Information card for entry 2208189

Structure parameters

• Chemical name: catena-poly[[aquatripyridinenickel(II)]-μ-isophthalato]
• Formula: C23 H21 N3 Ni O5
• Calculated formula: C23 H21 N3 Ni O5
• SMILES: [Ni]([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)(OC(=O)c1cccc(c1)C(=O)[O-])([OH2])OC(=O)c1cccc(C(=O)O[Ni]([n]2ccccc2)([n]2ccccc2)([n]2ccccc2)[OH2])c1
• Title of publication: A one-dimensional nickel(II) coordination polymer with pyridine and isophthalate
• Authors of publication: Yong Wang; Zhong-Min Su; Xiang-Rong Hao; Kui-Zhan Shao; Ya-Hui Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m322 - m324
• a: 9.0723 ± 0.0005 Å
• b: 15.1897 ± 0.0008 Å
• c: 16.6524 ± 0.0009 Å
• α: 90°
• β: 91.886 ± 0.001°
• γ: 90°
• Cell volume: 2293.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0893
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes