Information card for entry 2224481

Structure parameters

• Chemical name: Bis(μ-2,2'-biimidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^)bis[aquacopper(I)] sulfate
• Formula: C12 H16 Cu2 N8 O6 S
• Calculated formula: C12 H16 Cu2 N8 O6 S
• SMILES: c12c3[nH]cc[n]3[Cu]3[n]4cc[nH]c4c4[nH]cc[n]4[Cu]3[n]2cc[nH]1.S(=O)(=O)([O-])[O-].O.O
• Title of publication: Bis(μ-2,2'-biimidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^)bis[aquacopper(I)] sulfate
• Authors of publication: Zhang, Xiutang; Wei, Peihai; Hu, Bo; Li, Bin; Shi, Congwen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1563
• a: 12.7597 ± 0.0007 Å
• b: 14.8594 ± 0.0007 Å
• c: 10.6375 ± 0.0005 Å
• α: 90°
• β: 114.777 ± 0.003°
• γ: 90°
• Cell volume: 1831.22 ± 0.16 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes