Information card for entry 2207350

Structure parameters

• Chemical name: catena-Poly[[triaquanickel(II)]-μ-5-hydroxyisophthalato]
• Formula: C8 H10 Ni O8
• Calculated formula: C8 H10 Ni O8
• SMILES: [Ni]1(OC(=O)c2cc(O)cc(c2)C(=O)[O-])([OH2])([OH2])([OH2])[O]=C(O1)c1cc(O)cc(c1)C(=O)O[Ni]([OH2])([OH2])[OH2]
• Title of publication: <i>catena</i>-Poly[[triaquanickel(II)]-μ-5-hydroxyisophthalato]
• Authors of publication: Sun, Xue-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2256 - m2258
• a: 17.932 ± 0.004 Å
• b: 7.4244 ± 0.0015 Å
• c: 15.067 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2005.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes