Information card for entry 2223495

Structure parameters

• Chemical name: Tetraaqua(2,2'-bipyridine-5,5'-dicarboxylato-κ^2^<i>N</i>,<i>N</i>') nickel(II) dihydrate
• Formula: C12 H18 N2 Ni O10
• Calculated formula: C12 H18 N2 Ni O10
• SMILES: c1(c[n]2[Ni]([n]3c(c2cc1)ccc(C(=O)[O-])c3)([OH2])([OH2])([OH2])[OH2])C(=O)[O-].O.O
• Title of publication: Tetraaqua(2,2'-bipyridine-5,5'-dicarboxylato-κ^2^<i>N</i>,<i>N</i>')nickel(II) dihydrate
• Authors of publication: Yang, Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: m1207
• a: 12.4787 ± 0.0002 Å
• b: 9.8152 ± 0.0002 Å
• c: 12.6533 ± 0.0002 Å
• α: 90°
• β: 92.107 ± 0.002°
• γ: 90°
• Cell volume: 1548.74 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0328
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes