Information card for entry 2213709

Structure parameters

• Chemical name: Bis(4-aminobenzenesulfonato-κN)tetraaquanickel(II)
• Formula: C12 H20 N2 Ni O10 S2
• Calculated formula: C12 H20 N2 Ni O10 S2
• SMILES: c1(ccc(cc1)S(=O)(=O)[O-])[NH2][Ni]([NH2]c1ccc(cc1)S(=O)(=O)[O-])([OH2])([OH2])([OH2])[OH2]
• Title of publication: Bis(4-aminobenzenesulfonato-κ<i>N</i>)tetraaquanickel(II)
• Authors of publication: Jun Zhao; Zhen-Hua Dang; Yong-Jing Wang; Ya-Zhen Ye; Li Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1773 - m1773
• a: 20.8 ± 0.011 Å
• b: 6.45 ± 0.003 Å
• c: 13.566 ± 0.007 Å
• α: 90°
• β: 106.593 ± 0.009°
• γ: 90°
• Cell volume: 1744.2 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes