Information card for entry 2212765

Structure parameters

• Chemical name: catena-Poly[[[tetraaquanickel(II)]-μ~2~-4,4'-bipyridine-κ^2^N:N'] bis(4-aminobenzensulfonate) dihydrate]
• Formula: C22 H32 N4 Ni O12 S2
• Calculated formula: C22 H30 N4 Ni O12 S2
• SMILES: [Ni]([OH2])([OH2])([OH2])([OH2])[n]1ccc(cc1)c1cc[n](cc1)[Ni]([OH2])([OH2])([OH2])([OH2])[n]1ccc(cc1)c1ccncc1.S(=O)(=O)([O-])c1ccc(N)cc1.S(=O)(=O)([O-])c1ccc(N)cc1.O.O.S(=O)(=O)([O-])c1ccc(N)cc1.S(=O)(=O)([O-])c1ccc(N)cc1.O.O
• Title of publication: <i>catena</i>-Poly[[[tetraaquanickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] bis(4-aminobenzensulfonate) dihydrate]
• Authors of publication: Zhang, Xiao; Yi, Zhi-Hui; Yu, Xiao-Yang; Yang, Qing-Feng; Xu, Ji-Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m1142 - m1144
• a: 11.288 ± 0.002 Å
• b: 8.0129 ± 0.0016 Å
• c: 15.702 ± 0.003 Å
• α: 90°
• β: 92.77 ± 0.03°
• γ: 90°
• Cell volume: 1418.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes