Information card for entry 2241256

Structure parameters

• Common name: Nickel(II) Polymer
• Chemical name: <i>catena</i>-Poly[[[triaqua(4-cyanobenzoato-κ<i>O</i>)nickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 4-cyanobenzoate]
• Formula: C26 H22 N4 Ni O7
• Calculated formula: C26 H22 N4 Ni O7
• SMILES: [Ni]([n]1ccc(cc1)c1cc[n](cc1)[Ni]([OH2])([OH2])([OH2])([n]1ccc(cc1)c1ccncc1)OC(=O)c1ccc(C#N)cc1)([OH2])(OC(=O)c1ccc(C#N)cc1)([OH2])[OH2].c1(ccc(C(=O)[O-])cc1)C#N.c1(ccc(C(=O)[O-])cc1)C#N
• Title of publication: Crystal structure of <i>catena</i>-poly[[[triaqua(4-cyanobenzoato-κ<i>O</i>)nickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 4-cyanobenzoate]
• Authors of publication: Morales-Tapia, Alfredo A.; Colorado-Peralta, Raúl; Duarte-Hernández, Angélica M.; Flores-Parra, Angelina; Rivera, José María
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: m197 - m198
• a: 7.176 ± 0.005 Å
• b: 21.373 ± 0.009 Å
• c: 17.032 ± 0.009 Å
• α: 90°
• β: 110.32 ± 0.03°
• γ: 90°
• Cell volume: 2450 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2005
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes