Information card for entry 2231853

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[tetraaquanickel(II)]-μ-4,4'-bipyridyl- κ^2^<i>N</i>:<i>N</i>'] 3,3'-(<i>p</i>-phenylene)diacrylate]
• Formula: C22 H24 N2 Ni O8
• Calculated formula: C22 H24 N2 Ni O8
• SMILES: [Ni]([OH2])([OH2])([OH2])([OH2])([n]1ccc(cc1)c1cc[n](cc1)[Ni]([OH2])([OH2])([OH2])[OH2])[n]1ccc(c2ccncc2)cc1.O=C([O-])/C=C/c1ccc(cc1)/C=C/C(=O)[O-].O=C([O-])/C=C/c1ccc(cc1)/C=C/C(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[[tetraaquanickel(II)]-μ-4,4'-bipyridyl-κ^2^<i>N</i>:<i>N</i>'] 3,3'-(<i>p</i>-phenylene)diacrylate]
• Authors of publication: Li, Ni-Ya
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1397
• a: 7.0867 ± 0.0014 Å
• b: 7.3614 ± 0.0015 Å
• c: 10.418 ± 0.002 Å
• α: 95.51 ± 0.03°
• β: 102.51 ± 0.03°
• γ: 97.27 ± 0.03°
• Cell volume: 522 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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 all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes