Information card for entry 2220084

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II)]- μ-biphenyl-2,2'-dicarboxylato-κ^2^<i>O</i>:<i>O</i>']
• Formula: C24 H20 N2 Ni O6
• Calculated formula: C24 H20 N2 Ni O6
• SMILES: [Ni]1([n]2c(c3cccc[n]13)cccc2)(OC(=O)c1c(c2c(C(=O)[O-])cccc2)cccc1)([OH2])([OH2])OC(=O)c1ccccc1c1ccccc1C(=O)O[Ni]1([n]2ccccc2c2cccc[n]12)([OH2])[OH2]
• Title of publication: <i>catena</i>-Poly[[diaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II)]-μ-biphenyl-2,2'-dicarboxylato-κ^2^<i>O</i>:<i>O</i>']
• Authors of publication: An, Zhe; Niu, Xian-Chun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1547
• a: 10.9087 ± 0.0015 Å
• b: 11.214 ± 0.002 Å
• c: 18.129 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2217.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes