis(N,N-dimethylformamide-κO)copper(II)
• Formula: C18 H26 Cu N4 O8 S2
• Calculated formula: C18 H26 Cu N4 O8 S2
• SMILES: [Cu]1([O]=CN(C)C)([O]=CN(C)C)(OS(=O)(=O)c2ccc(cc2)[NH2][Cu]([O]=CN(C)C)([O]=CN(C)C)OS(=O)(=O)c2ccc([NH2]1)cc2)([NH2]c1ccc(cc1)S(=O)(=O)[O-])OS(=O)(=O)c1ccc(cc1)N
• Title of publication: Bis(4-aminobenzenesulfonato-κ<i>N</i>)bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)copper(II)
• Authors of publication: Fu, Yun-Long; Sun, Min-Na; Zhi, Xiao-Fang; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1952 - m1953
• a: 7.1168 ± 0.0005 Å
• b: 8.4491 ± 0.0006 Å
• c: 9.5294 ± 0.0006 Å
• α: 87.033 ± 0.001°
• β: 77.344 ± 0.001°
• γ: 84.337 ± 0.001°
• Cell volume: 556.09 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes