Information card for entry 2013533

Structure parameters

• Chemical name: catena-poly[[diaquapyridinenickel(II)]- μ-pyridine-2,3-dicarboxylato-κ^3^N,O^2^:O^3^]
• Formula: C12 H12 N2 Ni O6
• Calculated formula: C12 H12 N2 Ni O6
• SMILES: [Ni]1([n]2ccccc2)([n]2cccc(c2C(=O)O1)C(=O)[O-])([OH2])([OH2])OC(=O)c1ccc[n]2[Ni]([OH2])([OH2])([n]3ccccc3)OC(=O)c12
• Title of publication: A one-dimensional zigzag coordination polymer: <i>catena</i>-poly[[diaquapyridinenickel(II)]-μ-pyridine-2,3-dicarboxylato-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^3^]
• Authors of publication: Zhang, Hong-Tao; Chen, Ya-Qing; Xu, Li; You, Xiao-Zeng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: m373 - m375
• a: 15.24 ± 0.003 Å
• b: 11.424 ± 0.002 Å
• c: 7.667 ± 0.0015 Å
• α: 90°
• β: 96.79 ± 0.03°
• γ: 90°
• Cell volume: 1325.5 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes