Information card for entry 2013437

Structure parameters

• Common name: nickel(II) 2,2'-bipryidine-3,3'-dicarboxylate tetrahydrate
• Chemical name: catena-Poly[[[triaquanickel(II)]-μ-2,2'-bipyridine-3,3'- dicarboxylato-κ^3^N,N':O)] monohydrate]
• Formula: C12 H14 N2 Ni O8
• Calculated formula: C12 H14 N2 Ni O8
• SMILES: [Ni]1([n]2cccc(c2c2[n]1cccc2C(=O)[O-])C(=O)[O-])([OH2])([OH2])([OH2])OC(=O)c1ccc[n]2[Ni]([OH2])([OH2])([OH2])[n]3c(c12)c(ccc3)C(=O)[O-].O.O
• Title of publication: A single-strand helical coordination polymer: <i>catena</i>-poly[[[triaquanickel(II)]-μ-2,2'-bipyridine-3,3'-dicarboxylato-κ^3^<i>N</i>,<i>N</i>':<i>O</i>] monohydrate]
• Authors of publication: Zhang, Hong-Tao; Shao, Ting; Wang, Hua-Qin; You, Xiao-Zeng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: m259 - m261
• a: 9.931 ± 0.002 Å
• b: 9.178 ± 0.0018 Å
• c: 15.97 ± 0.003 Å
• α: 90°
• β: 96.71 ± 0.03°
• γ: 90°
• Cell volume: 1445.6 ± 0.5 ų
• Cell temperature: 298.4 ± 0.2 K
• Ambient diffraction temperature: 298.4 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes