Information card for entry 2225564

Structure parameters

• Chemical name: Di-μ-sulfato-κ^4^<i>O</i>:<i>O</i>'-bis{bis[3-(2-pyridyl)pyrazole]cobalt(II)}
• Formula: C32 H28 Co2 N12 O8 S2
• Calculated formula: C32 H28 Co2 N12 O8 S2
• SMILES: c1c2c3cccc[n]3[Co]34([n]2[nH]c1)([n]1[nH]ccc1c1[n]3cccc1)OS(=O)(=O)O[Co]12([n]3c(cc[nH]3)c3cccc[n]13)([n]1[nH]ccc1c1[n]2cccc1)OS(=O)(=O)O4
• Title of publication: Di-μ-sulfato-κ^4^<i>O</i>:<i>O</i>'-bis{bis[3-(2-pyridyl)pyrazole]cobalt(II)}
• Authors of publication: Lin, Pei-Xi; Yang, Gui-Bin; An, Zhe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m375
• a: 8.318 ± 0.005 Å
• b: 9.879 ± 0.005 Å
• c: 11.807 ± 0.006 Å
• α: 100.342 ± 0.008°
• β: 98.82 ± 0.009°
• γ: 99.302 ± 0.008°
• Cell volume: 925.1 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0433
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes