Information card for entry 2014686

Structure parameters

• Chemical name: poly[[diaquadicadmium(II)-di-μ~2~-4,4'-bipyridyl-di-μ~2~-2-sulfonatobenzoato] dihydrate]
• Formula: C34 H32 Cd2 N4 O14 S2
• Calculated formula: C34 H32 Cd2 N4 O14 S2
• Title of publication: A novel three-dimensional supramolecular coordination polymer: poly[[diaquadicadmium(II)-di-μ~2~-4,4'-bipyridyl-di-μ~2~-2-sulfonatobenzoato] dihydrate]
• Authors of publication: Su, Wei; Bi, Wen-Hua; Li, Xing; Cao, Rong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m16 - m18
• a: 16.888 ± 0.005 Å
• b: 11.722 ± 0.005 Å
• c: 20.258 ± 0.007 Å
• α: 90°
• β: 112.483 ± 0.005°
• γ: 90°
• Cell volume: 3705 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes