Information card for entry 2232247

Structure parameters

• Common name: Bis[3,5-bis(2-pyridyl)pyrazol]-<i>trans</i>-bishydrogensulfato-dicopper(II) dimethanol solvate
• Chemical name: Bis[μ-3,5-bis(2-pyridyl)pyrazolato]bis(hydrogensulfato)dicopper(II) methanol disolvate
• Formula: C28 H28 Cu2 N8 O10 S2
• Calculated formula: C28 H28 Cu2 N8 O10 S2
• SMILES: c1cccc2c3n4[Cu]5([n]12)(OS(=O)(=O)O)[n]1c(cc2c6cccc[n]6[Cu]6(n12)([n]4c(c3)c1[n]6cccc1)OS(=O)(=O)O)c1[n]5cccc1.OC.OC
• Title of publication: Bis[μ-3,5-bis(2-pyridyl)pyrazolato]bis(hydrogensulfato)dicopper(II) methanol disolvate
• Authors of publication: Mishima, Akio; Fuyuhiro, Akira; Kumagai, Hitoshi; Kawata, Satoshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1523 - m1524
• a: 6.0909 ± 0.0003 Å
• b: 16.0581 ± 0.0006 Å
• c: 15.6579 ± 0.0007 Å
• α: 90°
• β: 95.2044 ± 0.0014°
• γ: 90°
• Cell volume: 1525.16 ± 0.12 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes