Information card for entry 2219542

Structure parameters

• Chemical name: Di-μ-sulfato-bis{[bis(3,5-dimethylpyrazol-1-yl)methane]copper(II)}
• Formula: C22 H32 Cu2 N8 O8 S2
• Calculated formula: C22 H32 Cu2 N8 O8 S2
• SMILES: c1(cc(C)n2[n]1[Cu]13([n]4c(cc(n4C2)C)C)[O]=S(O1)(=O)O[Cu]12([n]4c(cc(C)n4Cn4c(cc([n]14)C)C)C)[O]=S(O2)(=O)O3)C
• Title of publication: Di-μ-sulfato-bis{[bis(3,5-dimethylpyrazol-1-yl)methane]copper(II)}
• Authors of publication: Wu, YanLi; Wang, XingCong; You, XiuLi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1242
• a: 7.5293 ± 0.0015 Å
• b: 10.734 ± 0.002 Å
• c: 17.74 ± 0.004 Å
• α: 90°
• β: 99.73 ± 0.03°
• γ: 90°
• Cell volume: 1413.1 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes