Information card for entry 2226354

Structure parameters

• Chemical name: <i>catena</i>-Poly[nickel(II)-bis(μ-2-aminoethanesulfonato- κ^3^<i>N</i>,<i>O</i>:<i>O</i>';κ^3^<i>O</i>:<i>N</i>,<i>O</i>')]
• Formula: C4 H12 N2 Ni O6 S2
• Calculated formula: C4 H12 N2 Ni O6 S2
• SMILES: [Ni]123([O]=S(=O)(O[Ni]4[O]=S(O2)(=O)CC[NH2]4)CC[NH2]3)([NH2]CCS([O-])(=O)=O)OS(=O)(=O)CC[NH2]1
• Title of publication: <i>catena</i>-Poly[nickel(II)-bis(μ-2-aminoethanesulfonato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>';κ^3^<i>O</i>:<i>N</i>,<i>O</i>')]
• Authors of publication: Yang, Feng; Wu, Zhi-Hong; Cai, Jin-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m748
• a: 5.1003 ± 0.0017 Å
• b: 8.231 ± 0.003 Å
• c: 11.673 ± 0.004 Å
• α: 90°
• β: 97.492 ± 0.004°
• γ: 90°
• Cell volume: 485.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0292
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes