Information card for entry 2214005

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaquanickel(II)]-μ-pyridine-2,4-dicarboxylato- [tetraaquanickel(II)]-μ-pyridine-2,4-dicarboxylato] dihydrate]
• Formula: C14 H22 N2 Ni2 O16
• Calculated formula: C14 H22 N2 Ni2 O16
• SMILES: [Ni]12([OH2])([OH2])(OC(=O)c3[n]1ccc(c3)C(=O)O[Ni]([OH2])([OH2])([OH2])[OH2])OC(=O)c1[n]2ccc(c1)C(=O)O[Ni]([OH2])([OH2])([OH2])([OH2])OC(=O)c1cc([n]2cc1)C(=O)O[Ni]12([OH2])([OH2])OC(=O)c2[n]1ccc(c2)C(=O)[O-].O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[diaquanickel(II)]-μ-pyridine-2,4-dicarboxylato-[tetraaquanickel(II)]-μ-pyridine-2,4-dicarboxylato] dihydrate]
• Authors of publication: Liu, Yen-Hsiang; Jhang, Pei-Ci
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1682 - m1682
• a: 5.2115 ± 0.0012 Å
• b: 8.4001 ± 0.0018 Å
• c: 13.107 ± 0.003 Å
• α: 105.13 ± 0.017°
• β: 95.953 ± 0.018°
• γ: 101.584 ± 0.017°
• Cell volume: 535.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes