Information card for entry 2229901

Structure parameters

• Chemical name: <i>catena</i>-Poly[[tetraaqua[<i>trans</i>-1,2-bis(4-pyridyl)ethene- κ^2^<i>N</i>:<i>N</i>']nickel(II)] dinitrate]
• Formula: C12 H18 N4 Ni O10
• Calculated formula: C12 H18 N4 Ni O10
• SMILES: [Ni]([OH2])([OH2])([OH2])([OH2])([n]1ccc(cc1)/C=C/c1cc[n](cc1)[Ni]([OH2])([OH2])([OH2])[OH2])[n]1ccc(cc1)/C=C/c1ccncc1.O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[tetraaqua[<i>trans</i>-1,2-bis(4-pyridyl)ethene-κ^2^<i>N</i>:<i>N</i>']nickel(II)] dinitrate]
• Authors of publication: Hyun, Min Young; Kim, Pan-Gi; Kim, Cheal; Kim, Youngmee
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m390
• a: 7.415 ± 0.003 Å
• b: 11.426 ± 0.004 Å
• c: 10.95 ± 0.004 Å
• α: 90°
• β: 97.307 ± 0.007°
• γ: 90°
• Cell volume: 920.2 ± 0.6 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: 0.1001
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.2378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes