Information card for entry 2211383

Structure parameters

• Chemical name: catena-Poly[[[diaquacadmium(II)]-μ-2,2'-bipyridine-6,6'-dicarboxylato] dihydrate]
• Formula: C12 H10 Cd N2 O8
• Calculated formula: C12 H10 Cd N2 O8
• SMILES: [Cd]123([n]4c(cccc4c4cccc(C(=O)O3)[n]14)C(=O)O2)([OH2])([OH2])[O]=C1c2cccc3c4cccc5C(=O)O[Cd]([n]45)([n]23)(O1)([OH2])[OH2].O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[diaquacadmium(II)]-μ-2,2'-bipyridine-6,6'-dicarboxylato] dihydrate]
• Authors of publication: Knight, James; Amoroso, Angelo; Edwards, Peter; Ooi, Li-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3306 - m3308
• a: 8.665 ± 0.005 Å
• b: 17.392 ± 0.005 Å
• c: 18.812 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2835 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes