Information card for entry 2210009

Structure parameters

• Chemical name: Poly[diaquabis(μ~2~-4,4'-bipyridine)bis(μ~3~-5,5'-dicarboxybiphenyl- 2,2'-dicarboxylato)dicobalt(II) tetrahydrate]
• Formula: C52 H44 Co2 N4 O22
• Calculated formula: C52 H38 Co2 N4 O22
• Title of publication: Poly[diaquabis(μ~2~-4,4'-bipyridine)bis(μ~3~-5,5'-dicarboxybiphenyl-2,2'-dicarboxylato)dicobalt(II) tetrahydrate]
• Authors of publication: Xu, Ji-Yang; Contreras, Damacio S.; Fronczek, Frank R.; Chen, Banglin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1906 - m1908
• a: 9.877 ± 0.004 Å
• b: 11.393 ± 0.004 Å
• c: 21.763 ± 0.01 Å
• α: 90°
• β: 93.25 ± 0.02°
• γ: 90°
• Cell volume: 2445 ± 1.7 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.145
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes