Information card for entry 2018288

Structure parameters

• Chemical name: Poly[4,4'-(propane-1,3-diyl)dipyridinium bis{tetraaquabis(μ~2~-benzene-1,2,4,5-tetracarboxylato)bis[μ~2~-1,3- bis(4-pyridyl)propane]dicobalt(II)} pentahydrate]
• Formula: C59 H68 Co2 N6 O25
• Calculated formula: C59 H68 Co2 N6 O25
• Title of publication: Poly[4,4'-(propane-1,3-diyl)dipyridinium bis{tetraaquabis(μ~2~-5-carboxybenzene-1,2,4-tricarboxylato)bis[μ~2~-1,3-bis(4-pyridyl)propane]dicobalt(II)} pentahydrate]
• Authors of publication: Atria, Ana María; Corsini, Gino; Garland, Maria Teresa; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m367 - m370
• a: 18.068 ± 0.004 Å
• b: 9.346 ± 0.002 Å
• c: 18.209 ± 0.004 Å
• α: 90°
• β: 96.421 ± 0.006°
• γ: 90°
• Cell volume: 3055.5 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.057
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes