Information card for entry 2230256

Structure parameters

• Chemical name: Tetraaquabis[2-(4-pyridylsulfanyl)acetato-κ<i>N</i>]nickel(II)
• Formula: C14 H20 N2 Ni O8 S2
• Calculated formula: C14 H20 N2 Ni O8 S2
• SMILES: c1(cc[n](cc1)[Ni]([n]1ccc(cc1)SCC(=O)[O-])([OH2])([OH2])([OH2])[OH2])SCC(=O)[O-]
• Title of publication: Tetraaquabis[2-(4-pyridylsulfanyl)acetato-κ<i>N</i>]nickel(II)
• Authors of publication: Wang, Jing-Yi; Wang, Xiu-Guang; Zhao, Xiao-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m795
• a: 6.3577 ± 0.0004 Å
• b: 7.033 ± 0.0005 Å
• c: 11.7624 ± 0.0008 Å
• α: 92.713 ± 0.001°
• β: 103.44 ± 0.001°
• γ: 115.12 ± 0.001°
• Cell volume: 456.75 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes