Information card for entry 2238279

Structure parameters

• Chemical name: Poly[[diaquatris(μ~2~-4,4'-bipyridine)bis[μ~2~-2-(carboxylatomethylsulfanyl)nicotinato]dicobalt(II)] 1.3-hydrate]
• Formula: C46 H40.6 Co2 N8 O11.3 S2
• Calculated formula: C46 H38 Co2 N8 O11.3 S2
• Title of publication: Poly[[diaquatris(μ~2~-4,4'-bipyridine)bis[μ~2~-2-(carboxylatomethylsulfanyl)nicotinato]dicobalt(II)] 1.3-hydrate]
• Authors of publication: Li, Rui-Qin; Wang, Xiao-Juan; Feng, Yun-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: m371
• a: 10.2211 ± 0.0001 Å
• b: 17.1355 ± 0.0002 Å
• c: 16.4142 ± 0.0002 Å
• α: 90°
• β: 125.484 ± 0.001°
• γ: 90°
• Cell volume: 2340.92 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes