Information card for entry 2230334

Structure parameters

• Chemical name: Diaqua(2,2'-bipyridine-6,6'-dicarboxylato)nickel(II)
• Formula: C12 H10 N2 Ni O6
• Calculated formula: C12 H10 N2 Ni O6
• SMILES: [n]12[Ni]34(OC(=O)c1cccc2c1cccc(C(=O)O4)[n]31)([OH2])[OH2]
• Title of publication: Diaqua(2,2'-bipyridine-6,6'-dicarboxylato)nickel(II)
• Authors of publication: Hu, Shui; Wen, ShiPeng; Hu, Huai-Ming; Liu, Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m718
• a: 7.1056 ± 0.0009 Å
• b: 11.3608 ± 0.0015 Å
• c: 15.3334 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1237.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes