Information card for entry 2212117

Structure parameters

• Chemical name: Triaqua[2-(2-pyridylmethylene)aminoethanesulfonato-κ^3^N,N',O]nickel(II) perchlorate monohydrate
• Formula: C8 H17 Cl N2 Ni O11 S
• Calculated formula: C8 H17 Cl N2 Ni O11 S
• SMILES: [Ni]12(OS(=O)(=O)CC[N]2=Cc2[n]1cccc2)([OH2])([OH2])[OH2].Cl(=O)(=O)(=O)[O-].O
• Title of publication: Triaqua[2-(2-pyridylmethyleneamino)ethanesulfonato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]nickel(II) perchlorate monohydrate
• Authors of publication: Jia-Ming Li; Yi-Min Jiang; Chao-Zhu Li; Shu-Hua Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m447 - m449
• a: 7.818 ± 0.002 Å
• b: 15.019 ± 0.004 Å
• c: 28.156 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3306 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes