Information card for entry 2214461

Structure parameters

• Chemical name: Tetraamminediaquacopper(II) 4-amino-2,5-dichlorobenzenesulfonate
• Formula: C12 H24 Cl4 Cu N6 O8 S2
• Calculated formula: C12 H24 Cl4 Cu N6 O8 S2
• SMILES: c1(c(cc(c(c1)Cl)N)Cl)S(=O)(=O)[O-].[Cu]([NH3])([NH3])([NH3])[NH3].O.c1(c(cc(c(c1)Cl)N)Cl)S(=O)(=O)[O-].O
• Title of publication: Tetraamminediaquacopper(II) 4-amino-2,5-dichlorobenzenesulfonate
• Authors of publication: Wen-Li Zhang; Jian-Fang Ma; Hui Jiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m2001 - m2001
• a: 7.367 ± 0.006 Å
• b: 7.38 ± 0.005 Å
• c: 12.689 ± 0.01 Å
• α: 96.22 ± 0.04°
• β: 94.62 ± 0.04°
• γ: 118.33 ± 0.03°
• Cell volume: 596.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes